smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120434 718257775 /nfs/dbraw/zinc/25/77/75/718257775.db2.gz DZPDWLDTYNSENT-ZBFHGGJFSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120434 718257778 /nfs/dbraw/zinc/25/77/78/718257778.db2.gz DZPDWLDTYNSENT-ZBFHGGJFSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082537 718760651 /nfs/dbraw/zinc/76/06/51/718760651.db2.gz DFIMZBXQONOFMQ-SWLSCSKDSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082537 718760652 /nfs/dbraw/zinc/76/06/52/718760652.db2.gz DFIMZBXQONOFMQ-SWLSCSKDSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315133 719115170 /nfs/dbraw/zinc/11/51/70/719115170.db2.gz NUJNICSLFJJWSQ-CZUORRHYSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315133 719115173 /nfs/dbraw/zinc/11/51/73/719115173.db2.gz NUJNICSLFJJWSQ-CZUORRHYSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442245 719165129 /nfs/dbraw/zinc/16/51/29/719165129.db2.gz SAMAAYGNGMNHJO-CVEARBPZSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442245 719165132 /nfs/dbraw/zinc/16/51/32/719165132.db2.gz SAMAAYGNGMNHJO-CVEARBPZSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567814 719553261 /nfs/dbraw/zinc/55/32/61/719553261.db2.gz XUWPCZQZLMDTMN-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567814 719553264 /nfs/dbraw/zinc/55/32/64/719553264.db2.gz XUWPCZQZLMDTMN-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000968538132 719653534 /nfs/dbraw/zinc/65/35/34/719653534.db2.gz HJXXRCJKFRXWJK-MRXNPFEDSA-N 2 2 323.400 1.605 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000949246745 719973149 /nfs/dbraw/zinc/97/31/49/719973149.db2.gz ONMSUSLPQFICTB-UHFFFAOYSA-N 2 2 311.389 1.601 20 30 DDEDLP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970097339 720625561 /nfs/dbraw/zinc/62/55/61/720625561.db2.gz BATZDMHDXSPIBK-SNVBAGLBSA-N 2 2 313.199 1.051 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000951366347 721004285 /nfs/dbraw/zinc/00/42/85/721004285.db2.gz XPDQQYIGWCNQFH-QGZVFWFLSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000951366347 721004291 /nfs/dbraw/zinc/00/42/91/721004291.db2.gz XPDQQYIGWCNQFH-QGZVFWFLSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001026365573 737426227 /nfs/dbraw/zinc/42/62/27/737426227.db2.gz YDFQGAWLPKUMMU-KWCYVHTRSA-N 2 2 308.813 1.531 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021574696 733330290 /nfs/dbraw/zinc/33/02/90/733330290.db2.gz DFFHUWWZZRZLGW-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021574696 733330296 /nfs/dbraw/zinc/33/02/96/733330296.db2.gz DFFHUWWZZRZLGW-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021678969 733435491 /nfs/dbraw/zinc/43/54/91/733435491.db2.gz KHNVLKYDRGBLIF-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021678969 733435493 /nfs/dbraw/zinc/43/54/93/733435493.db2.gz KHNVLKYDRGBLIF-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721998 733485136 /nfs/dbraw/zinc/48/51/36/733485136.db2.gz KERZHMHATRDINZ-GDBMZVCRSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721998 733485138 /nfs/dbraw/zinc/48/51/38/733485138.db2.gz KERZHMHATRDINZ-GDBMZVCRSA-N 2 2 300.406 1.207 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203204251 734489128 /nfs/dbraw/zinc/48/91/28/734489128.db2.gz SZZJTNCRRLKPGR-CABCVRRESA-N 2 2 316.449 1.946 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158875 735065152 /nfs/dbraw/zinc/06/51/52/735065152.db2.gz LBBFWLODLFKVHL-IYBDPMFKSA-N 2 2 309.373 1.192 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449079 735241606 /nfs/dbraw/zinc/24/16/06/735241606.db2.gz GVFINHWXEQHONX-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449079 735241610 /nfs/dbraw/zinc/24/16/10/735241610.db2.gz GVFINHWXEQHONX-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452134 735247593 /nfs/dbraw/zinc/24/75/93/735247593.db2.gz RGLPASQWFPPDQI-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452134 735247597 /nfs/dbraw/zinc/24/75/97/735247597.db2.gz RGLPASQWFPPDQI-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516083 735893180 /nfs/dbraw/zinc/89/31/80/735893180.db2.gz GHYRPVQHHKYKIM-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516083 735893182 /nfs/dbraw/zinc/89/31/82/735893182.db2.gz GHYRPVQHHKYKIM-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775558 737193162 /nfs/dbraw/zinc/19/31/62/737193162.db2.gz INVJISDMIUHBCF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775558 737193163 /nfs/dbraw/zinc/19/31/63/737193163.db2.gz INVJISDMIUHBCF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]12 ZINC001026293678 737308815 /nfs/dbraw/zinc/30/88/15/737308815.db2.gz HWPSHPMQRQAEJM-BZUAXINKSA-N 2 2 316.449 1.939 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955381 737409287 /nfs/dbraw/zinc/40/92/87/737409287.db2.gz WMVWJTINRDESOA-UKRRQHHQSA-N 2 2 302.422 1.358 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468640 738322131 /nfs/dbraw/zinc/32/21/31/738322131.db2.gz MUGYPISSTICRIZ-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468640 738322132 /nfs/dbraw/zinc/32/21/32/738322132.db2.gz MUGYPISSTICRIZ-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130402 739073163 /nfs/dbraw/zinc/07/31/63/739073163.db2.gz NOIJKUGZDUETLR-KGLIPLIRSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028130402 739073166 /nfs/dbraw/zinc/07/31/66/739073166.db2.gz NOIJKUGZDUETLR-KGLIPLIRSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC ZINC001087606970 740675076 /nfs/dbraw/zinc/67/50/76/740675076.db2.gz CGJREHIKPFZKJB-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087606970 740675078 /nfs/dbraw/zinc/67/50/78/740675078.db2.gz CGJREHIKPFZKJB-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1CC ZINC001087606970 740675082 /nfs/dbraw/zinc/67/50/82/740675082.db2.gz CGJREHIKPFZKJB-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1CC ZINC001087606970 740675085 /nfs/dbraw/zinc/67/50/85/740675085.db2.gz CGJREHIKPFZKJB-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135297 741053661 /nfs/dbraw/zinc/05/36/61/741053661.db2.gz FEDYCHNWWBLIBQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135297 741053663 /nfs/dbraw/zinc/05/36/63/741053663.db2.gz FEDYCHNWWBLIBQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135297 741053666 /nfs/dbraw/zinc/05/36/66/741053666.db2.gz FEDYCHNWWBLIBQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135297 741053669 /nfs/dbraw/zinc/05/36/69/741053669.db2.gz FEDYCHNWWBLIBQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001088391361 741457565 /nfs/dbraw/zinc/45/75/65/741457565.db2.gz JGUGDIYGBBMUBC-HZPDHXFCSA-N 2 2 302.422 1.828 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567363 741841459 /nfs/dbraw/zinc/84/14/59/741841459.db2.gz JKPSXQLKSZPEEZ-ZBFHGGJFSA-N 2 2 310.401 1.859 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567363 741841463 /nfs/dbraw/zinc/84/14/63/741841463.db2.gz JKPSXQLKSZPEEZ-ZBFHGGJFSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998288116 751682582 /nfs/dbraw/zinc/68/25/82/751682582.db2.gz ABRZTNZRBNACQK-RYUDHWBXSA-N 2 2 316.327 1.507 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240016 742613278 /nfs/dbraw/zinc/61/32/78/742613278.db2.gz HDHYVRBLYUTTTM-QLFBSQMISA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240016 742613280 /nfs/dbraw/zinc/61/32/80/742613280.db2.gz HDHYVRBLYUTTTM-QLFBSQMISA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240016 742613283 /nfs/dbraw/zinc/61/32/83/742613283.db2.gz HDHYVRBLYUTTTM-QLFBSQMISA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240016 742613284 /nfs/dbraw/zinc/61/32/84/742613284.db2.gz HDHYVRBLYUTTTM-QLFBSQMISA-N 2 2 311.857 1.756 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184532877 744055277 /nfs/dbraw/zinc/05/52/77/744055277.db2.gz CKXBBVQYXIGDMM-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532877 744055281 /nfs/dbraw/zinc/05/52/81/744055281.db2.gz CKXBBVQYXIGDMM-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035822912 751902232 /nfs/dbraw/zinc/90/22/32/751902232.db2.gz QJSUPNAXWGKDTF-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158990 744673492 /nfs/dbraw/zinc/67/34/92/744673492.db2.gz XWEPQEKMTPLQHK-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158990 744673493 /nfs/dbraw/zinc/67/34/93/744673493.db2.gz XWEPQEKMTPLQHK-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158990 744673495 /nfs/dbraw/zinc/67/34/95/744673495.db2.gz XWEPQEKMTPLQHK-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158990 744673497 /nfs/dbraw/zinc/67/34/97/744673497.db2.gz XWEPQEKMTPLQHK-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190176017 745139744 /nfs/dbraw/zinc/13/97/44/745139744.db2.gz MOBVKPDTHMQVNC-MRXNPFEDSA-N 2 2 310.401 1.812 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190176017 745139748 /nfs/dbraw/zinc/13/97/48/745139748.db2.gz MOBVKPDTHMQVNC-MRXNPFEDSA-N 2 2 310.401 1.812 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992833734 745236150 /nfs/dbraw/zinc/23/61/50/745236150.db2.gz LUBZRDWCJXNWBP-NWANDNLSSA-N 2 2 322.840 1.921 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992868006 745252661 /nfs/dbraw/zinc/25/26/61/745252661.db2.gz CEFRVLLWAWKHFT-DJIMGWMZSA-N 2 2 314.433 1.203 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342868 745615976 /nfs/dbraw/zinc/61/59/76/745615976.db2.gz GZQDXJKWVBYHQR-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197793807 747266652 /nfs/dbraw/zinc/26/66/52/747266652.db2.gz BIROXKWGFIMGMI-SFHVURJKSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197793807 747266657 /nfs/dbraw/zinc/26/66/57/747266657.db2.gz BIROXKWGFIMGMI-SFHVURJKSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197793807 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C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001097879569 758051609 /nfs/dbraw/zinc/05/16/09/758051609.db2.gz VZIHHSVTRPIMNU-RYPNDVFKSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104335 758155008 /nfs/dbraw/zinc/15/50/08/758155008.db2.gz OEWWQGODFVTRTG-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104335 758155010 /nfs/dbraw/zinc/15/50/10/758155010.db2.gz OEWWQGODFVTRTG-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053846352 758876321 /nfs/dbraw/zinc/87/63/21/758876321.db2.gz CBQHMCYJGGUYMH-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053846352 758876327 /nfs/dbraw/zinc/87/63/27/758876327.db2.gz CBQHMCYJGGUYMH-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233451 759323739 /nfs/dbraw/zinc/32/37/39/759323739.db2.gz LPSFRQOTJLCYMP-KRWDZBQOSA-N 2 2 300.406 1.208 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233451 759323745 /nfs/dbraw/zinc/32/37/45/759323745.db2.gz LPSFRQOTJLCYMP-KRWDZBQOSA-N 2 2 300.406 1.208 20 30 DDEDLP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259056 759357079 /nfs/dbraw/zinc/35/70/79/759357079.db2.gz KKMQTDYRTXLSGM-SFHVURJKSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259056 759357090 /nfs/dbraw/zinc/35/70/90/759357090.db2.gz KKMQTDYRTXLSGM-SFHVURJKSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259056 759357102 /nfs/dbraw/zinc/35/71/02/759357102.db2.gz KKMQTDYRTXLSGM-SFHVURJKSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001054259056 759357114 /nfs/dbraw/zinc/35/71/14/759357114.db2.gz KKMQTDYRTXLSGM-SFHVURJKSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270120 759373313 /nfs/dbraw/zinc/37/33/13/759373313.db2.gz CPVBFRAMGRTYEG-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270120 759373325 /nfs/dbraw/zinc/37/33/25/759373325.db2.gz CPVBFRAMGRTYEG-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270120 759373332 /nfs/dbraw/zinc/37/33/32/759373332.db2.gz CPVBFRAMGRTYEG-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270120 759373340 /nfs/dbraw/zinc/37/33/40/759373340.db2.gz CPVBFRAMGRTYEG-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054280033 759388321 /nfs/dbraw/zinc/38/83/21/759388321.db2.gz WVJMTGGPPAWASY-UHFFFAOYSA-N 2 2 311.429 1.593 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054280033 759388329 /nfs/dbraw/zinc/38/83/29/759388329.db2.gz WVJMTGGPPAWASY-UHFFFAOYSA-N 2 2 311.429 1.593 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001019062338 759554522 /nfs/dbraw/zinc/55/45/22/759554522.db2.gz PQELMFWIPNXKEK-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001019062338 759554529 /nfs/dbraw/zinc/55/45/29/759554529.db2.gz PQELMFWIPNXKEK-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085681241 759998123 /nfs/dbraw/zinc/99/81/23/759998123.db2.gz VOSQIHVIXIHPFV-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085681241 759998130 /nfs/dbraw/zinc/99/81/30/759998130.db2.gz VOSQIHVIXIHPFV-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)CC1 ZINC001039042026 761681234 /nfs/dbraw/zinc/68/12/34/761681234.db2.gz LFDSNJPVSWTJDJ-HZPDHXFCSA-N 2 2 309.429 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C=CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001050559371 763754769 /nfs/dbraw/zinc/75/47/69/763754769.db2.gz HQXSZLDWWPOXPU-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001050575562 763770193 /nfs/dbraw/zinc/77/01/93/763770193.db2.gz LLIGPQGDHZTTNE-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001050590307 763793335 /nfs/dbraw/zinc/79/33/35/763793335.db2.gz LCSDFADWOUAXRJ-UHFFFAOYSA-N 2 2 308.385 1.506 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042314592 763904550 /nfs/dbraw/zinc/90/45/50/763904550.db2.gz STXAKPJYZKIEHN-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042314592 763904558 /nfs/dbraw/zinc/90/45/58/763904558.db2.gz STXAKPJYZKIEHN-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731925 763972883 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CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502880 765894585 /nfs/dbraw/zinc/89/45/85/765894585.db2.gz OQMUJFNUBWOONO-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502880 765894587 /nfs/dbraw/zinc/89/45/87/765894587.db2.gz OQMUJFNUBWOONO-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553517 766396778 /nfs/dbraw/zinc/39/67/78/766396778.db2.gz WALFVGGJMKFMPW-ZDUSSCGKSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001096034795 766399206 /nfs/dbraw/zinc/39/92/06/766399206.db2.gz VZIHHSVTRPIMNU-ZSAUSMIDSA-N 2 2 300.406 1.431 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001096034795 766399216 /nfs/dbraw/zinc/39/92/16/766399216.db2.gz VZIHHSVTRPIMNU-ZSAUSMIDSA-N 2 2 300.406 1.431 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001129897911 767048419 /nfs/dbraw/zinc/04/84/19/767048419.db2.gz RWMBKCLPNCHTOT-CHWSQXEVSA-N 2 2 315.402 1.352 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046424266 767545565 /nfs/dbraw/zinc/54/55/65/767545565.db2.gz BHUBFIZJQPFELF-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046424266 767545570 /nfs/dbraw/zinc/54/55/70/767545570.db2.gz BHUBFIZJQPFELF-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046609562 767735589 /nfs/dbraw/zinc/73/55/89/767735589.db2.gz JPTHIYOTZQWANH-DYVFJYSZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046609562 767735591 /nfs/dbraw/zinc/73/55/91/767735591.db2.gz JPTHIYOTZQWANH-DYVFJYSZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134671 769519422 /nfs/dbraw/zinc/51/94/22/769519422.db2.gz GANVKADIIAONLG-LSDHHAIUSA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133371590 769754400 /nfs/dbraw/zinc/75/44/00/769754400.db2.gz SXMZZDYTSUNDSZ-JSGCOSHPSA-N 2 2 310.829 1.710 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870164 770202254 /nfs/dbraw/zinc/20/22/54/770202254.db2.gz ZVYLKUJKGHJBEW-HOTGVXAUSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870164 770202259 /nfs/dbraw/zinc/20/22/59/770202259.db2.gz ZVYLKUJKGHJBEW-HOTGVXAUSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950459 773740492 /nfs/dbraw/zinc/74/04/92/773740492.db2.gz BKQQBZAAQMRVAS-HNNXBMFYSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408048 773903749 /nfs/dbraw/zinc/90/37/49/773903749.db2.gz PFUSMCURXLIXFX-CVEARBPZSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408048 773903754 /nfs/dbraw/zinc/90/37/54/773903754.db2.gz PFUSMCURXLIXFX-CVEARBPZSA-N 2 2 318.421 1.069 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004126 773907075 /nfs/dbraw/zinc/90/70/75/773907075.db2.gz WAJHMEGQNBMZTK-GLJUWKHASA-N 2 2 312.417 1.243 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004126 773907078 /nfs/dbraw/zinc/90/70/78/773907078.db2.gz WAJHMEGQNBMZTK-GLJUWKHASA-N 2 2 312.417 1.243 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001074719551 774083832 /nfs/dbraw/zinc/08/38/32/774083832.db2.gz PWCBSNOILOMESU-UBHSHLNASA-N 2 2 302.422 1.588 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001074719551 774083835 /nfs/dbraw/zinc/08/38/35/774083835.db2.gz PWCBSNOILOMESU-UBHSHLNASA-N 2 2 302.422 1.588 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597277 774902203 /nfs/dbraw/zinc/90/22/03/774902203.db2.gz YQDMTQNZYFSGPI-OAHLLOKOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597277 774902209 /nfs/dbraw/zinc/90/22/09/774902209.db2.gz YQDMTQNZYFSGPI-OAHLLOKOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036881223 775945511 /nfs/dbraw/zinc/94/55/11/775945511.db2.gz RKPGYRVAQSFGGO-GDBMZVCRSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036881223 775945522 /nfs/dbraw/zinc/94/55/22/775945522.db2.gz RKPGYRVAQSFGGO-GDBMZVCRSA-N 2 2 302.422 1.760 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882346 775948730 /nfs/dbraw/zinc/94/87/30/775948730.db2.gz KLWHQYDWGMCQHH-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882346 775948734 /nfs/dbraw/zinc/94/87/34/775948734.db2.gz KLWHQYDWGMCQHH-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595996 776361558 /nfs/dbraw/zinc/36/15/58/776361558.db2.gz IMLKLZVCSSELTC-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986574 777766442 /nfs/dbraw/zinc/76/64/42/777766442.db2.gz AOWDAERGDAQGIX-HUUCEWRRSA-N 2 2 316.449 1.632 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986574 777766448 /nfs/dbraw/zinc/76/64/48/777766448.db2.gz AOWDAERGDAQGIX-HUUCEWRRSA-N 2 2 316.449 1.632 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675096 778207899 /nfs/dbraw/zinc/20/78/99/778207899.db2.gz CGDCZPLUNSANCM-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018632 779247314 /nfs/dbraw/zinc/24/73/14/779247314.db2.gz FLJONBLQFYKPDF-KKUMJFAQSA-N 2 2 300.406 1.048 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111730897 779453292 /nfs/dbraw/zinc/45/32/92/779453292.db2.gz FQFWCCNGMHWWFQ-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111730897 779453295 /nfs/dbraw/zinc/45/32/95/779453295.db2.gz FQFWCCNGMHWWFQ-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120611 779887669 /nfs/dbraw/zinc/88/76/69/779887669.db2.gz BWEXFSRNJIVWFP-VQFNDLOPSA-N 2 2 318.465 1.979 20 30 DDEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120611 779887678 /nfs/dbraw/zinc/88/76/78/779887678.db2.gz BWEXFSRNJIVWFP-VQFNDLOPSA-N 2 2 318.465 1.979 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591843 780252887 /nfs/dbraw/zinc/25/28/87/780252887.db2.gz HWMQMLLCHVCXPN-UHFFFAOYSA-N 2 2 315.417 1.675 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115656016 780311737 /nfs/dbraw/zinc/31/17/37/780311737.db2.gz XNONVTXWJBCQIS-UHFFFAOYSA-N 2 2 302.422 1.705 20 30 DDEDLP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266568087 836480555 /nfs/dbraw/zinc/48/05/55/836480555.db2.gz DLVYESAAYZIMCR-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266568087 836480563 /nfs/dbraw/zinc/48/05/63/836480563.db2.gz DLVYESAAYZIMCR-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+](CCC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001266568087 836480569 /nfs/dbraw/zinc/48/05/69/836480569.db2.gz DLVYESAAYZIMCR-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+](CCC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001266568087 836480574 /nfs/dbraw/zinc/48/05/74/836480574.db2.gz DLVYESAAYZIMCR-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266601740 836519109 /nfs/dbraw/zinc/51/91/09/836519109.db2.gz LQGJGVLKWVXYGH-KKUMJFAQSA-N 2 2 302.422 1.649 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267489563 838170068 /nfs/dbraw/zinc/17/00/68/838170068.db2.gz UZQVUQCAXOFDLW-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023791 839408851 /nfs/dbraw/zinc/40/88/51/839408851.db2.gz QMNDAKBMQHGBOW-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023791 839408861 /nfs/dbraw/zinc/40/88/61/839408861.db2.gz QMNDAKBMQHGBOW-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001326382145 861317467 /nfs/dbraw/zinc/31/74/67/861317467.db2.gz ONLFOROYJBHESP-HZPDHXFCSA-N 2 2 302.422 1.686 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001149558286 861708665 /nfs/dbraw/zinc/70/86/65/861708665.db2.gz HDSGIGBXNHTTNN-UHFFFAOYSA-N 2 2 311.389 1.130 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364176 848418055 /nfs/dbraw/zinc/41/80/55/848418055.db2.gz IRQBJEKBJBMHGG-INIZCTEOSA-N 2 2 317.433 1.949 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273487517 851020406 /nfs/dbraw/zinc/02/04/06/851020406.db2.gz LVKOAFJGUHZCOU-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273487517 851020412 /nfs/dbraw/zinc/02/04/12/851020412.db2.gz LVKOAFJGUHZCOU-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001274840510 852631417 /nfs/dbraw/zinc/63/14/17/852631417.db2.gz GWHHBMBDTGTUEU-INIZCTEOSA-N 2 2 310.401 1.419 20 30 DDEDLP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275416544 853092878 /nfs/dbraw/zinc/09/28/78/853092878.db2.gz WNHYYEMIAJXAEZ-CVEARBPZSA-N 2 2 324.428 1.877 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618901 863459815 /nfs/dbraw/zinc/45/98/15/863459815.db2.gz URNRCJAXSNROOO-GDBMZVCRSA-N 2 2 304.438 1.745 20 30 DDEDLP C=C(C)C[NH2+]CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001276011231 854151852 /nfs/dbraw/zinc/15/18/52/854151852.db2.gz GCHXHJOAXGOBBD-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001151392935 862754126 /nfs/dbraw/zinc/75/41/26/862754126.db2.gz SYZIVJLSZDCSIA-UHFFFAOYSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553170 856967384 /nfs/dbraw/zinc/96/73/84/856967384.db2.gz SJMUPWITMDDXND-IRXDYDNUSA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553170 856967393 /nfs/dbraw/zinc/96/73/93/856967393.db2.gz SJMUPWITMDDXND-IRXDYDNUSA-N 2 2 308.385 1.875 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870500 857825349 /nfs/dbraw/zinc/82/53/49/857825349.db2.gz LFPQXCVUYLAVDU-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870500 857825362 /nfs/dbraw/zinc/82/53/62/857825362.db2.gz LFPQXCVUYLAVDU-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139530492 860426951 /nfs/dbraw/zinc/42/69/51/860426951.db2.gz FHWRROSPMMNDQP-OAHLLOKOSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139530492 860426958 /nfs/dbraw/zinc/42/69/58/860426958.db2.gz FHWRROSPMMNDQP-OAHLLOKOSA-N 2 2 318.396 1.340 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)s1 ZINC001153345538 863838786 /nfs/dbraw/zinc/83/87/86/863838786.db2.gz ZSJHASXMFKLHIY-UHFFFAOYSA-N 2 2 317.418 1.502 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001330852783 864654950 /nfs/dbraw/zinc/65/49/50/864654950.db2.gz SMJONCMEBWAERM-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001332400643 865814027 /nfs/dbraw/zinc/81/40/27/865814027.db2.gz XYCUOFDBKSKXIH-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001332634473 866003236 /nfs/dbraw/zinc/00/32/36/866003236.db2.gz WWUQMQPELAXQOS-OAHLLOKOSA-N 2 2 316.405 1.193 20 30 DDEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001332634473 866003246 /nfs/dbraw/zinc/00/32/46/866003246.db2.gz WWUQMQPELAXQOS-OAHLLOKOSA-N 2 2 316.405 1.193 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749002 866097126 /nfs/dbraw/zinc/09/71/26/866097126.db2.gz SYNBINIRPIMEHY-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160749002 866097139 /nfs/dbraw/zinc/09/71/39/866097139.db2.gz SYNBINIRPIMEHY-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001319849367 866340929 /nfs/dbraw/zinc/34/09/29/866340929.db2.gz OKLSBHMYLPVMSE-GDBMZVCRSA-N 2 2 315.417 1.483 20 30 DDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001323994183 866997597 /nfs/dbraw/zinc/99/75/97/866997597.db2.gz BSIHKBZBXCOPFR-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805283 867006799 /nfs/dbraw/zinc/00/67/99/867006799.db2.gz CIVOGXSXNSGKEV-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805283 867006805 /nfs/dbraw/zinc/00/68/05/867006805.db2.gz CIVOGXSXNSGKEV-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001321431950 867588008 /nfs/dbraw/zinc/58/80/08/867588008.db2.gz KXSOYMKVJIPQAC-SNAWJCMRSA-N 2 2 308.385 1.197 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001325109220 867776564 /nfs/dbraw/zinc/77/65/64/867776564.db2.gz AHHRUGYZPOHGJP-KRWDZBQOSA-N 2 2 314.389 1.077 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001325109220 867776577 /nfs/dbraw/zinc/77/65/77/867776577.db2.gz AHHRUGYZPOHGJP-KRWDZBQOSA-N 2 2 314.389 1.077 20 30 DDEDLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001163044054 868028532 /nfs/dbraw/zinc/02/85/32/868028532.db2.gz GPKVZQHRFHTMHF-UHFFFAOYSA-N 2 2 324.428 1.500 20 30 DDEDLP Cc1[nH+]c2c(n1-c1nc(Cl)c(F)cc1C#N)CC[NH2+]CC2 ZINC001165352386 869539355 /nfs/dbraw/zinc/53/93/55/869539355.db2.gz RUWIRGPPMGFPNQ-UHFFFAOYSA-N 2 2 305.744 1.928 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317020404 870127514 /nfs/dbraw/zinc/12/75/14/870127514.db2.gz WLASLHUZDUQCHC-LSDHHAIUSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001317043995 870156682 /nfs/dbraw/zinc/15/66/82/870156682.db2.gz FLVUTLDTZUDHEB-WCXIOVBPSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001317043995 870156687 /nfs/dbraw/zinc/15/66/87/870156687.db2.gz FLVUTLDTZUDHEB-WCXIOVBPSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317043995 870156696 /nfs/dbraw/zinc/15/66/96/870156696.db2.gz FLVUTLDTZUDHEB-WCXIOVBPSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317043995 870156702 /nfs/dbraw/zinc/15/67/02/870156702.db2.gz FLVUTLDTZUDHEB-WCXIOVBPSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001317191962 870445712 /nfs/dbraw/zinc/44/57/12/870445712.db2.gz AXBIDKWJPHFABG-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679761 870708803 /nfs/dbraw/zinc/70/88/03/870708803.db2.gz ZCHMUWNHVKBXKT-CVEARBPZSA-N 2 2 314.433 1.393 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001316693666 871212840 /nfs/dbraw/zinc/21/28/40/871212840.db2.gz UCXFWTPRCXNANU-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853456 871593513 /nfs/dbraw/zinc/59/35/13/871593513.db2.gz LMEAMGYEQDHIKU-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853456 871593517 /nfs/dbraw/zinc/59/35/17/871593517.db2.gz LMEAMGYEQDHIKU-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853456 871593520 /nfs/dbraw/zinc/59/35/20/871593520.db2.gz LMEAMGYEQDHIKU-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853456 871593525 /nfs/dbraw/zinc/59/35/25/871593525.db2.gz LMEAMGYEQDHIKU-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318442461 872049072 /nfs/dbraw/zinc/04/90/72/872049072.db2.gz LVNWEQVHIYPHOI-CQSZACIVSA-N 2 2 320.437 1.423 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318442461 872049090 /nfs/dbraw/zinc/04/90/90/872049090.db2.gz LVNWEQVHIYPHOI-CQSZACIVSA-N 2 2 320.437 1.423 20 30 DDEDLP C#CC[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001319006462 872393770 /nfs/dbraw/zinc/39/37/70/872393770.db2.gz MWZJXVMNZKCTIC-UHFFFAOYSA-N 2 2 310.401 1.392 20 30 DDEDLP C=CCn1nnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001345107904 873259644 /nfs/dbraw/zinc/25/96/44/873259644.db2.gz GGEFERBHLDZUED-IHRRRGAJSA-N 2 2 322.482 1.615 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001345107904 873259652 /nfs/dbraw/zinc/25/96/52/873259652.db2.gz GGEFERBHLDZUED-IHRRRGAJSA-N 2 2 322.482 1.615 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386946 874095207 /nfs/dbraw/zinc/09/52/07/874095207.db2.gz LQYKZFXEHPFYPH-CVEARBPZSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630877 877002808 /nfs/dbraw/zinc/00/28/08/877002808.db2.gz SLLJVZOJDVYOJJ-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230018851 884280412 /nfs/dbraw/zinc/28/04/12/884280412.db2.gz HFFWQOIIWGSMEW-HZPDHXFCSA-N 2 2 302.422 1.393 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191972 890128612 /nfs/dbraw/zinc/12/86/12/890128612.db2.gz RBWOOPVEXNBNHY-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191972 890128620 /nfs/dbraw/zinc/12/86/20/890128620.db2.gz RBWOOPVEXNBNHY-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP N#Cc1cc(Cl)c(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1Cl ZINC001249129290 893835465 /nfs/dbraw/zinc/83/54/65/893835465.db2.gz KQKLJSVQFWSFHO-SSDOTTSWSA-N 2 2 312.160 1.744 20 30 DDEDLP C[NH+](C)CCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426371 893983548 /nfs/dbraw/zinc/98/35/48/893983548.db2.gz NQBRJXUEDUKDAF-UHFFFAOYSA-N 2 2 311.433 1.719 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528864 897465884 /nfs/dbraw/zinc/46/58/84/897465884.db2.gz MSGLYXQWRDZKBW-FSDCSDTHSA-N 2 2 317.433 1.865 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528864 897465892 /nfs/dbraw/zinc/46/58/92/897465892.db2.gz MSGLYXQWRDZKBW-FSDCSDTHSA-N 2 2 317.433 1.865 20 30 DDEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367713171 897548897 /nfs/dbraw/zinc/54/88/97/897548897.db2.gz WPZJMGKUPRIDSC-SECBINFHSA-N 2 2 315.215 1.264 20 30 DDEDLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001390860110 900381600 /nfs/dbraw/zinc/38/16/00/900381600.db2.gz KHRHLJDXWPKDJO-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001390860110 900381613 /nfs/dbraw/zinc/38/16/13/900381613.db2.gz KHRHLJDXWPKDJO-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1C#N ZINC001390860110 900381618 /nfs/dbraw/zinc/38/16/18/900381618.db2.gz KHRHLJDXWPKDJO-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1C#N ZINC001390860110 900381631 /nfs/dbraw/zinc/38/16/31/900381631.db2.gz KHRHLJDXWPKDJO-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(NCC)c2)C1 ZINC001263747624 900691651 /nfs/dbraw/zinc/69/16/51/900691651.db2.gz WBUSRKXEIZBPHX-HNNXBMFYSA-N 2 2 315.421 1.410 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(NCC)c2)C1 ZINC001263747624 900691658 /nfs/dbraw/zinc/69/16/58/900691658.db2.gz WBUSRKXEIZBPHX-HNNXBMFYSA-N 2 2 315.421 1.410 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705632 902321228 /nfs/dbraw/zinc/32/12/28/902321228.db2.gz LHHNQTNTCFZCNR-HOTGVXAUSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705632 902321238 /nfs/dbraw/zinc/32/12/38/902321238.db2.gz LHHNQTNTCFZCNR-HOTGVXAUSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001282573342 905874689 /nfs/dbraw/zinc/87/46/89/905874689.db2.gz INXCJPLWZVDWBS-HNNXBMFYSA-N 2 2 304.438 1.747 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001283520164 907524602 /nfs/dbraw/zinc/52/46/02/907524602.db2.gz JDMZAADDEROAED-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284956216 909814799 /nfs/dbraw/zinc/81/47/99/909814799.db2.gz CPMKVKVNFAHPSE-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001284956216 909814808 /nfs/dbraw/zinc/81/48/08/909814808.db2.gz CPMKVKVNFAHPSE-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001375758980 916885226 /nfs/dbraw/zinc/88/52/26/916885226.db2.gz FDIZUJZLIZKCPI-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1C ZINC000328995055 539300182 /nfs/dbraw/zinc/30/01/82/539300182.db2.gz UGUOHSNXEJMXPC-LLVKDONJSA-N 2 2 302.382 1.402 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272816461 210216975 /nfs/dbraw/zinc/21/69/75/210216975.db2.gz FZLMOYJXAKXRDE-RDJZCZTQSA-N 2 2 301.434 1.931 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272816461 210216977 /nfs/dbraw/zinc/21/69/77/210216977.db2.gz FZLMOYJXAKXRDE-RDJZCZTQSA-N 2 2 301.434 1.931 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000615788698 362441675 /nfs/dbraw/zinc/44/16/75/362441675.db2.gz AEKFDWKSJGNZHH-AWEZNQCLSA-N 2 2 313.405 1.155 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000590925592 355215832 /nfs/dbraw/zinc/21/58/32/355215832.db2.gz MZQZOHJMNGFGCQ-CQSZACIVSA-N 2 2 321.469 1.394 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000590925592 355215836 /nfs/dbraw/zinc/21/58/36/355215836.db2.gz MZQZOHJMNGFGCQ-CQSZACIVSA-N 2 2 321.469 1.394 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CCC3)CC2)CC1 ZINC000591539551 355325516 /nfs/dbraw/zinc/32/55/16/355325516.db2.gz AKNWHJCWWSYZDY-UHFFFAOYSA-N 2 2 318.465 1.699 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CCC3)CC2)CC1 ZINC000591539551 355325519 /nfs/dbraw/zinc/32/55/19/355325519.db2.gz AKNWHJCWWSYZDY-UHFFFAOYSA-N 2 2 318.465 1.699 20 30 DDEDLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181739 355819184 /nfs/dbraw/zinc/81/91/84/355819184.db2.gz GHSPPBHIVKLPIR-MRXNPFEDSA-N 2 2 302.422 1.652 20 30 DDEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181739 355819187 /nfs/dbraw/zinc/81/91/87/355819187.db2.gz GHSPPBHIVKLPIR-MRXNPFEDSA-N 2 2 302.422 1.652 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)cc1 ZINC000596454958 356884089 /nfs/dbraw/zinc/88/40/89/356884089.db2.gz XARRGMMDVXIWJT-UHFFFAOYSA-N 2 2 303.410 1.563 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)cc1 ZINC000596454958 356884093 /nfs/dbraw/zinc/88/40/93/356884093.db2.gz XARRGMMDVXIWJT-UHFFFAOYSA-N 2 2 303.410 1.563 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(F)c1C#N ZINC000597989926 357408131 /nfs/dbraw/zinc/40/81/31/357408131.db2.gz NOVJYFGFTMZTPL-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(F)c1C#N ZINC000597989926 357408135 /nfs/dbraw/zinc/40/81/35/357408135.db2.gz NOVJYFGFTMZTPL-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(CC#N)cc1 ZINC000597990541 357408658 /nfs/dbraw/zinc/40/86/58/357408658.db2.gz XUORPPFTNMFDAH-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(CC#N)cc1 ZINC000597990541 357408659 /nfs/dbraw/zinc/40/86/59/357408659.db2.gz XUORPPFTNMFDAH-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598593353 357645726 /nfs/dbraw/zinc/64/57/26/357645726.db2.gz RIDODMLKGUABOV-OAHLLOKOSA-N 2 2 302.422 1.813 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000600717251 358293486 /nfs/dbraw/zinc/29/34/86/358293486.db2.gz JOKSBVIVBIGGBW-HNNXBMFYSA-N 2 2 323.506 1.992 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000603885928 359693523 /nfs/dbraw/zinc/69/35/23/359693523.db2.gz BOOIHMSWUWNBNS-UHFFFAOYSA-N 2 2 309.373 1.590 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623950 360778218 /nfs/dbraw/zinc/77/82/18/360778218.db2.gz KULYPCAVERJPTD-ZDUSSCGKSA-N 2 2 307.442 1.004 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623950 360778223 /nfs/dbraw/zinc/77/82/23/360778223.db2.gz KULYPCAVERJPTD-ZDUSSCGKSA-N 2 2 307.442 1.004 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271700324 209136366 /nfs/dbraw/zinc/13/63/66/209136366.db2.gz TVYCNOFCCBYNOS-GJZGRUSLSA-N 2 2 314.433 1.761 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198843 407552585 /nfs/dbraw/zinc/55/25/85/407552585.db2.gz GUCBQXXPHNJOBO-UKRRQHHQSA-N 2 2 300.406 1.769 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198843 407552587 /nfs/dbraw/zinc/55/25/87/407552587.db2.gz GUCBQXXPHNJOBO-UKRRQHHQSA-N 2 2 300.406 1.769 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sccc1C#N ZINC000130368008 407679209 /nfs/dbraw/zinc/67/92/09/407679209.db2.gz YSAUVCKIBFCEJP-UHFFFAOYSA-N 2 2 303.391 1.777 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sccc1C#N ZINC000130368008 407679218 /nfs/dbraw/zinc/67/92/18/407679218.db2.gz YSAUVCKIBFCEJP-UHFFFAOYSA-N 2 2 303.391 1.777 20 30 DDEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000271525103 407715479 /nfs/dbraw/zinc/71/54/79/407715479.db2.gz WJCDJPXVZUGMIH-UHFFFAOYSA-N 2 2 314.433 1.771 20 30 DDEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000271525103 407715484 /nfs/dbraw/zinc/71/54/84/407715484.db2.gz WJCDJPXVZUGMIH-UHFFFAOYSA-N 2 2 314.433 1.771 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000157250754 408294880 /nfs/dbraw/zinc/29/48/80/408294880.db2.gz QXPVRROKVLVVIL-WMZOPIPTSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000157250754 408294888 /nfs/dbraw/zinc/29/48/88/408294888.db2.gz QXPVRROKVLVVIL-WMZOPIPTSA-N 2 2 318.465 1.745 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000292761560 409041392 /nfs/dbraw/zinc/04/13/92/409041392.db2.gz KKQVTQNCXXGULG-HNNXBMFYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000292761560 409041393 /nfs/dbraw/zinc/04/13/93/409041393.db2.gz KKQVTQNCXXGULG-HNNXBMFYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000292761560 409041395 /nfs/dbraw/zinc/04/13/95/409041395.db2.gz KKQVTQNCXXGULG-HNNXBMFYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000292761560 409041397 /nfs/dbraw/zinc/04/13/97/409041397.db2.gz KKQVTQNCXXGULG-HNNXBMFYSA-N 2 2 317.437 1.195 20 30 DDEDLP CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000328796529 409978971 /nfs/dbraw/zinc/97/89/71/409978971.db2.gz UWPTYXFTJZIIND-CYBMUJFWSA-N 2 2 305.426 1.608 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000299325653 410585098 /nfs/dbraw/zinc/58/50/98/410585098.db2.gz OAKHPGHLYJHOBX-UHFFFAOYSA-N 2 2 322.412 1.713 20 30 DDEDLP C#CC[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374118542 418490755 /nfs/dbraw/zinc/49/07/55/418490755.db2.gz IDQCTIJTPKYAQB-AWEZNQCLSA-N 2 2 306.454 1.256 20 30 DDEDLP C[C@H]1C[N@H+](CCCSCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360691928 418493159 /nfs/dbraw/zinc/49/31/59/418493159.db2.gz NQVJVAHDHNHJEY-JKSUJKDBSA-N 2 2 310.511 1.591 20 30 DDEDLP C[C@H]1C[N@@H+](CCCSCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360691928 418493161 /nfs/dbraw/zinc/49/31/61/418493161.db2.gz NQVJVAHDHNHJEY-JKSUJKDBSA-N 2 2 310.511 1.591 20 30 DDEDLP N#Cc1cccnc1N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000375005280 418586915 /nfs/dbraw/zinc/58/69/15/418586915.db2.gz NTCUJNSBOUAMDY-UHFFFAOYSA-N 2 2 310.405 1.752 20 30 DDEDLP N#Cc1cccnc1N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000375005280 418586917 /nfs/dbraw/zinc/58/69/17/418586917.db2.gz NTCUJNSBOUAMDY-UHFFFAOYSA-N 2 2 310.405 1.752 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246215187 222221109 /nfs/dbraw/zinc/22/11/09/222221109.db2.gz CUKYTYBKNGUGKA-JKSUJKDBSA-N 2 2 302.422 1.967 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246215187 222221110 /nfs/dbraw/zinc/22/11/10/222221110.db2.gz CUKYTYBKNGUGKA-JKSUJKDBSA-N 2 2 302.422 1.967 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247251706 222227909 /nfs/dbraw/zinc/22/79/09/222227909.db2.gz ZZAAQXUBBYVNDB-LSDHHAIUSA-N 2 2 322.453 1.337 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247251706 222227911 /nfs/dbraw/zinc/22/79/11/222227911.db2.gz ZZAAQXUBBYVNDB-LSDHHAIUSA-N 2 2 322.453 1.337 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420973344 419394994 /nfs/dbraw/zinc/39/49/94/419394994.db2.gz NAKYKSWDFSUBPO-MSOLQXFVSA-N 2 2 302.418 1.952 20 30 DDEDLP C=CCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000448393201 420853392 /nfs/dbraw/zinc/85/33/92/420853392.db2.gz XTWBSVHQBGAPCE-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000448393201 420853396 /nfs/dbraw/zinc/85/33/96/420853396.db2.gz XTWBSVHQBGAPCE-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493463862 420857287 /nfs/dbraw/zinc/85/72/87/420857287.db2.gz PFQBQDBMOZNGRT-BQYQJAHWSA-N 2 2 323.400 1.885 20 30 DDEDLP C=CC(C)(C)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000527929783 421456265 /nfs/dbraw/zinc/45/62/65/421456265.db2.gz WORLPUFTOKEJPX-UHFFFAOYSA-N 2 2 309.498 1.975 20 30 DDEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000527929783 421456268 /nfs/dbraw/zinc/45/62/68/421456268.db2.gz WORLPUFTOKEJPX-UHFFFAOYSA-N 2 2 309.498 1.975 20 30 DDEDLP CCC(C#N)(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000528316628 421479089 /nfs/dbraw/zinc/47/90/89/421479089.db2.gz SHSYTOWNBIQHPD-UHFFFAOYSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000566117778 421602626 /nfs/dbraw/zinc/60/26/26/421602626.db2.gz XHMWPJUHZOBQMN-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[N@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000566117778 421602627 /nfs/dbraw/zinc/60/26/27/421602627.db2.gz XHMWPJUHZOBQMN-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@H]1CNC[C@H](O)C[N@H+](C)CCC#N ZINC000566117778 421602629 /nfs/dbraw/zinc/60/26/29/421602629.db2.gz XHMWPJUHZOBQMN-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@H]1CNC[C@H](O)C[N@@H+](C)CCC#N ZINC000566117778 421602631 /nfs/dbraw/zinc/60/26/31/421602631.db2.gz XHMWPJUHZOBQMN-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262449112 278167700 /nfs/dbraw/zinc/16/77/00/278167700.db2.gz JKUBXWJANDTGQX-MRXNPFEDSA-N 3 2 318.469 1.409 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753155 279114896 /nfs/dbraw/zinc/11/48/96/279114896.db2.gz WOLQQYIJEWTRSW-XJKCOSOUSA-N 2 2 317.437 1.740 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753155 279114898 /nfs/dbraw/zinc/11/48/98/279114898.db2.gz WOLQQYIJEWTRSW-XJKCOSOUSA-N 2 2 317.437 1.740 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428206 279224446 /nfs/dbraw/zinc/22/44/46/279224446.db2.gz PEOJRGWZQHHRAK-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428206 279224448 /nfs/dbraw/zinc/22/44/48/279224448.db2.gz PEOJRGWZQHHRAK-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428206 279224451 /nfs/dbraw/zinc/22/44/51/279224451.db2.gz PEOJRGWZQHHRAK-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428206 279224454 /nfs/dbraw/zinc/22/44/54/279224454.db2.gz PEOJRGWZQHHRAK-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000130406669 281380012 /nfs/dbraw/zinc/38/00/12/281380012.db2.gz DHHGTVXSINQQGV-INIZCTEOSA-N 2 2 311.389 1.612 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000130406669 281380014 /nfs/dbraw/zinc/38/00/14/281380014.db2.gz DHHGTVXSINQQGV-INIZCTEOSA-N 2 2 311.389 1.612 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131796365 341111919 /nfs/dbraw/zinc/11/19/19/341111919.db2.gz SRCYQGGERSQLLH-INIZCTEOSA-N 2 2 303.406 1.959 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131796365 341111920 /nfs/dbraw/zinc/11/19/20/341111920.db2.gz SRCYQGGERSQLLH-INIZCTEOSA-N 2 2 303.406 1.959 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329723150 534763586 /nfs/dbraw/zinc/76/35/86/534763586.db2.gz FJZAYGRYUHAJEW-OLZOCXBDSA-N 2 2 314.393 1.542 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)C[C@H]2CCCCO2)CC1 ZINC000490852010 526948307 /nfs/dbraw/zinc/94/83/07/526948307.db2.gz JNOLFCRPSQDHCQ-QGZVFWFLSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)C[C@H]2CCCCO2)CC1 ZINC000490852010 526948314 /nfs/dbraw/zinc/94/83/14/526948314.db2.gz JNOLFCRPSQDHCQ-QGZVFWFLSA-N 2 2 321.465 1.045 20 30 DDEDLP C=CCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000448393200 527217322 /nfs/dbraw/zinc/21/73/22/527217322.db2.gz XTWBSVHQBGAPCE-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000448393200 527217329 /nfs/dbraw/zinc/21/73/29/527217329.db2.gz XTWBSVHQBGAPCE-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818208 695102051 /nfs/dbraw/zinc/10/20/51/695102051.db2.gz NESXWFMAOJXTBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818208 695102054 /nfs/dbraw/zinc/10/20/54/695102054.db2.gz NESXWFMAOJXTBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818208 695102057 /nfs/dbraw/zinc/10/20/57/695102057.db2.gz NESXWFMAOJXTBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818208 695102060 /nfs/dbraw/zinc/10/20/60/695102060.db2.gz NESXWFMAOJXTBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374136 695233371 /nfs/dbraw/zinc/23/33/71/695233371.db2.gz OVGHRSTYQVIIIU-AEFFLSMTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374136 695233372 /nfs/dbraw/zinc/23/33/72/695233372.db2.gz OVGHRSTYQVIIIU-AEFFLSMTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374136 695233375 /nfs/dbraw/zinc/23/33/75/695233375.db2.gz OVGHRSTYQVIIIU-AEFFLSMTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374136 695233378 /nfs/dbraw/zinc/23/33/78/695233378.db2.gz OVGHRSTYQVIIIU-AEFFLSMTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977478783 696181408 /nfs/dbraw/zinc/18/14/08/696181408.db2.gz SKUJRWXVQUUUDM-ZDUSSCGKSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977478783 696181409 /nfs/dbraw/zinc/18/14/09/696181409.db2.gz SKUJRWXVQUUUDM-ZDUSSCGKSA-N 2 2 311.857 1.661 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978365055 696371193 /nfs/dbraw/zinc/37/11/93/696371193.db2.gz FUCUWHWZOFFLIR-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978365055 696371197 /nfs/dbraw/zinc/37/11/97/696371197.db2.gz FUCUWHWZOFFLIR-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000104160733 696618950 /nfs/dbraw/zinc/61/89/50/696618950.db2.gz VJUZODAUZCBAHQ-JKSUJKDBSA-N 2 2 309.502 1.305 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838013 696938147 /nfs/dbraw/zinc/93/81/47/696938147.db2.gz JOWWSBAMUUIQPZ-INIZCTEOSA-N 2 2 314.433 1.312 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838013 696938148 /nfs/dbraw/zinc/93/81/48/696938148.db2.gz JOWWSBAMUUIQPZ-INIZCTEOSA-N 2 2 314.433 1.312 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981331991 697068195 /nfs/dbraw/zinc/06/81/95/697068195.db2.gz OZCGJYVLVCHRPK-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981331991 697068197 /nfs/dbraw/zinc/06/81/97/697068197.db2.gz OZCGJYVLVCHRPK-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981331991 697068199 /nfs/dbraw/zinc/06/81/99/697068199.db2.gz OZCGJYVLVCHRPK-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981331991 697068202 /nfs/dbraw/zinc/06/82/02/697068202.db2.gz OZCGJYVLVCHRPK-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000985168043 697462369 /nfs/dbraw/zinc/46/23/69/697462369.db2.gz ZNIPCGNDQRAOPC-QAQDUYKDSA-N 2 2 323.400 1.439 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987261623 698063162 /nfs/dbraw/zinc/06/31/62/698063162.db2.gz SAFQZBWWHKSNGT-CZUORRHYSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000987441343 698118224 /nfs/dbraw/zinc/11/82/24/698118224.db2.gz PSQIKELLZBSNFE-OCCSQVGLSA-N 2 2 310.829 1.684 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC3CCCCC3)cn2)CC1 ZINC000777457144 698191912 /nfs/dbraw/zinc/19/19/12/698191912.db2.gz MKDHHBQWLDISEQ-UHFFFAOYSA-N 2 2 303.410 1.912 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224982 698560715 /nfs/dbraw/zinc/56/07/15/698560715.db2.gz YLRVQRMFHCWEAY-OLZOCXBDSA-N 2 2 310.829 1.684 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224983 698561063 /nfs/dbraw/zinc/56/10/63/698561063.db2.gz YLRVQRMFHCWEAY-QWHCGFSZSA-N 2 2 310.829 1.684 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491009 698641884 /nfs/dbraw/zinc/64/18/84/698641884.db2.gz CHSSBFJAYXQVHE-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C[NH+]1CCN([NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771552462 701323184 /nfs/dbraw/zinc/32/31/84/701323184.db2.gz HPLMYFNPPOTBOO-UHFFFAOYSA-N 3 2 301.438 1.020 20 30 DDEDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232006 706655825 /nfs/dbraw/zinc/65/58/25/706655825.db2.gz DUVSJEJRIZCUPK-HUUCEWRRSA-N 2 2 316.449 1.940 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000818951823 704033192 /nfs/dbraw/zinc/03/31/92/704033192.db2.gz RDRFKKDLPXAUNX-KRWDZBQOSA-N 2 2 310.401 1.957 20 30 DDEDLP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc[nH+]cc1C ZINC000863157950 705869902 /nfs/dbraw/zinc/86/99/02/705869902.db2.gz WOSAFBNMFPHXNS-UHFFFAOYSA-N 2 2 314.393 1.136 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000887606633 709081299 /nfs/dbraw/zinc/08/12/99/709081299.db2.gz GTTCZEBSUMWETC-GJZGRUSLSA-N 2 2 318.421 1.279 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000887606633 709081301 /nfs/dbraw/zinc/08/13/01/709081301.db2.gz GTTCZEBSUMWETC-GJZGRUSLSA-N 2 2 318.421 1.279 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000900020308 709269262 /nfs/dbraw/zinc/26/92/62/709269262.db2.gz RKWWITAVVOEXDH-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ncc(Br)cc1O ZINC000894639466 711226314 /nfs/dbraw/zinc/22/63/14/711226314.db2.gz MIKBEIIDRIZVCU-UHFFFAOYSA-N 2 2 312.211 1.594 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ncc(Br)cc1O ZINC000894639466 711226318 /nfs/dbraw/zinc/22/63/18/711226318.db2.gz MIKBEIIDRIZVCU-UHFFFAOYSA-N 2 2 312.211 1.594 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000895202176 711452551 /nfs/dbraw/zinc/45/25/51/711452551.db2.gz QAPIYTOHXXYYLV-KBPBESRZSA-N 2 2 303.410 1.169 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000895202176 711452553 /nfs/dbraw/zinc/45/25/53/711452553.db2.gz QAPIYTOHXXYYLV-KBPBESRZSA-N 2 2 303.410 1.169 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000957283969 715815456 /nfs/dbraw/zinc/81/54/56/715815456.db2.gz HKGLEOTXXBVMJI-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000957283969 715815459 /nfs/dbraw/zinc/81/54/59/715815459.db2.gz HKGLEOTXXBVMJI-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166975 717120509 /nfs/dbraw/zinc/12/05/09/717120509.db2.gz NNDNZJVWRWAGAO-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166975 717120511 /nfs/dbraw/zinc/12/05/11/717120511.db2.gz NNDNZJVWRWAGAO-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334756 719125996 /nfs/dbraw/zinc/12/59/96/719125996.db2.gz RPSVLPRATLEMRK-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947334756 719125999 /nfs/dbraw/zinc/12/59/99/719125999.db2.gz RPSVLPRATLEMRK-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567815 719552750 /nfs/dbraw/zinc/55/27/50/719552750.db2.gz XUWPCZQZLMDTMN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567815 719552754 /nfs/dbraw/zinc/55/27/54/719552754.db2.gz XUWPCZQZLMDTMN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461084 719599768 /nfs/dbraw/zinc/59/97/68/719599768.db2.gz ZYRMFJSTPVMZPD-DLBZAZTESA-N 2 2 305.466 1.568 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925441 719874832 /nfs/dbraw/zinc/87/48/32/719874832.db2.gz DHMWURZFWOIBRK-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926008 719876752 /nfs/dbraw/zinc/87/67/52/719876752.db2.gz RYNJPINXJCWROQ-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926008 719876758 /nfs/dbraw/zinc/87/67/58/719876758.db2.gz RYNJPINXJCWROQ-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969676083 720246235 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302.422 1.446 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970013174 720598303 /nfs/dbraw/zinc/59/83/03/720598303.db2.gz NDSJZZXSFRSLTL-JHJVBQTASA-N 2 2 308.813 1.467 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213422 720664275 /nfs/dbraw/zinc/66/42/75/720664275.db2.gz NIRIWDFHKTVEMC-RHSMWYFYSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213422 720664278 /nfs/dbraw/zinc/66/42/78/720664278.db2.gz NIRIWDFHKTVEMC-RHSMWYFYSA-N 2 2 321.465 1.110 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970402045 720747826 /nfs/dbraw/zinc/74/78/26/720747826.db2.gz IXWILRKXFDIOJP-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348505 733261117 /nfs/dbraw/zinc/26/11/17/733261117.db2.gz JZYQYULCXHLIKR-HNNXBMFYSA-N 2 2 302.422 1.734 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C 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AIJWLQUOJCSOHL-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980306 738904012 /nfs/dbraw/zinc/90/40/12/738904012.db2.gz PVDGYUFARXQECY-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980306 738904015 /nfs/dbraw/zinc/90/40/15/738904015.db2.gz PVDGYUFARXQECY-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028260746 739247729 /nfs/dbraw/zinc/24/77/29/739247729.db2.gz ZTRXGOKLTOBXND-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035391628 751461368 /nfs/dbraw/zinc/46/13/68/751461368.db2.gz IVPCFUFEOALLKW-GJZGRUSLSA-N 2 2 318.421 1.154 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035391628 751461372 /nfs/dbraw/zinc/46/13/72/751461372.db2.gz IVPCFUFEOALLKW-GJZGRUSLSA-N 2 2 318.421 1.154 20 30 DDEDLP 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318.421 1.603 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215277 760397546 /nfs/dbraw/zinc/39/75/46/760397546.db2.gz COVFGWPGIIQDSK-KRWDZBQOSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215277 760397554 /nfs/dbraw/zinc/39/75/54/760397554.db2.gz COVFGWPGIIQDSK-KRWDZBQOSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215277 760397563 /nfs/dbraw/zinc/39/75/63/760397563.db2.gz COVFGWPGIIQDSK-KRWDZBQOSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215277 760397573 /nfs/dbraw/zinc/39/75/73/760397573.db2.gz COVFGWPGIIQDSK-KRWDZBQOSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085906137 760499623 /nfs/dbraw/zinc/49/96/23/760499623.db2.gz AOVPCNCXXQOCOO-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085906137 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765899220 /nfs/dbraw/zinc/89/92/20/765899220.db2.gz JBUCSCASLSVHOQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314341 767410789 /nfs/dbraw/zinc/41/07/89/767410789.db2.gz HIWZXVKENSQCQV-SFHVURJKSA-N 2 2 310.401 1.860 20 30 DDEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314341 767410792 /nfs/dbraw/zinc/41/07/92/767410792.db2.gz HIWZXVKENSQCQV-SFHVURJKSA-N 2 2 310.401 1.860 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478242 767549141 /nfs/dbraw/zinc/54/91/41/767549141.db2.gz WLSFSOPEYVHMLQ-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487922 767562567 /nfs/dbraw/zinc/56/25/67/767562567.db2.gz LDSDTYWRDXLJSO-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071527824 769568856 /nfs/dbraw/zinc/56/88/56/769568856.db2.gz JRKBPVCBMRHKHE-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C ZINC001071527824 769568862 /nfs/dbraw/zinc/56/88/62/769568862.db2.gz JRKBPVCBMRHKHE-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071865216 770194590 /nfs/dbraw/zinc/19/45/90/770194590.db2.gz ICTVGSNRWXVONS-CABCVRRESA-N 2 2 302.422 1.609 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071865216 770194592 /nfs/dbraw/zinc/19/45/92/770194592.db2.gz ICTVGSNRWXVONS-CABCVRRESA-N 2 2 302.422 1.609 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049510771 770949152 /nfs/dbraw/zinc/94/91/52/770949152.db2.gz ICHFYGCMGWMVDH-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049510771 770949158 /nfs/dbraw/zinc/94/91/58/770949158.db2.gz ICHFYGCMGWMVDH-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049510771 770949164 /nfs/dbraw/zinc/94/91/64/770949164.db2.gz ICHFYGCMGWMVDH-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049510771 770949172 /nfs/dbraw/zinc/94/91/72/770949172.db2.gz ICHFYGCMGWMVDH-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC ZINC001049528238 770980996 /nfs/dbraw/zinc/98/09/96/770980996.db2.gz CRIYKUZADPHEKM-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049528238 770981006 /nfs/dbraw/zinc/98/10/06/770981006.db2.gz CRIYKUZADPHEKM-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC ZINC001049528238 770981009 /nfs/dbraw/zinc/98/10/09/770981009.db2.gz CRIYKUZADPHEKM-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC ZINC001049528238 770981017 /nfs/dbraw/zinc/98/10/17/770981017.db2.gz CRIYKUZADPHEKM-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935366 773726811 /nfs/dbraw/zinc/72/68/11/773726811.db2.gz PKVCNSJFHKWQTO-INIZCTEOSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945574 773733850 /nfs/dbraw/zinc/73/38/50/773733850.db2.gz FCXAHTBEGCWYOH-CQSZACIVSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC001093572898 774846319 /nfs/dbraw/zinc/84/63/19/774846319.db2.gz VKHNMVBZJKAJRF-WMLDXEAASA-N 2 2 321.465 1.062 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC001093572898 774846327 /nfs/dbraw/zinc/84/63/27/774846327.db2.gz VKHNMVBZJKAJRF-WMLDXEAASA-N 2 2 321.465 1.062 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017010 775574361 /nfs/dbraw/zinc/57/43/61/775574361.db2.gz COPBRROLFQLSJO-JKSUJKDBSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017010 775574369 /nfs/dbraw/zinc/57/43/69/775574369.db2.gz COPBRROLFQLSJO-JKSUJKDBSA-N 2 2 320.437 1.250 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171597261 776362373 /nfs/dbraw/zinc/36/23/73/776362373.db2.gz WXIDFBAUJKVNRV-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176393617 778138057 /nfs/dbraw/zinc/13/80/57/778138057.db2.gz RTLJHKZUPGAFEM-HNNXBMFYSA-N 2 2 304.438 1.641 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675099 778207616 /nfs/dbraw/zinc/20/76/16/778207616.db2.gz CGDCZPLUNSANCM-MRXNPFEDSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676539 778208949 /nfs/dbraw/zinc/20/89/49/778208949.db2.gz WIEJRBUMHHEDCK-DOTOQJQBSA-N 2 2 323.481 1.548 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602965 778235229 /nfs/dbraw/zinc/23/52/29/778235229.db2.gz LAYMWLYYRXYBPB-DJIMGWMZSA-N 2 2 316.449 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602965 778235233 /nfs/dbraw/zinc/23/52/33/778235233.db2.gz LAYMWLYYRXYBPB-DJIMGWMZSA-N 2 2 316.449 1.554 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119725 778433982 /nfs/dbraw/zinc/43/39/82/778433982.db2.gz PCKQPOOIBVBCQX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119725 778433985 /nfs/dbraw/zinc/43/39/85/778433985.db2.gz PCKQPOOIBVBCQX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157068 778465695 /nfs/dbraw/zinc/46/56/95/778465695.db2.gz PXYJPKFHGUDLOL-HZPDHXFCSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157068 778465699 /nfs/dbraw/zinc/46/56/99/778465699.db2.gz PXYJPKFHGUDLOL-HZPDHXFCSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536531 779084265 /nfs/dbraw/zinc/08/42/65/779084265.db2.gz ZKBWCMAGCFIFQW-UHFFFAOYSA-N 2 2 316.449 1.661 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022698 779250098 /nfs/dbraw/zinc/25/00/98/779250098.db2.gz SQTOQWBDGKGFQC-LZWOXQAQSA-N 2 2 302.422 1.601 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816010 779494921 /nfs/dbraw/zinc/49/49/21/779494921.db2.gz IZYZRLWHHNVAQL-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816010 779494925 /nfs/dbraw/zinc/49/49/25/779494925.db2.gz IZYZRLWHHNVAQL-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180386297 779739340 /nfs/dbraw/zinc/73/93/40/779739340.db2.gz AWDDMHNSYKXODB-KRWDZBQOSA-N 2 2 316.449 1.584 20 30 DDEDLP C[C@H](CC#N)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116322679 780496161 /nfs/dbraw/zinc/49/61/61/780496161.db2.gz KQCCKOIXCKNSMP-CYBMUJFWSA-N 2 2 303.385 1.803 20 30 DDEDLP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266326693 836124240 /nfs/dbraw/zinc/12/42/40/836124240.db2.gz HUVPAHCPRZEAOX-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266326693 836124247 /nfs/dbraw/zinc/12/42/47/836124247.db2.gz HUVPAHCPRZEAOX-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=CC[N@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266563074 836475108 /nfs/dbraw/zinc/47/51/08/836475108.db2.gz YUEUKWJOEULZAK-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=CC[N@@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266563074 836475112 /nfs/dbraw/zinc/47/51/12/836475112.db2.gz YUEUKWJOEULZAK-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266856280 836945313 /nfs/dbraw/zinc/94/53/13/836945313.db2.gz NEKMTYWEGFIODB-HNNXBMFYSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266856280 836945324 /nfs/dbraw/zinc/94/53/24/836945324.db2.gz NEKMTYWEGFIODB-HNNXBMFYSA-N 2 2 302.422 1.610 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466380 838114190 /nfs/dbraw/zinc/11/41/90/838114190.db2.gz NQRJLJWEPNKWQA-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466380 838114195 /nfs/dbraw/zinc/11/41/95/838114195.db2.gz NQRJLJWEPNKWQA-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267749077 838842003 /nfs/dbraw/zinc/84/20/03/838842003.db2.gz DACGPQKUVSSTGO-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267749077 838842021 /nfs/dbraw/zinc/84/20/21/838842021.db2.gz DACGPQKUVSSTGO-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268106845 839695550 /nfs/dbraw/zinc/69/55/50/839695550.db2.gz TXONTMVQUWSIRJ-RBSFLKMASA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268106845 839695553 /nfs/dbraw/zinc/69/55/53/839695553.db2.gz TXONTMVQUWSIRJ-RBSFLKMASA-N 2 2 302.422 1.657 20 30 DDEDLP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268240595 839882683 /nfs/dbraw/zinc/88/26/83/839882683.db2.gz MGXYQEOXSCFOKR-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268240595 839882690 /nfs/dbraw/zinc/88/26/90/839882690.db2.gz MGXYQEOXSCFOKR-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001269487315 841689114 /nfs/dbraw/zinc/68/91/14/841689114.db2.gz UXPHOVBFCRBTTF-INIZCTEOSA-N 2 2 310.401 1.488 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744857 842867649 /nfs/dbraw/zinc/86/76/49/842867649.db2.gz PQQKDLMFMXPRKI-CRAIPNDOSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001326669608 861529519 /nfs/dbraw/zinc/52/95/19/861529519.db2.gz BPFGSSWULZSOQU-QGZVFWFLSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001326669608 861529533 /nfs/dbraw/zinc/52/95/33/861529533.db2.gz BPFGSSWULZSOQU-QGZVFWFLSA-N 2 2 321.465 1.093 20 30 DDEDLP Cc1nc(Cl)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1C#N ZINC001155058315 861688988 /nfs/dbraw/zinc/68/89/88/861688988.db2.gz WAOYPKCQXVGYTQ-UHFFFAOYSA-N 2 2 302.769 1.963 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996092809 846800584 /nfs/dbraw/zinc/80/05/84/846800584.db2.gz OFSCBIITBRXECG-KRWDZBQOSA-N 2 2 322.412 1.946 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277177 848233313 /nfs/dbraw/zinc/23/33/13/848233313.db2.gz VRNISFLZTNMMGE-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277177 848233326 /nfs/dbraw/zinc/23/33/26/848233326.db2.gz VRNISFLZTNMMGE-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380790 862208795 /nfs/dbraw/zinc/20/87/95/862208795.db2.gz ZVYPQNIVPHECDA-HOTGVXAUSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380790 862208811 /nfs/dbraw/zinc/20/88/11/862208811.db2.gz ZVYPQNIVPHECDA-HOTGVXAUSA-N 2 2 320.437 1.617 20 30 DDEDLP N#CCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001274040330 851881362 /nfs/dbraw/zinc/88/13/62/851881362.db2.gz KUQKNJHUTRRSCK-OAHLLOKOSA-N 2 2 315.421 1.405 20 30 DDEDLP C=CCCCC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274974979 852724216 /nfs/dbraw/zinc/72/42/16/852724216.db2.gz SHTNGTWSUOWYRX-CALCHBBNSA-N 2 2 304.438 1.624 20 30 DDEDLP C=CCCCC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274974979 852724222 /nfs/dbraw/zinc/72/42/22/852724222.db2.gz SHTNGTWSUOWYRX-CALCHBBNSA-N 2 2 304.438 1.624 20 30 DDEDLP COc1cc(C#N)ccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276087480 854736478 /nfs/dbraw/zinc/73/64/78/854736478.db2.gz VYYMXEXDTFAFDZ-UHFFFAOYSA-N 2 2 314.433 1.246 20 30 DDEDLP COc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C#N ZINC001156181435 862787622 /nfs/dbraw/zinc/78/76/22/862787622.db2.gz ANJHVZNFGVPXKV-UHFFFAOYSA-N 2 2 303.410 1.400 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001328224671 862789622 /nfs/dbraw/zinc/78/96/22/862789622.db2.gz TVTVWUJYOMCVCX-OAHLLOKOSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870644 857824504 /nfs/dbraw/zinc/82/45/04/857824504.db2.gz PFGMNBZYXUBJSX-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870644 857824514 /nfs/dbraw/zinc/82/45/14/857824514.db2.gz PFGMNBZYXUBJSX-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857934 860169193 /nfs/dbraw/zinc/16/91/93/860169193.db2.gz YPAVWTPTTNNYLJ-ZIAGYGMSSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202864197 860179822 /nfs/dbraw/zinc/17/98/22/860179822.db2.gz RZNFAKBRBYKHJH-AWEZNQCLSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202864197 860179829 /nfs/dbraw/zinc/17/98/29/860179829.db2.gz RZNFAKBRBYKHJH-AWEZNQCLSA-N 2 2 320.437 1.372 20 30 DDEDLP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001328693169 863151539 /nfs/dbraw/zinc/15/15/39/863151539.db2.gz DUNROUFZLFJHLO-IEBWSBKVSA-N 2 2 322.412 1.358 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329476350 863689513 /nfs/dbraw/zinc/68/95/13/863689513.db2.gz ZHWURURYXGHZSS-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001330913900 864698242 /nfs/dbraw/zinc/69/82/42/864698242.db2.gz CAODMVNSMHYFDX-RRFJBIMHSA-N 2 2 302.422 1.421 20 30 DDEDLP N#Cc1c(NC2CN(c3cccc[nH+]3)C2)ncc2c1CCC[NH2+]C2 ZINC001161319264 866524650 /nfs/dbraw/zinc/52/46/50/866524650.db2.gz NWMYOFHRINAATP-UHFFFAOYSA-N 2 2 320.400 1.685 20 30 DDEDLP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001324749274 867495179 /nfs/dbraw/zinc/49/51/79/867495179.db2.gz AFZKTOWZGUJYOG-RHSMWYFYSA-N 2 2 302.422 1.460 20 30 DDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC001321642132 867711379 /nfs/dbraw/zinc/71/13/79/867711379.db2.gz KWFAZPYUDGXHIE-JTQLQIEISA-N 2 2 322.332 1.239 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317328241 870650970 /nfs/dbraw/zinc/65/09/70/870650970.db2.gz ZXDFBEKRSHPTOA-SJORKVTESA-N 2 2 316.449 1.932 20 30 DDEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206468985 872355918 /nfs/dbraw/zinc/35/59/18/872355918.db2.gz MWSYJCGHLQHKGX-DOTOQJQBSA-N 2 2 324.384 1.497 20 30 DDEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206468985 872355936 /nfs/dbraw/zinc/35/59/36/872355936.db2.gz MWSYJCGHLQHKGX-DOTOQJQBSA-N 2 2 324.384 1.497 20 30 DDEDLP C#CCC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001316917986 872357621 /nfs/dbraw/zinc/35/76/21/872357621.db2.gz NDXQLBUZDQODPW-UHFFFAOYSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CCC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001316917986 872357643 /nfs/dbraw/zinc/35/76/43/872357643.db2.gz NDXQLBUZDQODPW-UHFFFAOYSA-N 2 2 316.449 1.921 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001319549812 872686476 /nfs/dbraw/zinc/68/64/76/872686476.db2.gz QGTKTWKKCGUZPO-OAHLLOKOSA-N 2 2 311.470 1.500 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446983 874148658 /nfs/dbraw/zinc/14/86/58/874148658.db2.gz DYAWKSSBOXAEBP-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208738205 874431203 /nfs/dbraw/zinc/43/12/03/874431203.db2.gz LCGWKAHBGVZHCQ-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738205 874431206 /nfs/dbraw/zinc/43/12/06/874431206.db2.gz LCGWKAHBGVZHCQ-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448124 875811418 /nfs/dbraw/zinc/81/14/18/875811418.db2.gz ZHWNEXHJQISTEI-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448124 875811424 /nfs/dbraw/zinc/81/14/24/875811424.db2.gz ZHWNEXHJQISTEI-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211448124 875811430 /nfs/dbraw/zinc/81/14/30/875811430.db2.gz ZHWNEXHJQISTEI-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211448124 875811435 /nfs/dbraw/zinc/81/14/35/875811435.db2.gz ZHWNEXHJQISTEI-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362072590 882966056 /nfs/dbraw/zinc/96/60/56/882966056.db2.gz GNGQZRPPDJIUJV-CYBMUJFWSA-N 2 2 315.421 1.093 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362072590 882966066 /nfs/dbraw/zinc/96/60/66/882966066.db2.gz GNGQZRPPDJIUJV-CYBMUJFWSA-N 2 2 315.421 1.093 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223901117 881140202 /nfs/dbraw/zinc/14/02/02/881140202.db2.gz VZZLZGHUNDEDNW-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229045582 883788760 /nfs/dbraw/zinc/78/87/60/883788760.db2.gz CRXFEBFTENVGTA-NUEKZKHPSA-N 2 2 302.422 1.629 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229045582 883788773 /nfs/dbraw/zinc/78/87/73/883788773.db2.gz CRXFEBFTENVGTA-NUEKZKHPSA-N 2 2 302.422 1.629 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229691816 884113013 /nfs/dbraw/zinc/11/30/13/884113013.db2.gz AOTJRJGVEPOOEJ-HZPDHXFCSA-N 2 2 304.438 1.946 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCOC ZINC001235473993 888668888 /nfs/dbraw/zinc/66/88/88/888668888.db2.gz YXTXKPOXXMYOJJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCOC ZINC001235473993 888668902 /nfs/dbraw/zinc/66/89/02/888668902.db2.gz YXTXKPOXXMYOJJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCOC ZINC001235473993 888668912 /nfs/dbraw/zinc/66/89/12/888668912.db2.gz YXTXKPOXXMYOJJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCOC ZINC001235473993 888668925 /nfs/dbraw/zinc/66/89/25/888668925.db2.gz YXTXKPOXXMYOJJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278373456 891757736 /nfs/dbraw/zinc/75/77/36/891757736.db2.gz ZEPAKAJVGIYKHW-XJKSGUPXSA-N 2 2 310.401 1.859 20 30 DDEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246004310 892323394 /nfs/dbraw/zinc/32/33/94/892323394.db2.gz BLERLXCRESTHMX-GJZGRUSLSA-N 2 2 302.459 1.968 20 30 DDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151245 892445678 /nfs/dbraw/zinc/44/56/78/892445678.db2.gz WTVCDNIUMCIDER-QAPCUYQASA-N 3 2 312.461 1.953 20 30 DDEDLP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278510430 893756165 /nfs/dbraw/zinc/75/61/65/893756165.db2.gz AAISKLYDCHGVKZ-MAUKXSAKSA-N 2 2 316.449 1.850 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528862 897461515 /nfs/dbraw/zinc/46/15/15/897461515.db2.gz MSGLYXQWRDZKBW-ABFRBSLYSA-N 2 2 317.433 1.865 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528862 897461524 /nfs/dbraw/zinc/46/15/24/897461524.db2.gz MSGLYXQWRDZKBW-ABFRBSLYSA-N 2 2 317.433 1.865 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001262185326 900004904 /nfs/dbraw/zinc/00/49/04/900004904.db2.gz LFVKYQNDZCHESV-QGZVFWFLSA-N 2 2 314.433 1.117 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001262185326 900004915 /nfs/dbraw/zinc/00/49/15/900004915.db2.gz LFVKYQNDZCHESV-QGZVFWFLSA-N 2 2 314.433 1.117 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001262977517 900453531 /nfs/dbraw/zinc/45/35/31/900453531.db2.gz HJODSDDGFKUHQT-OAHLLOKOSA-N 2 2 316.453 1.515 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001262977517 900453541 /nfs/dbraw/zinc/45/35/41/900453541.db2.gz HJODSDDGFKUHQT-OAHLLOKOSA-N 2 2 316.453 1.515 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265624257 902215972 /nfs/dbraw/zinc/21/59/72/902215972.db2.gz OWOSERZCMXOBRT-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279529051 903305376 /nfs/dbraw/zinc/30/53/76/903305376.db2.gz ILYWVZWLXHGRDN-QGZVFWFLSA-N 2 2 320.437 1.170 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279529051 903305393 /nfs/dbraw/zinc/30/53/93/903305393.db2.gz ILYWVZWLXHGRDN-QGZVFWFLSA-N 2 2 320.437 1.170 20 30 DDEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001281137171 904459307 /nfs/dbraw/zinc/45/93/07/904459307.db2.gz JNAFWIQRDVOULJ-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001281137171 904459321 /nfs/dbraw/zinc/45/93/21/904459321.db2.gz JNAFWIQRDVOULJ-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001281567257 905039040 /nfs/dbraw/zinc/03/90/40/905039040.db2.gz MQWAEOHGLXRJMS-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001281567257 905039055 /nfs/dbraw/zinc/03/90/55/905039055.db2.gz MQWAEOHGLXRJMS-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281845009 905260647 /nfs/dbraw/zinc/26/06/47/905260647.db2.gz JRUBCTZYZRXBLH-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP CC#CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281845009 905260665 /nfs/dbraw/zinc/26/06/65/905260665.db2.gz JRUBCTZYZRXBLH-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001281943335 905341156 /nfs/dbraw/zinc/34/11/56/905341156.db2.gz YZKRROVOXJBRTC-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001281943335 905341174 /nfs/dbraw/zinc/34/11/74/905341174.db2.gz YZKRROVOXJBRTC-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155783 905584949 /nfs/dbraw/zinc/58/49/49/905584949.db2.gz JDVPQOKXFMTHMT-ZIAGYGMSSA-N 2 2 316.405 1.633 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811783 906065171 /nfs/dbraw/zinc/06/51/71/906065171.db2.gz QAZBIPWXDGZLNT-HZPDHXFCSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811783 906065190 /nfs/dbraw/zinc/06/51/90/906065190.db2.gz QAZBIPWXDGZLNT-HZPDHXFCSA-N 2 2 316.449 1.930 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001282930987 906267802 /nfs/dbraw/zinc/26/78/02/906267802.db2.gz ZRKQZPFRNKLQSK-UONOGXRCSA-N 2 2 320.437 1.469 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372553634 907614105 /nfs/dbraw/zinc/61/41/05/907614105.db2.gz KKMNEDRKYSFTHE-UONOGXRCSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372553634 907614115 /nfs/dbraw/zinc/61/41/15/907614115.db2.gz KKMNEDRKYSFTHE-UONOGXRCSA-N 2 2 301.862 1.906 20 30 DDEDLP C#CC[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001284928752 909749981 /nfs/dbraw/zinc/74/99/81/909749981.db2.gz QUFABNCNDYYIAW-UHFFFAOYSA-N 2 2 300.406 1.308 20 30 DDEDLP C#CC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001284928752 909749989 /nfs/dbraw/zinc/74/99/89/909749989.db2.gz QUFABNCNDYYIAW-UHFFFAOYSA-N 2 2 300.406 1.308 20 30 DDEDLP C[C@@H](C#N)CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760054 352592419 /nfs/dbraw/zinc/59/24/19/352592419.db2.gz PLVQNXLIFFKIBP-AWEZNQCLSA-N 2 2 321.469 1.346 20 30 DDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725219 191223538 /nfs/dbraw/zinc/22/35/38/191223538.db2.gz WXNBKERBZMCZBN-MRXNPFEDSA-N 2 2 319.453 1.449 20 30 DDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725219 191223539 /nfs/dbraw/zinc/22/35/39/191223539.db2.gz WXNBKERBZMCZBN-MRXNPFEDSA-N 2 2 319.453 1.449 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725219 191223541 /nfs/dbraw/zinc/22/35/41/191223541.db2.gz WXNBKERBZMCZBN-MRXNPFEDSA-N 2 2 319.453 1.449 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725219 191223542 /nfs/dbraw/zinc/22/35/42/191223542.db2.gz WXNBKERBZMCZBN-MRXNPFEDSA-N 2 2 319.453 1.449 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000161337263 354242607 /nfs/dbraw/zinc/24/26/07/354242607.db2.gz HPRNQPHKHRJNRL-QGZVFWFLSA-N 2 2 313.405 1.012 20 30 DDEDLP C[C@H]1C[C@]1(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000590671507 355142568 /nfs/dbraw/zinc/14/25/68/355142568.db2.gz QYRDZGGHCFQGEF-MAUKXSAKSA-N 2 2 318.465 1.603 20 30 DDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000591765464 355380377 /nfs/dbraw/zinc/38/03/77/355380377.db2.gz CIUXYGRDKYNFHQ-AXRJEEMOSA-N 2 2 309.454 1.376 20 30 DDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592070209 355482328 /nfs/dbraw/zinc/48/23/28/355482328.db2.gz KUTPDRYULOWKIN-SFHVURJKSA-N 2 2 313.449 1.554 20 30 DDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592070209 355482330 /nfs/dbraw/zinc/48/23/30/355482330.db2.gz KUTPDRYULOWKIN-SFHVURJKSA-N 2 2 313.449 1.554 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000594438044 356214745 /nfs/dbraw/zinc/21/47/45/356214745.db2.gz MKCCFPWAUSTNJT-HOTGVXAUSA-N 2 2 322.453 1.111 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC000596514991 356902528 /nfs/dbraw/zinc/90/25/28/356902528.db2.gz PWHUDIQUKOHUSH-HNNXBMFYSA-N 2 2 321.469 1.348 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOCCO)CC2)cc1 ZINC000180237637 199135116 /nfs/dbraw/zinc/13/51/16/199135116.db2.gz FDBMMDXONQKYCE-UHFFFAOYSA-N 2 2 317.433 1.511 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCOCC1 ZINC000600724701 358296903 /nfs/dbraw/zinc/29/69/03/358296903.db2.gz ZECBEGZSHCHKEZ-JKSUJKDBSA-N 2 2 307.438 1.132 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000600724701 358296905 /nfs/dbraw/zinc/29/69/05/358296905.db2.gz ZECBEGZSHCHKEZ-JKSUJKDBSA-N 2 2 307.438 1.132 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600729545 358298319 /nfs/dbraw/zinc/29/83/19/358298319.db2.gz AZIMPHYAGBBOHA-KRWDZBQOSA-N 2 2 311.385 1.834 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000602565307 359047197 /nfs/dbraw/zinc/04/71/97/359047197.db2.gz AJKAQTYJIUQHRW-QZTJIDSGSA-N 2 2 314.433 1.811 20 30 DDEDLP [O-]C(NC[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329928075 223048061 /nfs/dbraw/zinc/04/80/61/223048061.db2.gz XNUILQKEYSQRHR-UONOGXRCSA-N 2 2 317.437 1.433 20 30 DDEDLP [O-]C(NC[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329928075 223048065 /nfs/dbraw/zinc/04/80/65/223048065.db2.gz XNUILQKEYSQRHR-UONOGXRCSA-N 2 2 317.437 1.433 20 30 DDEDLP C[NH+](C)[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCSC1 ZINC000330165045 223081808 /nfs/dbraw/zinc/08/18/08/223081808.db2.gz UGKFMCKAUMLBMF-CQSZACIVSA-N 2 2 309.439 1.050 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204849 285036994 /nfs/dbraw/zinc/03/69/94/285036994.db2.gz PQGVOEPCHACHGH-OWCLPIDISA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204849 285036997 /nfs/dbraw/zinc/03/69/97/285036997.db2.gz PQGVOEPCHACHGH-OWCLPIDISA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354204849 285037001 /nfs/dbraw/zinc/03/70/01/285037001.db2.gz PQGVOEPCHACHGH-OWCLPIDISA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354204849 285037004 /nfs/dbraw/zinc/03/70/04/285037004.db2.gz PQGVOEPCHACHGH-OWCLPIDISA-N 2 2 308.470 1.799 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC001120500882 781987550 /nfs/dbraw/zinc/98/75/50/781987550.db2.gz RVBQSFWAZNQXTJ-QGZVFWFLSA-N 2 2 302.418 1.422 20 30 DDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCOCC1 ZINC000104178784 407348383 /nfs/dbraw/zinc/34/83/83/407348383.db2.gz OHQCWVFVHAAYMP-UHFFFAOYSA-N 2 2 303.341 1.158 20 30 DDEDLP C=C(C)CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180990936 407943652 /nfs/dbraw/zinc/94/36/52/407943652.db2.gz WRNPJRBJUBYXMJ-UHFFFAOYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161456677 408604907 /nfs/dbraw/zinc/60/49/07/408604907.db2.gz WLXCGYCNCMWXKH-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000353983567 409591180 /nfs/dbraw/zinc/59/11/80/409591180.db2.gz YLEAGCYHBWGAFE-UHFFFAOYSA-N 2 2 316.331 1.156 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329324065 410233994 /nfs/dbraw/zinc/23/39/94/410233994.db2.gz VKIGDLGETXKPSL-GFCCVEGCSA-N 2 2 303.410 1.460 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329324065 410233998 /nfs/dbraw/zinc/23/39/98/410233998.db2.gz VKIGDLGETXKPSL-GFCCVEGCSA-N 2 2 303.410 1.460 20 30 DDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000355651922 410624805 /nfs/dbraw/zinc/62/48/05/410624805.db2.gz PHJBKQRRIWGPLV-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP N#Cc1ncn(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000373483173 418434032 /nfs/dbraw/zinc/43/40/32/418434032.db2.gz IRGVRHFHJCLOLU-UHFFFAOYSA-N 2 2 307.361 1.635 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211048 418505633 /nfs/dbraw/zinc/50/56/33/418505633.db2.gz XBXSXFQKZIVUSJ-MRXNPFEDSA-N 2 2 303.410 1.644 20 30 DDEDLP NC(=[NH+]OCC1OCCO1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000191991390 222116732 /nfs/dbraw/zinc/11/67/32/222116732.db2.gz RWAXFRDVXMIIIB-UHFFFAOYSA-N 2 2 319.405 1.682 20 30 DDEDLP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328599234 418606079 /nfs/dbraw/zinc/60/60/79/418606079.db2.gz BVCXYNTXRMKQHC-AWEZNQCLSA-N 2 2 305.426 1.702 20 30 DDEDLP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328599234 418606081 /nfs/dbraw/zinc/60/60/81/418606081.db2.gz BVCXYNTXRMKQHC-AWEZNQCLSA-N 2 2 305.426 1.702 20 30 DDEDLP C[C@@H]1CN(C(=O)NCCCCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367547184 418609966 /nfs/dbraw/zinc/60/99/66/418609966.db2.gz RRUFEZXVPQVNAL-OAHLLOKOSA-N 2 2 321.469 1.490 20 30 DDEDLP C[C@@H]1CN(C(=O)NCCCCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367547184 418609968 /nfs/dbraw/zinc/60/99/68/418609968.db2.gz RRUFEZXVPQVNAL-OAHLLOKOSA-N 2 2 321.469 1.490 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000377260683 418707747 /nfs/dbraw/zinc/70/77/47/418707747.db2.gz FNSPHADYTFEKQR-CQSZACIVSA-N 2 2 303.410 1.362 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000377260683 418707749 /nfs/dbraw/zinc/70/77/49/418707749.db2.gz FNSPHADYTFEKQR-CQSZACIVSA-N 2 2 303.410 1.362 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773103 418715079 /nfs/dbraw/zinc/71/50/79/418715079.db2.gz HKBSXEWPWVRGLL-MSOLQXFVSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773103 418715081 /nfs/dbraw/zinc/71/50/81/418715081.db2.gz HKBSXEWPWVRGLL-MSOLQXFVSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773103 418715083 /nfs/dbraw/zinc/71/50/83/418715083.db2.gz HKBSXEWPWVRGLL-MSOLQXFVSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773103 418715084 /nfs/dbraw/zinc/71/50/84/418715084.db2.gz HKBSXEWPWVRGLL-MSOLQXFVSA-N 2 2 313.445 1.743 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000386794931 418740619 /nfs/dbraw/zinc/74/06/19/418740619.db2.gz MMTBSLGUVYWAJA-HIFRSBDPSA-N 2 2 300.362 1.173 20 30 DDEDLP C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363687312 418768924 /nfs/dbraw/zinc/76/89/24/418768924.db2.gz OFPRRMJQLHMHTN-YJBOKZPZSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363687312 418768926 /nfs/dbraw/zinc/76/89/26/418768926.db2.gz OFPRRMJQLHMHTN-YJBOKZPZSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364674337 418798764 /nfs/dbraw/zinc/79/87/64/418798764.db2.gz RSBYOOVHQYHLET-RDJZCZTQSA-N 2 2 302.422 1.308 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364674337 418798766 /nfs/dbraw/zinc/79/87/66/418798766.db2.gz RSBYOOVHQYHLET-RDJZCZTQSA-N 2 2 302.422 1.308 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364674337 418798768 /nfs/dbraw/zinc/79/87/68/418798768.db2.gz RSBYOOVHQYHLET-RDJZCZTQSA-N 2 2 302.422 1.308 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364674337 418798770 /nfs/dbraw/zinc/79/87/70/418798770.db2.gz RSBYOOVHQYHLET-RDJZCZTQSA-N 2 2 302.422 1.308 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000371633622 418806344 /nfs/dbraw/zinc/80/63/44/418806344.db2.gz RPJGHFWNRQCIFE-CQSZACIVSA-N 2 2 306.454 1.744 20 30 DDEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000489445330 421156106 /nfs/dbraw/zinc/15/61/06/421156106.db2.gz GKXGCXQHBBGTKJ-MRXNPFEDSA-N 2 2 317.433 1.964 20 30 DDEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000489445330 421156109 /nfs/dbraw/zinc/15/61/09/421156109.db2.gz GKXGCXQHBBGTKJ-MRXNPFEDSA-N 2 2 317.433 1.964 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530335654 421594584 /nfs/dbraw/zinc/59/45/84/421594584.db2.gz BBCSSGUTKMIQHS-GFCCVEGCSA-N 2 2 301.394 1.540 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935060 422221967 /nfs/dbraw/zinc/22/19/67/422221967.db2.gz MQTHLUBFHFHRGW-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935060 422221972 /nfs/dbraw/zinc/22/19/72/422221972.db2.gz MQTHLUBFHFHRGW-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935060 422221975 /nfs/dbraw/zinc/22/19/75/422221975.db2.gz MQTHLUBFHFHRGW-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935060 422221979 /nfs/dbraw/zinc/22/19/79/422221979.db2.gz MQTHLUBFHFHRGW-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C=CCCn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000653497747 423501663 /nfs/dbraw/zinc/50/16/63/423501663.db2.gz VWDJEVAPEIITPD-UHFFFAOYSA-N 2 2 319.453 1.398 20 30 DDEDLP C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000662794678 424770083 /nfs/dbraw/zinc/77/00/83/424770083.db2.gz HOCMXCWEXVOBDF-PBHICJAKSA-N 2 2 300.406 1.475 20 30 DDEDLP C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378344768 267041298 /nfs/dbraw/zinc/04/12/98/267041298.db2.gz CIRMPYLQSDEEPY-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378344768 267041302 /nfs/dbraw/zinc/04/13/02/267041302.db2.gz CIRMPYLQSDEEPY-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711595 267234713 /nfs/dbraw/zinc/23/47/13/267234713.db2.gz XPLHHHDZMADZDH-WMLDXEAASA-N 2 2 302.422 1.609 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711595 267234716 /nfs/dbraw/zinc/23/47/16/267234716.db2.gz XPLHHHDZMADZDH-WMLDXEAASA-N 2 2 302.422 1.609 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000363417464 300265357 /nfs/dbraw/zinc/26/53/57/300265357.db2.gz IOPMBDCZUGZABN-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000363417464 300265359 /nfs/dbraw/zinc/26/53/59/300265359.db2.gz IOPMBDCZUGZABN-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022855 /nfs/dbraw/zinc/02/28/55/308022855.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022856 /nfs/dbraw/zinc/02/28/56/308022856.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022858 /nfs/dbraw/zinc/02/28/58/308022858.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 2 2 305.422 1.490 20 30 DDEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1 ZINC000357003345 336569372 /nfs/dbraw/zinc/56/93/72/336569372.db2.gz OGDGILNWMMCPFP-UHFFFAOYSA-N 2 2 315.421 1.274 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009109 341243167 /nfs/dbraw/zinc/24/31/67/341243167.db2.gz QMAGUXKXWZFVLI-UONOGXRCSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009109 341243168 /nfs/dbraw/zinc/24/31/68/341243168.db2.gz QMAGUXKXWZFVLI-UONOGXRCSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000665941056 485037599 /nfs/dbraw/zinc/03/75/99/485037599.db2.gz SGDXDBPFHAPRRT-UHFFFAOYSA-N 2 2 308.470 1.764 20 30 DDEDLP C=CCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000665941056 485037607 /nfs/dbraw/zinc/03/76/07/485037607.db2.gz SGDXDBPFHAPRRT-UHFFFAOYSA-N 2 2 308.470 1.764 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491676334 526897907 /nfs/dbraw/zinc/89/79/07/526897907.db2.gz WDDFXXUMEBQXJH-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491676334 526897911 /nfs/dbraw/zinc/89/79/11/526897911.db2.gz WDDFXXUMEBQXJH-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)CNc2ccc3c[nH+]ccc3c2)CC1 ZINC000491794727 526952340 /nfs/dbraw/zinc/95/23/40/526952340.db2.gz SDTWQJLJWJBLMW-UHFFFAOYSA-N 2 2 308.385 1.424 20 30 DDEDLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330200382 528248543 /nfs/dbraw/zinc/24/85/43/528248543.db2.gz WPCFLRICNGFHHW-UONOGXRCSA-N 2 2 305.426 1.528 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742197 695723682 /nfs/dbraw/zinc/72/36/82/695723682.db2.gz MRIWOOLEQXIMLH-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742197 695723684 /nfs/dbraw/zinc/72/36/84/695723684.db2.gz MRIWOOLEQXIMLH-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981165822 697024089 /nfs/dbraw/zinc/02/40/89/697024089.db2.gz GSSRGZDLWPBCHK-LSDHHAIUSA-N 2 2 303.406 1.836 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981512985 697115857 /nfs/dbraw/zinc/11/58/57/697115857.db2.gz DYPATUWLOORUOP-UHFFFAOYSA-N 2 2 306.410 1.460 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981512985 697115858 /nfs/dbraw/zinc/11/58/58/697115858.db2.gz DYPATUWLOORUOP-UHFFFAOYSA-N 2 2 306.410 1.460 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752684 697568569 /nfs/dbraw/zinc/56/85/69/697568569.db2.gz ZXZAINZFBLMUBP-UHFFFAOYSA-N 2 2 310.829 1.638 20 30 DDEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752684 697568570 /nfs/dbraw/zinc/56/85/70/697568570.db2.gz ZXZAINZFBLMUBP-UHFFFAOYSA-N 2 2 310.829 1.638 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989736499 698745743 /nfs/dbraw/zinc/74/57/43/698745743.db2.gz POELARPRURTBRR-STQMWFEESA-N 2 2 310.829 1.684 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000730098582 699501060 /nfs/dbraw/zinc/50/10/60/699501060.db2.gz JWJZIVDTONKZPT-JKSUJKDBSA-N 2 2 317.433 1.876 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000730098582 699501061 /nfs/dbraw/zinc/50/10/61/699501061.db2.gz JWJZIVDTONKZPT-JKSUJKDBSA-N 2 2 317.433 1.876 20 30 DDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000866668691 706759296 /nfs/dbraw/zinc/75/92/96/706759296.db2.gz IEUMDSUGCRJPBU-INIZCTEOSA-N 2 2 301.390 1.833 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000852861134 704151762 /nfs/dbraw/zinc/15/17/62/704151762.db2.gz PCDZFPLRSSCWEL-UHFFFAOYSA-N 2 2 312.348 1.953 20 30 DDEDLP C#C[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000854074976 704353369 /nfs/dbraw/zinc/35/33/69/704353369.db2.gz JULBJJGPVIUDSK-GDBMZVCRSA-N 2 2 306.454 1.208 20 30 DDEDLP C#C[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000854074976 704353371 /nfs/dbraw/zinc/35/33/71/704353371.db2.gz JULBJJGPVIUDSK-GDBMZVCRSA-N 2 2 306.454 1.208 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000876727288 705842836 /nfs/dbraw/zinc/84/28/36/705842836.db2.gz HUOJTMANHWCXCV-ZDUSSCGKSA-N 2 2 308.813 1.637 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000894521769 711161584 /nfs/dbraw/zinc/16/15/84/711161584.db2.gz TVTZVYPGBIOQCM-UHFFFAOYSA-N 2 2 311.411 1.823 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000894521769 711161588 /nfs/dbraw/zinc/16/15/88/711161588.db2.gz TVTZVYPGBIOQCM-UHFFFAOYSA-N 2 2 311.411 1.823 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903805684 711286431 /nfs/dbraw/zinc/28/64/31/711286431.db2.gz RNFGSAJPQUESDR-NUJGCVRESA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903805684 711286435 /nfs/dbraw/zinc/28/64/35/711286435.db2.gz RNFGSAJPQUESDR-NUJGCVRESA-N 2 2 315.417 1.501 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000928647921 713249526 /nfs/dbraw/zinc/24/95/26/713249526.db2.gz BILUAUFDCFZCFR-INIZCTEOSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000928647921 713249527 /nfs/dbraw/zinc/24/95/27/713249527.db2.gz BILUAUFDCFZCFR-INIZCTEOSA-N 2 2 315.421 1.004 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1C#N ZINC000905465459 712045622 /nfs/dbraw/zinc/04/56/22/712045622.db2.gz QILPOCVBFPMUCL-OAHLLOKOSA-N 2 2 305.447 1.825 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000905465459 712045623 /nfs/dbraw/zinc/04/56/23/712045623.db2.gz QILPOCVBFPMUCL-OAHLLOKOSA-N 2 2 305.447 1.825 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157747 716840154 /nfs/dbraw/zinc/84/01/54/716840154.db2.gz NNTXWEQYGQKIQZ-CVEARBPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157747 716840156 /nfs/dbraw/zinc/84/01/56/716840156.db2.gz NNTXWEQYGQKIQZ-CVEARBPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256045 716884418 /nfs/dbraw/zinc/88/44/18/716884418.db2.gz QVRMTKDOTHTBGC-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256045 716884423 /nfs/dbraw/zinc/88/44/23/716884423.db2.gz QVRMTKDOTHTBGC-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851310 716993390 /nfs/dbraw/zinc/99/33/90/716993390.db2.gz VFCHXUVDDCOJLL-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851310 716993394 /nfs/dbraw/zinc/99/33/94/716993394.db2.gz 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C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377881 866604962 /nfs/dbraw/zinc/60/49/62/866604962.db2.gz JBFQOKLLXMYBHD-IRXDYDNUSA-N 3 2 322.497 1.474 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001325581107 868154748 /nfs/dbraw/zinc/15/47/48/868154748.db2.gz KVUOXCZKHBUFFF-GJZGRUSLSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317139593 870343075 /nfs/dbraw/zinc/34/30/75/870343075.db2.gz MEEQWGWSDSSISG-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317139593 870343086 /nfs/dbraw/zinc/34/30/86/870343086.db2.gz MEEQWGWSDSSISG-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317171811 870410632 /nfs/dbraw/zinc/41/06/32/870410632.db2.gz BLTWFRXCCRDRLK-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317171811 870410642 /nfs/dbraw/zinc/41/06/42/870410642.db2.gz BLTWFRXCCRDRLK-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317171811 870410652 /nfs/dbraw/zinc/41/06/52/870410652.db2.gz BLTWFRXCCRDRLK-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317171811 870410662 /nfs/dbraw/zinc/41/06/62/870410662.db2.gz BLTWFRXCCRDRLK-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC[NH+](CC)CCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001203266306 870521122 /nfs/dbraw/zinc/52/11/22/870521122.db2.gz XHKURZANVQWOKN-UHFFFAOYSA-N 2 2 316.409 1.864 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203806607 870770828 /nfs/dbraw/zinc/77/08/28/870770828.db2.gz IEHNEZDYXGZEAE-QGZVFWFLSA-N 2 2 321.465 1.254 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813430 870772730 /nfs/dbraw/zinc/77/27/30/870772730.db2.gz CPXRSWAZDVPZDA-JKSUJKDBSA-N 2 2 314.433 1.704 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccn2)CC1 ZINC001204064749 870913778 /nfs/dbraw/zinc/91/37/78/870913778.db2.gz BMYUODCCCGCEHT-UHFFFAOYSA-N 2 2 300.450 1.873 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533706 872421727 /nfs/dbraw/zinc/42/17/27/872421727.db2.gz RDZIMOPZCTZZBA-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533706 872421732 /nfs/dbraw/zinc/42/17/32/872421732.db2.gz RDZIMOPZCTZZBA-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001342911037 872433723 /nfs/dbraw/zinc/43/37/23/872433723.db2.gz FAUXUHCTBZYDGG-AWEZNQCLSA-N 2 2 303.410 1.537 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001346738252 873871625 /nfs/dbraw/zinc/87/16/25/873871625.db2.gz NLESZQVYQKSGIL-AWEZNQCLSA-N 2 2 301.394 1.020 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001346738252 873871642 /nfs/dbraw/zinc/87/16/42/873871642.db2.gz NLESZQVYQKSGIL-AWEZNQCLSA-N 2 2 301.394 1.020 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447825 874148195 /nfs/dbraw/zinc/14/81/95/874148195.db2.gz QZFDYOZWKPEORQ-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001378263764 874576253 /nfs/dbraw/zinc/57/62/53/874576253.db2.gz BEUHZIRWRKTBGV-QWHCGFSZSA-N 2 2 310.829 1.682 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209579727 874986444 /nfs/dbraw/zinc/98/64/44/874986444.db2.gz VFEFHHKNZABLPP-KGLIPLIRSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717186 875495683 /nfs/dbraw/zinc/49/56/83/875495683.db2.gz BITVTCXRNNSZDV-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210717186 875495687 /nfs/dbraw/zinc/49/56/87/875495687.db2.gz BITVTCXRNNSZDV-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C#Cc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2OC)cc[nH+]1 ZINC001213884399 876091529 /nfs/dbraw/zinc/09/15/29/876091529.db2.gz OIUUTRZUDGADFB-UHFFFAOYSA-N 2 2 308.385 1.647 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001379159399 876534907 /nfs/dbraw/zinc/53/49/07/876534907.db2.gz BKISPIVGSYYWLQ-KBPBESRZSA-N 2 2 310.829 1.900 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001379507739 877245821 /nfs/dbraw/zinc/24/58/21/877245821.db2.gz AAIPCLGXOHKAHR-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001379507739 877245836 /nfs/dbraw/zinc/24/58/36/877245836.db2.gz AAIPCLGXOHKAHR-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP C#CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001251893578 894873603 /nfs/dbraw/zinc/87/36/03/894873603.db2.gz GVSPZXLOSSMEQP-OALUTQOASA-N 2 2 316.445 1.294 20 30 DDEDLP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252490114 895207669 /nfs/dbraw/zinc/20/76/69/895207669.db2.gz DLAPEYWGNXOEQY-SFHVURJKSA-N 2 2 320.433 1.510 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001264520306 901165286 /nfs/dbraw/zinc/16/52/86/901165286.db2.gz JSDSKOWXOUNBBY-GDBMZVCRSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001280596484 903821287 /nfs/dbraw/zinc/82/12/87/903821287.db2.gz RNTJLISGFHMPIK-OAHLLOKOSA-N 2 2 320.437 1.320 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283904416 908163363 /nfs/dbraw/zinc/16/33/63/908163363.db2.gz FZTAFZDUYPGZMY-CABCVRRESA-N 2 2 320.437 1.134 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001284535976 909154026 /nfs/dbraw/zinc/15/40/26/909154026.db2.gz CYLWXBJYLOXAON-MRXNPFEDSA-N 2 2 316.449 1.638 20 30 DDEDLP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001284535976 909154039 /nfs/dbraw/zinc/15/40/39/909154039.db2.gz CYLWXBJYLOXAON-MRXNPFEDSA-N 2 2 316.449 1.638 20 30 DDEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377862532 923262543 /nfs/dbraw/zinc/26/25/43/923262543.db2.gz OKFNAGKALDREML-OLZOCXBDSA-N 2 2 311.389 1.507 20 30 DDEDLP C=CCOc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623617809 365959477 /nfs/dbraw/zinc/95/94/77/365959477.db2.gz PZRRTTVTHUGMLV-KRWDZBQOSA-N 2 2 317.433 1.681 20 30 DDEDLP C=CCOc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623617809 365959481 /nfs/dbraw/zinc/95/94/81/365959481.db2.gz PZRRTTVTHUGMLV-KRWDZBQOSA-N 2 2 317.433 1.681 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000068569483 353121224 /nfs/dbraw/zinc/12/12/24/353121224.db2.gz LPUMEAZVPUZGGG-UHFFFAOYSA-N 2 2 310.401 1.604 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000316551788 354503450 /nfs/dbraw/zinc/50/34/50/354503450.db2.gz DPCASTNBWMLLOL-HIFRSBDPSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000316551788 354503452 /nfs/dbraw/zinc/50/34/52/354503452.db2.gz DPCASTNBWMLLOL-HIFRSBDPSA-N 2 2 321.446 1.404 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000592185541 355528671 /nfs/dbraw/zinc/52/86/71/355528671.db2.gz XRYXZYGDEMFDKH-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000592185541 355528676 /nfs/dbraw/zinc/52/86/76/355528676.db2.gz XRYXZYGDEMFDKH-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP CCn1nncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691798 355968673 /nfs/dbraw/zinc/96/86/73/355968673.db2.gz LYPDFDKRJWQXLL-UHFFFAOYSA-N 2 2 324.432 1.924 20 30 DDEDLP N#CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595619692 356580235 /nfs/dbraw/zinc/58/02/35/356580235.db2.gz FMCIYJBNUAXRDU-FVQHAEBGSA-N 2 2 304.438 1.599 20 30 DDEDLP N#CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595619692 356580239 /nfs/dbraw/zinc/58/02/39/356580239.db2.gz FMCIYJBNUAXRDU-FVQHAEBGSA-N 2 2 304.438 1.599 20 30 DDEDLP N#CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595619692 356580240 /nfs/dbraw/zinc/58/02/40/356580240.db2.gz FMCIYJBNUAXRDU-FVQHAEBGSA-N 2 2 304.438 1.599 20 30 DDEDLP N#CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595619692 356580243 /nfs/dbraw/zinc/58/02/43/356580243.db2.gz FMCIYJBNUAXRDU-FVQHAEBGSA-N 2 2 304.438 1.599 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769828 356645668 /nfs/dbraw/zinc/64/56/68/356645668.db2.gz SYXORIVAQJNJFC-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769828 356645672 /nfs/dbraw/zinc/64/56/72/356645672.db2.gz SYXORIVAQJNJFC-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000566088945 304115114 /nfs/dbraw/zinc/11/51/14/304115114.db2.gz RLJCBFMZSMFTSP-XKQJLSEDSA-N 2 2 312.417 1.389 20 30 DDEDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242842 304132305 /nfs/dbraw/zinc/13/23/05/304132305.db2.gz MXDCANSXQKGPFX-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242842 304132307 /nfs/dbraw/zinc/13/23/07/304132307.db2.gz MXDCANSXQKGPFX-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242842 304132310 /nfs/dbraw/zinc/13/23/10/304132310.db2.gz MXDCANSXQKGPFX-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242842 304132311 /nfs/dbraw/zinc/13/23/11/304132311.db2.gz MXDCANSXQKGPFX-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000263279869 296362676 /nfs/dbraw/zinc/36/26/76/296362676.db2.gz ZSNSZGZSJMDJRJ-ILXRZTDVSA-N 2 2 310.486 1.921 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123858180 407341184 /nfs/dbraw/zinc/34/11/84/407341184.db2.gz ZJJFIGFBSRPDCF-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C ZINC000123858180 407341185 /nfs/dbraw/zinc/34/11/85/407341185.db2.gz ZJJFIGFBSRPDCF-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858180 407341187 /nfs/dbraw/zinc/34/11/87/407341187.db2.gz ZJJFIGFBSRPDCF-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858180 407341188 /nfs/dbraw/zinc/34/11/88/407341188.db2.gz ZJJFIGFBSRPDCF-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154561 407348561 /nfs/dbraw/zinc/34/85/61/407348561.db2.gz KCWLQNJOKFMNDC-KRWDZBQOSA-N 2 2 318.465 1.838 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154561 407348562 /nfs/dbraw/zinc/34/85/62/407348562.db2.gz KCWLQNJOKFMNDC-KRWDZBQOSA-N 2 2 318.465 1.838 20 30 DDEDLP Cn1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C#N ZINC000191185769 408384289 /nfs/dbraw/zinc/38/42/89/408384289.db2.gz IQCIECQCDZIVOT-UHFFFAOYSA-N 2 2 301.438 1.110 20 30 DDEDLP C#CCSCCNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160062935 408454885 /nfs/dbraw/zinc/45/48/85/408454885.db2.gz QOTYEVJWHDWCPT-LSDHHAIUSA-N 2 2 319.478 1.708 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000270699681 408643553 /nfs/dbraw/zinc/64/35/53/408643553.db2.gz XRVFJIWLAONUOV-UHFFFAOYSA-N 2 2 305.426 1.130 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000270699681 408643558 /nfs/dbraw/zinc/64/35/58/408643558.db2.gz XRVFJIWLAONUOV-UHFFFAOYSA-N 2 2 305.426 1.130 20 30 DDEDLP Cc1[nH+]ccn1CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000270699681 408643560 /nfs/dbraw/zinc/64/35/60/408643560.db2.gz XRVFJIWLAONUOV-UHFFFAOYSA-N 2 2 305.426 1.130 20 30 DDEDLP CN(C)C(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000289352121 409252634 /nfs/dbraw/zinc/25/26/34/409252634.db2.gz HLHLQHNNYRJAHN-UHFFFAOYSA-N 2 2 318.421 1.398 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000317682965 409870265 /nfs/dbraw/zinc/87/02/65/409870265.db2.gz HXMHHKVMFINLHE-DLBZAZTESA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000317682965 409870272 /nfs/dbraw/zinc/87/02/72/409870272.db2.gz HXMHHKVMFINLHE-DLBZAZTESA-N 2 2 300.402 1.651 20 30 DDEDLP C=C(Br)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367117016 418561367 /nfs/dbraw/zinc/56/13/67/418561367.db2.gz KCHBFSKPJKLEAA-AWEZNQCLSA-N 2 2 316.287 1.854 20 30 DDEDLP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262022623 222270962 /nfs/dbraw/zinc/27/09/62/222270962.db2.gz ZCXPQRVOPQSWSW-GJZGRUSLSA-N 3 2 320.485 1.730 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1nc(C)cs1 ZINC000262947385 222298992 /nfs/dbraw/zinc/29/89/92/222298992.db2.gz AYDOBAXXZURTOY-UHFFFAOYSA-N 2 2 318.450 1.850 20 30 DDEDLP C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365279464 418848454 /nfs/dbraw/zinc/84/84/54/418848454.db2.gz YQWPCJXTINOEFZ-AZUAARDMSA-N 2 2 311.473 1.996 20 30 DDEDLP C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365279464 418848456 /nfs/dbraw/zinc/84/84/56/418848456.db2.gz YQWPCJXTINOEFZ-AZUAARDMSA-N 2 2 311.473 1.996 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000527297865 421375559 /nfs/dbraw/zinc/37/55/59/421375559.db2.gz AAYRIJADYJOLDB-STQMWFEESA-N 2 2 301.394 1.540 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000527297865 421375561 /nfs/dbraw/zinc/37/55/61/421375561.db2.gz AAYRIJADYJOLDB-STQMWFEESA-N 2 2 301.394 1.540 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000515832485 421518301 /nfs/dbraw/zinc/51/83/01/421518301.db2.gz XOFDLHDHPPTOOM-IXDOHACOSA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000515832485 421518303 /nfs/dbraw/zinc/51/83/03/421518303.db2.gz XOFDLHDHPPTOOM-IXDOHACOSA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000515832485 421518305 /nfs/dbraw/zinc/51/83/05/421518305.db2.gz XOFDLHDHPPTOOM-IXDOHACOSA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000515832485 421518307 /nfs/dbraw/zinc/51/83/07/421518307.db2.gz XOFDLHDHPPTOOM-IXDOHACOSA-N 2 2 324.513 1.539 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000662663844 424727005 /nfs/dbraw/zinc/72/70/05/424727005.db2.gz KXQLCUXLMWXAAB-RDJZCZTQSA-N 2 2 307.438 1.008 20 30 DDEDLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000113516216 289195879 /nfs/dbraw/zinc/19/58/79/289195879.db2.gz JVMCBIKTMCGEPI-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000113516216 289195881 /nfs/dbraw/zinc/19/58/81/289195881.db2.gz JVMCBIKTMCGEPI-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP C=CCN1CC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000352835354 336271865 /nfs/dbraw/zinc/27/18/65/336271865.db2.gz XYTDYMNGOJAZOX-INIZCTEOSA-N 2 2 309.454 1.252 20 30 DDEDLP CC#CC[NH2+]Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468288 484154303 /nfs/dbraw/zinc/15/43/03/484154303.db2.gz JHZDENGYDWWPBC-SFHVURJKSA-N 2 2 323.444 1.913 20 30 DDEDLP CC#CC[NH2+]Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468288 484154310 /nfs/dbraw/zinc/15/43/10/484154310.db2.gz JHZDENGYDWWPBC-SFHVURJKSA-N 2 2 323.444 1.913 20 30 DDEDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000330829346 526399426 /nfs/dbraw/zinc/39/94/26/526399426.db2.gz XHWYSZOSUKPBKZ-ZDUSSCGKSA-N 2 2 321.425 1.424 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422974537 526604142 /nfs/dbraw/zinc/60/41/42/526604142.db2.gz FDGHNKNHQCMIAN-KZNAEPCWSA-N 3 2 307.482 1.774 20 30 DDEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000342739288 527319882 /nfs/dbraw/zinc/31/98/82/527319882.db2.gz UXIIRIQPMDEEDR-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000342739288 527319888 /nfs/dbraw/zinc/31/98/88/527319888.db2.gz UXIIRIQPMDEEDR-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350092370 528360747 /nfs/dbraw/zinc/36/07/47/528360747.db2.gz QKOJDEWHFIHERO-MRXNPFEDSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350092370 528360754 /nfs/dbraw/zinc/36/07/54/528360754.db2.gz QKOJDEWHFIHERO-MRXNPFEDSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350092370 528360757 /nfs/dbraw/zinc/36/07/57/528360757.db2.gz QKOJDEWHFIHERO-MRXNPFEDSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350092370 528360761 /nfs/dbraw/zinc/36/07/61/528360761.db2.gz QKOJDEWHFIHERO-MRXNPFEDSA-N 2 2 306.454 1.412 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000329678975 528984843 /nfs/dbraw/zinc/98/48/43/528984843.db2.gz XGSLVIGGCUIGQE-AWEZNQCLSA-N 2 2 315.483 1.225 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000329678975 528984850 /nfs/dbraw/zinc/98/48/50/528984850.db2.gz XGSLVIGGCUIGQE-AWEZNQCLSA-N 2 2 315.483 1.225 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228057 696713391 /nfs/dbraw/zinc/71/33/91/696713391.db2.gz FQXUAWMIYIYKNK-HRCADAONSA-N 2 2 314.433 1.501 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980228057 696713393 /nfs/dbraw/zinc/71/33/93/696713393.db2.gz FQXUAWMIYIYKNK-HRCADAONSA-N 2 2 314.433 1.501 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC000971703555 695069173 /nfs/dbraw/zinc/06/91/73/695069173.db2.gz HRPPEZFTZIGFGY-GJZGRUSLSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC000971703555 695069176 /nfs/dbraw/zinc/06/91/76/695069176.db2.gz HRPPEZFTZIGFGY-GJZGRUSLSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(=C)Cl)C1 ZINC000971703555 695069179 /nfs/dbraw/zinc/06/91/79/695069179.db2.gz HRPPEZFTZIGFGY-GJZGRUSLSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(=C)Cl)C1 ZINC000971703555 695069182 /nfs/dbraw/zinc/06/91/82/695069182.db2.gz HRPPEZFTZIGFGY-GJZGRUSLSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC000974686483 695711805 /nfs/dbraw/zinc/71/18/05/695711805.db2.gz OYJSTRBFKWRXID-DLBZAZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC000974686483 695711807 /nfs/dbraw/zinc/71/18/07/695711807.db2.gz OYJSTRBFKWRXID-DLBZAZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)CC1(C)C ZINC000974686483 695711808 /nfs/dbraw/zinc/71/18/08/695711808.db2.gz OYJSTRBFKWRXID-DLBZAZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)CC1(C)C ZINC000974686483 695711809 /nfs/dbraw/zinc/71/18/09/695711809.db2.gz OYJSTRBFKWRXID-DLBZAZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740792 695723265 /nfs/dbraw/zinc/72/32/65/695723265.db2.gz HRSUEFQEQJHQTJ-ZFWWWQNUSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740792 695723266 /nfs/dbraw/zinc/72/32/66/695723266.db2.gz HRSUEFQEQJHQTJ-ZFWWWQNUSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980940 695772778 /nfs/dbraw/zinc/77/27/78/695772778.db2.gz XZCOEBBGZSTJGF-AWEZNQCLSA-N 2 2 305.422 1.967 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980940 695772780 /nfs/dbraw/zinc/77/27/80/695772780.db2.gz XZCOEBBGZSTJGF-AWEZNQCLSA-N 2 2 305.422 1.967 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978287297 696358596 /nfs/dbraw/zinc/35/85/96/696358596.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978287297 696358599 /nfs/dbraw/zinc/35/85/99/696358599.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978287297 696358602 /nfs/dbraw/zinc/35/86/02/696358602.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978287297 696358605 /nfs/dbraw/zinc/35/86/05/696358605.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851231 696942737 /nfs/dbraw/zinc/94/27/37/696942737.db2.gz KCUJGIRBMHOMNO-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851231 696942739 /nfs/dbraw/zinc/94/27/39/696942739.db2.gz KCUJGIRBMHOMNO-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893653 696959660 /nfs/dbraw/zinc/95/96/60/696959660.db2.gz JTVOOKIFKKHBMZ-UHFFFAOYSA-N 2 2 322.840 1.868 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893653 696959663 /nfs/dbraw/zinc/95/96/63/696959663.db2.gz JTVOOKIFKKHBMZ-UHFFFAOYSA-N 2 2 322.840 1.868 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436114 697096472 /nfs/dbraw/zinc/09/64/72/697096472.db2.gz FWTRMTXSIBMMIH-CABCVRRESA-N 2 2 323.400 1.531 20 30 DDEDLP Cc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000303789972 698607167 /nfs/dbraw/zinc/60/71/67/698607167.db2.gz VZZYSLQPSNAOGG-KRWDZBQOSA-N 2 2 317.481 1.994 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)c1ccc(F)cc1 ZINC000303894464 698609766 /nfs/dbraw/zinc/60/97/66/698609766.db2.gz OWEGNSHUPXISLK-AWEZNQCLSA-N 2 2 310.442 1.792 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468054 699330898 /nfs/dbraw/zinc/33/08/98/699330898.db2.gz BEKLXFLWSRMPED-UWWQBHOKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468054 699330901 /nfs/dbraw/zinc/33/09/01/699330901.db2.gz BEKLXFLWSRMPED-UWWQBHOKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CCNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000758258494 700695159 /nfs/dbraw/zinc/69/51/59/700695159.db2.gz RQRXJULWVKGYPG-UHFFFAOYSA-N 2 2 308.495 1.034 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166347 706648461 /nfs/dbraw/zinc/64/84/61/706648461.db2.gz UBDUSSZBLAVLTM-ZACQAIPSSA-N 2 2 323.481 1.329 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166347 706648463 /nfs/dbraw/zinc/64/84/63/706648463.db2.gz UBDUSSZBLAVLTM-ZACQAIPSSA-N 2 2 323.481 1.329 20 30 DDEDLP COc1cc(C#N)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824957834 705566961 /nfs/dbraw/zinc/56/69/61/705566961.db2.gz PUGCWEAAYOXKSD-UHFFFAOYSA-N 2 2 318.421 1.180 20 30 DDEDLP COc1cc(C#N)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824957834 705566965 /nfs/dbraw/zinc/56/69/65/705566965.db2.gz PUGCWEAAYOXKSD-UHFFFAOYSA-N 2 2 318.421 1.180 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825179776 705617782 /nfs/dbraw/zinc/61/77/82/705617782.db2.gz DKQHZQIYVOSQDX-ROUUACIJSA-N 2 2 311.429 1.566 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825179776 705617785 /nfs/dbraw/zinc/61/77/85/705617785.db2.gz DKQHZQIYVOSQDX-ROUUACIJSA-N 2 2 311.429 1.566 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000876727287 705843107 /nfs/dbraw/zinc/84/31/07/705843107.db2.gz HUOJTMANHWCXCV-CYBMUJFWSA-N 2 2 308.813 1.637 20 30 DDEDLP C=CC[C@@H](C(=O)OC)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321224 706358352 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20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669232 709704187 /nfs/dbraw/zinc/70/41/87/709704187.db2.gz JLLSZAVJUYRFFG-KRWDZBQOSA-N 3 2 322.497 1.121 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921655436 713832856 /nfs/dbraw/zinc/83/28/56/713832856.db2.gz ZZNMINHKTIUKDK-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921655436 713832858 /nfs/dbraw/zinc/83/28/58/713832858.db2.gz ZZNMINHKTIUKDK-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000923574024 714412217 /nfs/dbraw/zinc/41/22/17/714412217.db2.gz CGARYJLCRJAZFE-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000923574024 714412220 /nfs/dbraw/zinc/41/22/20/714412220.db2.gz CGARYJLCRJAZFE-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C1 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CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721273 733484485 /nfs/dbraw/zinc/48/44/85/733484485.db2.gz DHPJDFWIPLYTDW-NVXWUHKLSA-N 2 2 314.433 1.597 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721273 733484489 /nfs/dbraw/zinc/48/44/89/733484489.db2.gz DHPJDFWIPLYTDW-NVXWUHKLSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624749 735990757 /nfs/dbraw/zinc/99/07/57/735990757.db2.gz ZBGXLYGEPVBDNE-CVEARBPZSA-N 2 2 314.433 1.358 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624749 735990758 /nfs/dbraw/zinc/99/07/58/735990758.db2.gz ZBGXLYGEPVBDNE-CVEARBPZSA-N 2 2 314.433 1.358 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303085 736413142 /nfs/dbraw/zinc/41/31/42/736413142.db2.gz CWQSKZLXUUSBKL-CVEARBPZSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303085 736413143 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SGWKOKLNJIGHFO-UHFFFAOYSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001105734252 743768675 /nfs/dbraw/zinc/76/86/75/743768675.db2.gz HVBPXELGTJXSJV-UHFFFAOYSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001105734252 743768676 /nfs/dbraw/zinc/76/86/76/743768676.db2.gz HVBPXELGTJXSJV-UHFFFAOYSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491353 744245258 /nfs/dbraw/zinc/24/52/58/744245258.db2.gz GZBHRTXPIJJDKN-ZIAGYGMSSA-N 2 2 302.422 1.395 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586437 744253869 /nfs/dbraw/zinc/25/38/69/744253869.db2.gz MPHHKYBCGIBNFW-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035808768 751912241 /nfs/dbraw/zinc/91/22/41/751912241.db2.gz YNONRJHXOWZUCO-UHFFFAOYSA-N 2 2 314.433 1.564 20 30 DDEDLP 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752281098 /nfs/dbraw/zinc/28/10/98/752281098.db2.gz SJGWSMFUNWFTKQ-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007700118 752281102 /nfs/dbraw/zinc/28/11/02/752281102.db2.gz SJGWSMFUNWFTKQ-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700118 752281106 /nfs/dbraw/zinc/28/11/06/752281106.db2.gz SJGWSMFUNWFTKQ-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700118 752281109 /nfs/dbraw/zinc/28/11/09/752281109.db2.gz SJGWSMFUNWFTKQ-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881315 748669116 /nfs/dbraw/zinc/66/91/16/748669116.db2.gz QXVHJELFSGJYNB-FZKCQIBNSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881315 748669120 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KBMXHXWISLCAFF-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365095 749253430 /nfs/dbraw/zinc/25/34/30/749253430.db2.gz KBMXHXWISLCAFF-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365095 749253433 /nfs/dbraw/zinc/25/34/33/749253433.db2.gz KBMXHXWISLCAFF-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365095 749253435 /nfs/dbraw/zinc/25/34/35/749253435.db2.gz KBMXHXWISLCAFF-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995976062 749311513 /nfs/dbraw/zinc/31/15/13/749311513.db2.gz PIKSZYPSLHQDNI-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995978296 749312360 /nfs/dbraw/zinc/31/23/60/749312360.db2.gz HNUNSCUVBZOSGI-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP 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CGGOPEPQFOMYAU-JJXSEGSLSA-N 2 2 300.406 1.579 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111077929 750352218 /nfs/dbraw/zinc/35/22/18/750352218.db2.gz CGGOPEPQFOMYAU-JJXSEGSLSA-N 2 2 300.406 1.579 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909523 750615997 /nfs/dbraw/zinc/61/59/97/750615997.db2.gz YQBCKJLZGQRMEC-MRXNPFEDSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909523 750616001 /nfs/dbraw/zinc/61/60/01/750616001.db2.gz YQBCKJLZGQRMEC-MRXNPFEDSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001032482679 750986238 /nfs/dbraw/zinc/98/62/38/750986238.db2.gz JGLPWFFVURKZBG-BPUTZDHNSA-N 2 2 300.406 1.307 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001032482679 750986242 /nfs/dbraw/zinc/98/62/42/750986242.db2.gz JGLPWFFVURKZBG-BPUTZDHNSA-N 2 2 300.406 1.307 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000700170 762107942 /nfs/dbraw/zinc/10/79/42/762107942.db2.gz MHSCOXRPBNUNAM-UKRRQHHQSA-N 2 2 311.857 1.827 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000700170 762107947 /nfs/dbraw/zinc/10/79/47/762107947.db2.gz MHSCOXRPBNUNAM-UKRRQHHQSA-N 2 2 311.857 1.827 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000700170 762107949 /nfs/dbraw/zinc/10/79/49/762107949.db2.gz MHSCOXRPBNUNAM-UKRRQHHQSA-N 2 2 311.857 1.827 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000700170 762107953 /nfs/dbraw/zinc/10/79/53/762107953.db2.gz MHSCOXRPBNUNAM-UKRRQHHQSA-N 2 2 311.857 1.827 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001036275489 752345893 /nfs/dbraw/zinc/34/58/93/752345893.db2.gz IMSHKXXMXRQUIF-SWLSCSKDSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC001039648343 762146801 /nfs/dbraw/zinc/14/68/01/762146801.db2.gz JENAAQPSQPWKGU-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039648343 762146804 /nfs/dbraw/zinc/14/68/04/762146804.db2.gz JENAAQPSQPWKGU-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039648343 762146805 /nfs/dbraw/zinc/14/68/05/762146805.db2.gz JENAAQPSQPWKGU-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039648343 762146807 /nfs/dbraw/zinc/14/68/07/762146807.db2.gz JENAAQPSQPWKGU-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999538855 752982117 /nfs/dbraw/zinc/98/21/17/752982117.db2.gz ZQNJIFMBQBXROG-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999538855 752982120 /nfs/dbraw/zinc/98/21/20/752982120.db2.gz ZQNJIFMBQBXROG-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999788012 753164781 /nfs/dbraw/zinc/16/47/81/753164781.db2.gz AFVLLTBTBPFQQR-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999788012 753164787 /nfs/dbraw/zinc/16/47/87/753164787.db2.gz AFVLLTBTBPFQQR-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436036 762194579 /nfs/dbraw/zinc/19/45/79/762194579.db2.gz HZQVUDMGWCHYID-WBVHZDCISA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436036 762194580 /nfs/dbraw/zinc/19/45/80/762194580.db2.gz HZQVUDMGWCHYID-WBVHZDCISA-N 2 2 320.437 1.445 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855169 762271019 /nfs/dbraw/zinc/27/10/19/762271019.db2.gz OIVVSSMCNLBLHX-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855169 762271023 /nfs/dbraw/zinc/27/10/23/762271023.db2.gz OIVVSSMCNLBLHX-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001169204446 762276213 /nfs/dbraw/zinc/27/62/13/762276213.db2.gz JYRDCYNNDNRYKT-UHFFFAOYSA-N 2 2 303.391 1.181 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442717 754445450 /nfs/dbraw/zinc/44/54/50/754445450.db2.gz VHKWTIKONYCKDN-OWCLPIDISA-N 2 2 320.437 1.472 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001212442717 754445453 /nfs/dbraw/zinc/44/54/53/754445453.db2.gz VHKWTIKONYCKDN-OWCLPIDISA-N 2 2 320.437 1.472 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001079878285 755617966 /nfs/dbraw/zinc/61/79/66/755617966.db2.gz QDQUYOGFOOMGJI-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001079878285 755617970 /nfs/dbraw/zinc/61/79/70/755617970.db2.gz QDQUYOGFOOMGJI-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001079878285 755617971 /nfs/dbraw/zinc/61/79/71/755617971.db2.gz QDQUYOGFOOMGJI-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001079878285 755617973 /nfs/dbraw/zinc/61/79/73/755617973.db2.gz QDQUYOGFOOMGJI-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992151 755667629 /nfs/dbraw/zinc/66/76/29/755667629.db2.gz ZQUKNCARZYORDK-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992151 755667632 /nfs/dbraw/zinc/66/76/32/755667632.db2.gz ZQUKNCARZYORDK-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040180961 762427514 /nfs/dbraw/zinc/42/75/14/762427514.db2.gz LZQURFAWDGZMCA-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040180961 762427516 /nfs/dbraw/zinc/42/75/16/762427516.db2.gz LZQURFAWDGZMCA-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015982930 756696471 /nfs/dbraw/zinc/69/64/71/756696471.db2.gz XTNPBLZUTSAKMU-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001015982930 756696475 /nfs/dbraw/zinc/69/64/75/756696475.db2.gz XTNPBLZUTSAKMU-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082947213 756974316 /nfs/dbraw/zinc/97/43/16/756974316.db2.gz JPBXOQPNTAFWHS-BMFZPTHFSA-N 2 2 302.422 1.307 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773048 757901451 /nfs/dbraw/zinc/90/14/51/757901451.db2.gz AKLCSYBNTSMPQH-RRFJBIMHSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773048 757901457 /nfs/dbraw/zinc/90/14/57/757901457.db2.gz AKLCSYBNTSMPQH-RRFJBIMHSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773048 757901468 /nfs/dbraw/zinc/90/14/68/757901468.db2.gz AKLCSYBNTSMPQH-RRFJBIMHSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773048 757901475 /nfs/dbraw/zinc/90/14/75/757901475.db2.gz AKLCSYBNTSMPQH-RRFJBIMHSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903840 758044726 /nfs/dbraw/zinc/04/47/26/758044726.db2.gz SJRMGTPQRBYLJE-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084903840 758044736 /nfs/dbraw/zinc/04/47/36/758044736.db2.gz SJRMGTPQRBYLJE-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903840 758044744 /nfs/dbraw/zinc/04/47/44/758044744.db2.gz SJRMGTPQRBYLJE-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084903840 758044753 /nfs/dbraw/zinc/04/47/53/758044753.db2.gz SJRMGTPQRBYLJE-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)CC1 ZINC001052987423 758050468 /nfs/dbraw/zinc/05/04/68/758050468.db2.gz LFXHGUGURLNZNM-BHYGNILZSA-N 2 2 318.465 1.694 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)CC1 ZINC001052987423 758050477 /nfs/dbraw/zinc/05/04/77/758050477.db2.gz LFXHGUGURLNZNM-BHYGNILZSA-N 2 2 318.465 1.694 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053604148 758623373 /nfs/dbraw/zinc/62/33/73/758623373.db2.gz WQZOVHBZQBENOJ-OWCLPIDISA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053604148 758623380 /nfs/dbraw/zinc/62/33/80/758623380.db2.gz WQZOVHBZQBENOJ-OWCLPIDISA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053799467 758826700 /nfs/dbraw/zinc/82/67/00/758826700.db2.gz VWWVPVFCJRXXNH-HZPDHXFCSA-N 2 2 321.465 1.395 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053799467 758826705 /nfs/dbraw/zinc/82/67/05/758826705.db2.gz VWWVPVFCJRXXNH-HZPDHXFCSA-N 2 2 321.465 1.395 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053926655 758964578 /nfs/dbraw/zinc/96/45/78/758964578.db2.gz KOKLQBXVJRLNSZ-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053926655 758964585 /nfs/dbraw/zinc/96/45/85/758964585.db2.gz KOKLQBXVJRLNSZ-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001040793448 762683298 /nfs/dbraw/zinc/68/32/98/762683298.db2.gz VXJDVEKGPUICGM-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001019279941 759756585 /nfs/dbraw/zinc/75/65/85/759756585.db2.gz YTXJBVZMQJRECZ-HOCLYGCPSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001019279941 759756590 /nfs/dbraw/zinc/75/65/90/759756590.db2.gz YTXJBVZMQJRECZ-HOCLYGCPSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682218 759998924 /nfs/dbraw/zinc/99/89/24/759998924.db2.gz PKGJQEYQGPPGFR-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682218 759998929 /nfs/dbraw/zinc/99/89/29/759998929.db2.gz PKGJQEYQGPPGFR-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001019514018 760014167 /nfs/dbraw/zinc/01/41/67/760014167.db2.gz CUKLIGPSMRUWFO-HNNXBMFYSA-N 2 2 312.417 1.952 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108208201 760135177 /nfs/dbraw/zinc/13/51/77/760135177.db2.gz YMHJRNADAODGOA-RDJZCZTQSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108208201 760135184 /nfs/dbraw/zinc/13/51/84/760135184.db2.gz YMHJRNADAODGOA-RDJZCZTQSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001086456841 761639883 /nfs/dbraw/zinc/63/98/83/761639883.db2.gz YHTUTSGDXUDWBX-ZOBUZTSGSA-N 2 2 321.465 1.300 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001086456841 761639887 /nfs/dbraw/zinc/63/98/87/761639887.db2.gz YHTUTSGDXUDWBX-ZOBUZTSGSA-N 2 2 321.465 1.300 20 30 DDEDLP C=CCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040896082 762726339 /nfs/dbraw/zinc/72/63/39/762726339.db2.gz JOPMBDIFJNBXIG-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001560188 762960861 /nfs/dbraw/zinc/96/08/61/762960861.db2.gz GJDRXUSHIQVIBN-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001568176 762968438 /nfs/dbraw/zinc/96/84/38/762968438.db2.gz AIESWKMDNNPMOH-UHFFFAOYSA-N 2 2 318.421 1.201 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050069666 763086414 /nfs/dbraw/zinc/08/64/14/763086414.db2.gz MPPXLNOSLSZDNM-KLZNWCGWSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050069666 763086421 /nfs/dbraw/zinc/08/64/21/763086421.db2.gz MPPXLNOSLSZDNM-KLZNWCGWSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050069666 763086424 /nfs/dbraw/zinc/08/64/24/763086424.db2.gz MPPXLNOSLSZDNM-KLZNWCGWSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050069666 763086429 /nfs/dbraw/zinc/08/64/29/763086429.db2.gz MPPXLNOSLSZDNM-KLZNWCGWSA-N 2 2 312.417 1.459 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041732457 763266601 /nfs/dbraw/zinc/26/66/01/763266601.db2.gz JLWGADPTQRGHOO-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041732457 763266604 /nfs/dbraw/zinc/26/66/04/763266604.db2.gz JLWGADPTQRGHOO-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041732457 763266610 /nfs/dbraw/zinc/26/66/10/763266610.db2.gz JLWGADPTQRGHOO-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041732457 763266616 /nfs/dbraw/zinc/26/66/16/763266616.db2.gz JLWGADPTQRGHOO-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041811137 763364169 /nfs/dbraw/zinc/36/41/69/763364169.db2.gz MFTUWXWMMATMQJ-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041811137 763364175 /nfs/dbraw/zinc/36/41/75/763364175.db2.gz MFTUWXWMMATMQJ-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832596 763383802 /nfs/dbraw/zinc/38/38/02/763383802.db2.gz CISADOIJLBQYEG-MRXNPFEDSA-N 2 2 322.840 1.868 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832596 763383807 /nfs/dbraw/zinc/38/38/07/763383807.db2.gz CISADOIJLBQYEG-MRXNPFEDSA-N 2 2 322.840 1.868 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001113335988 765578548 /nfs/dbraw/zinc/57/85/48/765578548.db2.gz ZDRSFOMJHLEWMW-CQSZACIVSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500790 765890150 /nfs/dbraw/zinc/89/01/50/765890150.db2.gz PICOODKIMVJIPW-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500790 765890157 /nfs/dbraw/zinc/89/01/57/765890157.db2.gz PICOODKIMVJIPW-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555324 765951564 /nfs/dbraw/zinc/95/15/64/765951564.db2.gz PZCQRIMUFUCDSC-HNNXBMFYSA-N 2 2 310.401 1.942 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555324 765951571 /nfs/dbraw/zinc/95/15/71/765951571.db2.gz PZCQRIMUFUCDSC-HNNXBMFYSA-N 2 2 310.401 1.942 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619948 766790582 /nfs/dbraw/zinc/79/05/82/766790582.db2.gz PUAYCIQFZTVAEP-ZWKOTPCHSA-N 2 2 324.428 1.733 20 30 DDEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086619948 766790591 /nfs/dbraw/zinc/79/05/91/766790591.db2.gz PUAYCIQFZTVAEP-ZWKOTPCHSA-N 2 2 324.428 1.733 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170473601 767165897 /nfs/dbraw/zinc/16/58/97/767165897.db2.gz ZTZXYLPOLNIEMQ-HNNXBMFYSA-N 2 2 320.437 1.257 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132365065 768779194 /nfs/dbraw/zinc/77/91/94/768779194.db2.gz HGQMHXQSDBKHLF-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132365065 768779200 /nfs/dbraw/zinc/77/92/00/768779200.db2.gz HGQMHXQSDBKHLF-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134515 769519157 /nfs/dbraw/zinc/51/91/57/769519157.db2.gz FATGXZJOPRUMKH-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048874522 770028793 /nfs/dbraw/zinc/02/87/93/770028793.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048874522 770028803 /nfs/dbraw/zinc/02/88/03/770028803.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048874522 770028812 /nfs/dbraw/zinc/02/88/12/770028812.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048874522 770028824 /nfs/dbraw/zinc/02/88/24/770028824.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664490 770118484 /nfs/dbraw/zinc/11/84/84/770118484.db2.gz RVMJOQWBQNGJFC-INIZCTEOSA-N 2 2 322.412 1.587 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049066799 770315794 /nfs/dbraw/zinc/31/57/94/770315794.db2.gz PTOBRMBSNDSOGM-LXTVHRRPSA-N 2 2 300.406 1.100 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049066799 770315804 /nfs/dbraw/zinc/31/58/04/770315804.db2.gz PTOBRMBSNDSOGM-LXTVHRRPSA-N 2 2 300.406 1.100 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084615 770525718 /nfs/dbraw/zinc/52/57/18/770525718.db2.gz FRHUUTMQQMNLMA-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084615 770525724 /nfs/dbraw/zinc/52/57/24/770525724.db2.gz FRHUUTMQQMNLMA-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197569 770532130 /nfs/dbraw/zinc/53/21/30/770532130.db2.gz IRNAQRUATXNKDW-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197569 770532137 /nfs/dbraw/zinc/53/21/37/770532137.db2.gz IRNAQRUATXNKDW-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049897007 771242530 /nfs/dbraw/zinc/24/25/30/771242530.db2.gz PPUCDJXCHDBUCQ-CABCVRRESA-N 2 2 311.857 1.900 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049897007 771242533 /nfs/dbraw/zinc/24/25/33/771242533.db2.gz PPUCDJXCHDBUCQ-CABCVRRESA-N 2 2 311.857 1.900 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519946 772887125 /nfs/dbraw/zinc/88/71/25/772887125.db2.gz PWSLBFVUYCEQDJ-CQSZACIVSA-N 2 2 313.405 1.941 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001074718326 774082889 /nfs/dbraw/zinc/08/28/89/774082889.db2.gz JDKNOTKEKZTRBW-ZNMIVQPWSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001098663961 774633828 /nfs/dbraw/zinc/63/38/28/774633828.db2.gz JTDPNWZREMWALA-HNNXBMFYSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899972 775400299 /nfs/dbraw/zinc/40/02/99/775400299.db2.gz ZFSVQTNFALEVGH-STQMWFEESA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899972 775400304 /nfs/dbraw/zinc/40/03/04/775400304.db2.gz ZFSVQTNFALEVGH-STQMWFEESA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899972 775400313 /nfs/dbraw/zinc/40/03/13/775400313.db2.gz ZFSVQTNFALEVGH-STQMWFEESA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899972 775400321 /nfs/dbraw/zinc/40/03/21/775400321.db2.gz ZFSVQTNFALEVGH-STQMWFEESA-N 2 2 317.861 1.021 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172133278 776634846 /nfs/dbraw/zinc/63/48/46/776634846.db2.gz QYCMUEVILXGLJG-FICVDOATSA-N 2 2 305.422 1.780 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172133278 776634849 /nfs/dbraw/zinc/63/48/49/776634849.db2.gz QYCMUEVILXGLJG-FICVDOATSA-N 2 2 305.422 1.780 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095022312 776998878 /nfs/dbraw/zinc/99/88/78/776998878.db2.gz SZIFIPNCWFQSBS-AVGNSLFASA-N 2 2 308.813 1.674 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150552851 778068231 /nfs/dbraw/zinc/06/82/31/778068231.db2.gz HFQBVLQAVWBGRR-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150552851 778068237 /nfs/dbraw/zinc/06/82/37/778068237.db2.gz HFQBVLQAVWBGRR-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150552851 778068248 /nfs/dbraw/zinc/06/82/48/778068248.db2.gz HFQBVLQAVWBGRR-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150552851 778068255 /nfs/dbraw/zinc/06/82/55/778068255.db2.gz HFQBVLQAVWBGRR-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811114 778252269 /nfs/dbraw/zinc/25/22/69/778252269.db2.gz XHFSEAUVNWUDTN-MRXNPFEDSA-N 2 2 304.438 1.951 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962897 779581487 /nfs/dbraw/zinc/58/14/87/779581487.db2.gz XJNBIJRWFRJKEC-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962897 779581492 /nfs/dbraw/zinc/58/14/92/779581492.db2.gz XJNBIJRWFRJKEC-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001112463699 779790792 /nfs/dbraw/zinc/79/07/92/779790792.db2.gz WSUFQMKAXPXNDD-KXBFYZLASA-N 2 2 322.412 1.799 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267170194 837459815 /nfs/dbraw/zinc/45/98/15/837459815.db2.gz GCQWBBXPJAZNFA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267170194 837459819 /nfs/dbraw/zinc/45/98/19/837459819.db2.gz GCQWBBXPJAZNFA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306796 837793379 /nfs/dbraw/zinc/79/33/79/837793379.db2.gz XUFJMLGAGBAEGA-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306796 837793384 /nfs/dbraw/zinc/79/33/84/837793384.db2.gz XUFJMLGAGBAEGA-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306796 837793394 /nfs/dbraw/zinc/79/33/94/837793394.db2.gz XUFJMLGAGBAEGA-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306796 837793400 /nfs/dbraw/zinc/79/34/00/837793400.db2.gz XUFJMLGAGBAEGA-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414405 836223793 /nfs/dbraw/zinc/22/37/93/836223793.db2.gz BOSSUOSNQBHADL-HUUCEWRRSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267115564 837379839 /nfs/dbraw/zinc/37/98/39/837379839.db2.gz WYQVDUSIMOWWBD-INIZCTEOSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267115564 837379852 /nfs/dbraw/zinc/37/98/52/837379852.db2.gz WYQVDUSIMOWWBD-INIZCTEOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543880 838278105 /nfs/dbraw/zinc/27/81/05/838278105.db2.gz GYJVPQMQKKWQCK-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543880 838278113 /nfs/dbraw/zinc/27/81/13/838278113.db2.gz GYJVPQMQKKWQCK-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)CCC=C)C1 ZINC001267725907 838748648 /nfs/dbraw/zinc/74/86/48/838748648.db2.gz IZUUTNXSAZFTDL-ULQDDVLXSA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001267725907 838748653 /nfs/dbraw/zinc/74/86/53/838748653.db2.gz IZUUTNXSAZFTDL-ULQDDVLXSA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)CCC=C)C1 ZINC001267725907 838748662 /nfs/dbraw/zinc/74/86/62/838748662.db2.gz IZUUTNXSAZFTDL-ULQDDVLXSA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)CCC=C)C1 ZINC001267725907 838748670 /nfs/dbraw/zinc/74/86/70/838748670.db2.gz IZUUTNXSAZFTDL-ULQDDVLXSA-N 2 2 303.450 1.629 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001267971548 839297392 /nfs/dbraw/zinc/29/73/92/839297392.db2.gz WKWZDSSHHDDSJF-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001268178466 839798723 /nfs/dbraw/zinc/79/87/23/839798723.db2.gz MDAAGYQFFHDDNR-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[NH+]1CC(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001268453538 840221426 /nfs/dbraw/zinc/22/14/26/840221426.db2.gz JEWUGAHAWLHHCH-UHFFFAOYSA-N 2 2 301.434 1.537 20 30 DDEDLP C=CCC[NH+]1CC(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001268453538 840221438 /nfs/dbraw/zinc/22/14/38/840221438.db2.gz JEWUGAHAWLHHCH-UHFFFAOYSA-N 2 2 301.434 1.537 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269078948 841182302 /nfs/dbraw/zinc/18/23/02/841182302.db2.gz AGDRFFPEDCGVCF-SJORKVTESA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269084874 841183751 /nfs/dbraw/zinc/18/37/51/841183751.db2.gz OAJOPMHIVMMATO-CVEARBPZSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001269234547 841393149 /nfs/dbraw/zinc/39/31/49/841393149.db2.gz AUFXUNPNMDZNKF-MRXNPFEDSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001269234547 841393162 /nfs/dbraw/zinc/39/31/62/841393162.db2.gz AUFXUNPNMDZNKF-MRXNPFEDSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001269784548 842046051 /nfs/dbraw/zinc/04/60/51/842046051.db2.gz HSRNQODRZSRXRJ-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491414 843646223 /nfs/dbraw/zinc/64/62/23/843646223.db2.gz RBOJZINXUPOFSF-GDBMZVCRSA-N 2 2 310.401 1.716 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001272226579 844779971 /nfs/dbraw/zinc/77/99/71/844779971.db2.gz SDHVZNCYWYQROW-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001272226579 844779976 /nfs/dbraw/zinc/77/99/76/844779976.db2.gz SDHVZNCYWYQROW-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001326846787 861654127 /nfs/dbraw/zinc/65/41/27/861654127.db2.gz SPBZKLMASAZBDW-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272789998 847430154 /nfs/dbraw/zinc/43/01/54/847430154.db2.gz HHGKXLHNVLIGJA-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272789998 847430161 /nfs/dbraw/zinc/43/01/61/847430161.db2.gz HHGKXLHNVLIGJA-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001273106029 847919695 /nfs/dbraw/zinc/91/96/95/847919695.db2.gz GVGQGUNBSBQDIP-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304220 848263828 /nfs/dbraw/zinc/26/38/28/848263828.db2.gz PQYMMZGISNHROD-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304220 848263836 /nfs/dbraw/zinc/26/38/36/848263836.db2.gz PQYMMZGISNHROD-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427634 848483820 /nfs/dbraw/zinc/48/38/20/848483820.db2.gz ZBXVAGOEDCTODB-HNNXBMFYSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427634 848483826 /nfs/dbraw/zinc/48/38/26/848483826.db2.gz ZBXVAGOEDCTODB-HNNXBMFYSA-N 2 2 302.422 1.610 20 30 DDEDLP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001273729067 851280517 /nfs/dbraw/zinc/28/05/17/851280517.db2.gz GZOAEDGLLMILIX-HNNXBMFYSA-N 2 2 318.421 1.117 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275865451 853886412 /nfs/dbraw/zinc/88/64/12/853886412.db2.gz KLBXBILGSNMMKM-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275865451 853886419 /nfs/dbraw/zinc/88/64/19/853886419.db2.gz KLBXBILGSNMMKM-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001276128536 854800376 /nfs/dbraw/zinc/80/03/76/854800376.db2.gz GARIQODBEPTOME-DOTOQJQBSA-N 2 2 316.449 1.541 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276254414 855059540 /nfs/dbraw/zinc/05/95/40/855059540.db2.gz BJFCFRRAYTWHFK-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129387 858126156 /nfs/dbraw/zinc/12/61/56/858126156.db2.gz VKFACWAVBLSPFL-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129387 858126161 /nfs/dbraw/zinc/12/61/61/858126161.db2.gz VKFACWAVBLSPFL-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001121827029 858606542 /nfs/dbraw/zinc/60/65/42/858606542.db2.gz PNYJCQGIVPBJNM-UHFFFAOYSA-N 2 2 303.381 1.083 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001121827029 858606547 /nfs/dbraw/zinc/60/65/47/858606547.db2.gz PNYJCQGIVPBJNM-UHFFFAOYSA-N 2 2 303.381 1.083 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856322 860163872 /nfs/dbraw/zinc/16/38/72/860163872.db2.gz KJSZNGPJNCXZCW-KGLIPLIRSA-N 2 2 300.406 1.383 20 30 DDEDLP CSc1nc(C[N@H+](C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC001141941333 860976347 /nfs/dbraw/zinc/97/63/47/860976347.db2.gz FGXOHQGIACJDKR-UHFFFAOYSA-N 2 2 319.478 1.354 20 30 DDEDLP CSc1nc(C[N@@H+](C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC001141941333 860976352 /nfs/dbraw/zinc/97/63/52/860976352.db2.gz FGXOHQGIACJDKR-UHFFFAOYSA-N 2 2 319.478 1.354 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001328632128 863118355 /nfs/dbraw/zinc/11/83/55/863118355.db2.gz NUVITHJZJYLMME-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCC(C)(C)O)cc2F)CC1 ZINC001329110338 863480499 /nfs/dbraw/zinc/48/04/99/863480499.db2.gz IPANZXWDJMIZIH-UHFFFAOYSA-N 2 2 308.401 1.272 20 30 DDEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331293145 864993332 /nfs/dbraw/zinc/99/33/32/864993332.db2.gz ALRGFJRVFKBJQQ-MRXNPFEDSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160485976 865876881 /nfs/dbraw/zinc/87/68/81/865876881.db2.gz NPKANDZPNUNZJN-UHFFFAOYSA-N 2 2 308.385 1.948 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160485976 865876898 /nfs/dbraw/zinc/87/68/98/865876898.db2.gz NPKANDZPNUNZJN-UHFFFAOYSA-N 2 2 308.385 1.948 20 30 DDEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001333120008 866437760 /nfs/dbraw/zinc/43/77/60/866437760.db2.gz MJGXTDZWHGALJT-FHERZECASA-N 2 2 318.421 1.063 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309284 866510622 /nfs/dbraw/zinc/51/06/22/866510622.db2.gz KVALXGYNEORZOR-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP N#CC1(c2cc[nH+]c(NCc3nnc4n3CCC[NH2+]C4)c2)CC1 ZINC001163016698 868001739 /nfs/dbraw/zinc/00/17/39/868001739.db2.gz HMAQLOXVNXOVFL-UHFFFAOYSA-N 2 2 309.377 1.334 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001336795576 869147144 /nfs/dbraw/zinc/14/71/44/869147144.db2.gz WSNYMXFBVRMUHL-INIZCTEOSA-N 2 2 322.836 1.767 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327695 870651385 /nfs/dbraw/zinc/65/13/85/870651385.db2.gz WVKQMOAIALWTKA-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676500 870706002 /nfs/dbraw/zinc/70/60/02/870706002.db2.gz DZKYBWZCHVFJBR-CABCVRRESA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814819 870774479 /nfs/dbraw/zinc/77/44/79/870774479.db2.gz LNXRBTNQJMYPOF-CABCVRRESA-N 2 2 302.422 1.866 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318063047 871721618 /nfs/dbraw/zinc/72/16/18/871721618.db2.gz LLUMXQYUVUFZNU-UHFFFAOYSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318063047 871721624 /nfs/dbraw/zinc/72/16/24/871721624.db2.gz LLUMXQYUVUFZNU-UHFFFAOYSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[NH2+]C[C@](C)(NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001318704357 872215705 /nfs/dbraw/zinc/21/57/05/872215705.db2.gz AKCSPARRJKJTAY-KRWDZBQOSA-N 2 2 304.438 1.803 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754919 872369446 /nfs/dbraw/zinc/36/94/46/872369446.db2.gz MVIOTCFTNYFGMR-CQSZACIVSA-N 2 2 302.422 1.567 20 30 DDEDLP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001319027105 872403697 /nfs/dbraw/zinc/40/36/97/872403697.db2.gz INNTZAVJDOJWNV-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955722 872844233 /nfs/dbraw/zinc/84/42/33/872844233.db2.gz FFKNSXPZMQSOJQ-QGZVFWFLSA-N 2 2 314.433 1.146 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447101 874149039 /nfs/dbraw/zinc/14/90/39/874149039.db2.gz HTQGRTSJOOAOET-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450659 874153684 /nfs/dbraw/zinc/15/36/84/874153684.db2.gz JITIUTTZOJECCQ-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213802414 876063116 /nfs/dbraw/zinc/06/31/16/876063116.db2.gz RKAQTFQNPYMCIZ-HZPDHXFCSA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213802414 876063132 /nfs/dbraw/zinc/06/31/32/876063132.db2.gz RKAQTFQNPYMCIZ-HZPDHXFCSA-N 2 2 320.437 1.134 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950443 876517952 /nfs/dbraw/zinc/51/79/52/876517952.db2.gz RJMJQENVRJUWFR-UKRRQHHQSA-N 2 2 301.390 1.093 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215006590 876537845 /nfs/dbraw/zinc/53/78/45/876537845.db2.gz XKYKWLXHBOWIHB-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001353026120 877074016 /nfs/dbraw/zinc/07/40/16/877074016.db2.gz GMIMKYYXYXSOKK-UHFFFAOYSA-N 2 2 321.424 1.707 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001220380995 878965161 /nfs/dbraw/zinc/96/51/61/878965161.db2.gz FPMQAMUTVUAKMN-ZWKOTPCHSA-N 2 2 311.429 1.358 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001220380995 878965176 /nfs/dbraw/zinc/96/51/76/878965176.db2.gz FPMQAMUTVUAKMN-ZWKOTPCHSA-N 2 2 311.429 1.358 20 30 DDEDLP N#CCC[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037501 879464351 /nfs/dbraw/zinc/46/43/51/879464351.db2.gz SAAFYKOVFSVOKG-QGZVFWFLSA-N 2 2 318.396 1.486 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001277913256 888285579 /nfs/dbraw/zinc/28/55/79/888285579.db2.gz DTNDHAQZKDMWGS-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001277913256 888285592 /nfs/dbraw/zinc/28/55/92/888285592.db2.gz DTNDHAQZKDMWGS-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC/C=C/CC ZINC001235454004 888655365 /nfs/dbraw/zinc/65/53/65/888655365.db2.gz IDMZOZACVSDOPG-VDZMMWBESA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001235454004 888655381 /nfs/dbraw/zinc/65/53/81/888655381.db2.gz IDMZOZACVSDOPG-VDZMMWBESA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C/CC ZINC001235454004 888655389 /nfs/dbraw/zinc/65/53/89/888655389.db2.gz IDMZOZACVSDOPG-VDZMMWBESA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C/CC ZINC001235454004 888655409 /nfs/dbraw/zinc/65/54/09/888655409.db2.gz IDMZOZACVSDOPG-VDZMMWBESA-N 2 2 317.477 1.973 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001366000406 892179133 /nfs/dbraw/zinc/17/91/33/892179133.db2.gz YSSNOWPUEMQAKZ-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001366000406 892179139 /nfs/dbraw/zinc/17/91/39/892179139.db2.gz YSSNOWPUEMQAKZ-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366000406 892179143 /nfs/dbraw/zinc/17/91/43/892179143.db2.gz YSSNOWPUEMQAKZ-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366000406 892179147 /nfs/dbraw/zinc/17/91/47/892179147.db2.gz YSSNOWPUEMQAKZ-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001388684770 895692261 /nfs/dbraw/zinc/69/22/61/895692261.db2.gz OXJJGJCYPRONOJ-BETUJISGSA-N 2 2 310.829 1.590 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264195485 901014277 /nfs/dbraw/zinc/01/42/77/901014277.db2.gz TXEBKPPXHSDIGN-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264195485 901014291 /nfs/dbraw/zinc/01/42/91/901014291.db2.gz TXEBKPPXHSDIGN-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264195485 901014308 /nfs/dbraw/zinc/01/43/08/901014308.db2.gz TXEBKPPXHSDIGN-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264195485 901014322 /nfs/dbraw/zinc/01/43/22/901014322.db2.gz TXEBKPPXHSDIGN-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001264395593 901084091 /nfs/dbraw/zinc/08/40/91/901084091.db2.gz ZMVGCERYKUWMCB-OAGGEKHMSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265979390 902696585 /nfs/dbraw/zinc/69/65/85/902696585.db2.gz KXIXUQFHEYDPEZ-OAHLLOKOSA-N 2 2 316.449 1.776 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001266086021 902910464 /nfs/dbraw/zinc/91/04/64/902910464.db2.gz CPSFREYQTCWSAE-UHFFFAOYSA-N 2 2 310.401 1.424 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001391924452 902912654 /nfs/dbraw/zinc/91/26/54/902912654.db2.gz BQEUKYNVOBEBBE-ZDUSSCGKSA-N 2 2 311.389 1.366 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266103072 902945291 /nfs/dbraw/zinc/94/52/91/902945291.db2.gz OMAHDPNFMNPOOH-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266103072 902945301 /nfs/dbraw/zinc/94/53/01/902945301.db2.gz OMAHDPNFMNPOOH-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281021527 904326861 /nfs/dbraw/zinc/32/68/61/904326861.db2.gz OTOBKDUNIGNMTJ-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281031019 904334436 /nfs/dbraw/zinc/33/44/36/904334436.db2.gz JJJMXAFYCVVQIF-HNNXBMFYSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282665466 905931489 /nfs/dbraw/zinc/93/14/89/905931489.db2.gz MOXBPZDKOYRPME-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282665466 905931504 /nfs/dbraw/zinc/93/15/04/905931504.db2.gz MOXBPZDKOYRPME-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374076803 911818888 /nfs/dbraw/zinc/81/88/88/911818888.db2.gz KONZKJPQAMENEX-SECBINFHSA-N 2 2 315.215 1.203 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001375174603 915184347 /nfs/dbraw/zinc/18/43/47/915184347.db2.gz KMECSGYEMTZXRY-UONOGXRCSA-N 2 2 310.829 1.900 20 30 DDEDLP C=CCS(=O)(=O)CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000272853359 210249101 /nfs/dbraw/zinc/24/91/01/210249101.db2.gz OXRJGFIKYYXDRP-UHFFFAOYSA-N 2 2 319.430 1.871 20 30 DDEDLP C=CC[NH+](CC=C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000052869117 352629765 /nfs/dbraw/zinc/62/97/65/352629765.db2.gz ZNQPFTTZNAMREO-MRXNPFEDSA-N 2 2 309.454 1.133 20 30 DDEDLP C=CC[NH+](CC=C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000052869117 352629766 /nfs/dbraw/zinc/62/97/66/352629766.db2.gz ZNQPFTTZNAMREO-MRXNPFEDSA-N 2 2 309.454 1.133 20 30 DDEDLP CCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000063509733 352914182 /nfs/dbraw/zinc/91/41/82/352914182.db2.gz JRRLJCVRHASEOQ-UHFFFAOYSA-N 2 2 318.421 1.446 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000316606542 354504148 /nfs/dbraw/zinc/50/41/48/354504148.db2.gz NRCFNRHYAZTMNF-DZGCQCFKSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000316606542 354504151 /nfs/dbraw/zinc/50/41/51/354504151.db2.gz NRCFNRHYAZTMNF-DZGCQCFKSA-N 2 2 321.446 1.404 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000073615569 191330508 /nfs/dbraw/zinc/33/05/08/191330508.db2.gz DYHQKSLQMPIUAQ-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000073615569 191330512 /nfs/dbraw/zinc/33/05/12/191330512.db2.gz DYHQKSLQMPIUAQ-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000594436843 356213738 /nfs/dbraw/zinc/21/37/38/356213738.db2.gz KAKPGQPJAAMMBN-KGLIPLIRSA-N 2 2 301.394 1.188 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000594438046 356214520 /nfs/dbraw/zinc/21/45/20/356214520.db2.gz MKCCFPWAUSTNJT-JKSUJKDBSA-N 2 2 322.453 1.111 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000594718281 356295260 /nfs/dbraw/zinc/29/52/60/356295260.db2.gz NCOMACCDKZWFTP-CVEARBPZSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000594718281 356295264 /nfs/dbraw/zinc/29/52/64/356295264.db2.gz NCOMACCDKZWFTP-CVEARBPZSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472764 356507849 /nfs/dbraw/zinc/50/78/49/356507849.db2.gz QDMTVNLASLOZDR-MRXNPFEDSA-N 2 2 316.449 1.640 20 30 DDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472764 356507851 /nfs/dbraw/zinc/50/78/51/356507851.db2.gz QDMTVNLASLOZDR-MRXNPFEDSA-N 2 2 316.449 1.640 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)no2)CC1 ZINC000602539297 359034543 /nfs/dbraw/zinc/03/45/43/359034543.db2.gz IULHFLKCEMUVQO-UHFFFAOYSA-N 2 2 307.394 1.981 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)s3)C2)CC1 ZINC000610521710 360459456 /nfs/dbraw/zinc/45/94/56/360459456.db2.gz FHLKYQHVQHASBL-LBPRGKRZSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)s3)C2)CC1 ZINC000610521710 360459458 /nfs/dbraw/zinc/45/94/58/360459458.db2.gz FHLKYQHVQHASBL-LBPRGKRZSA-N 2 2 318.446 1.518 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917243 296123754 /nfs/dbraw/zinc/12/37/54/296123754.db2.gz ZBRALFITVRIQCN-CJNGLKHVSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917243 296123756 /nfs/dbraw/zinc/12/37/56/296123756.db2.gz ZBRALFITVRIQCN-CJNGLKHVSA-N 2 2 300.406 1.549 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCC#N ZINC000171689995 407742816 /nfs/dbraw/zinc/74/28/16/407742816.db2.gz ZFOHIBKHSXFVHY-UHFFFAOYSA-N 2 2 309.458 1.348 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCC#N ZINC000171689995 407742818 /nfs/dbraw/zinc/74/28/18/407742818.db2.gz ZFOHIBKHSXFVHY-UHFFFAOYSA-N 2 2 309.458 1.348 20 30 DDEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135100048 407973799 /nfs/dbraw/zinc/97/37/99/407973799.db2.gz YDZBLVLWISLDMW-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135100048 407973812 /nfs/dbraw/zinc/97/38/12/407973812.db2.gz YDZBLVLWISLDMW-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000120250139 408120731 /nfs/dbraw/zinc/12/07/31/408120731.db2.gz BZLCJRFUEUJSLA-MRXNPFEDSA-N 2 2 302.418 1.757 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159976239 408448625 /nfs/dbraw/zinc/44/86/25/408448625.db2.gz VNXBCPWDRLRXGF-QLFBSQMISA-N 2 2 305.426 1.520 20 30 DDEDLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000270878977 408722292 /nfs/dbraw/zinc/72/22/92/408722292.db2.gz NGAAEWVMWAZLRE-ZDUSSCGKSA-N 2 2 311.393 1.064 20 30 DDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000270878977 408722295 /nfs/dbraw/zinc/72/22/95/408722295.db2.gz NGAAEWVMWAZLRE-ZDUSSCGKSA-N 2 2 311.393 1.064 20 30 DDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294117935 409243517 /nfs/dbraw/zinc/24/35/17/409243517.db2.gz NFBWIRXLSKKIOL-OAHLLOKOSA-N 2 2 314.433 1.538 20 30 DDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294117935 409243519 /nfs/dbraw/zinc/24/35/19/409243519.db2.gz NFBWIRXLSKKIOL-OAHLLOKOSA-N 2 2 314.433 1.538 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000304280786 409594496 /nfs/dbraw/zinc/59/44/96/409594496.db2.gz HGUUKPAVGPKVGN-INIZCTEOSA-N 2 2 311.385 1.660 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000304280786 409594502 /nfs/dbraw/zinc/59/45/02/409594502.db2.gz HGUUKPAVGPKVGN-INIZCTEOSA-N 2 2 311.385 1.660 20 30 DDEDLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000328725450 409963152 /nfs/dbraw/zinc/96/31/52/409963152.db2.gz UBSCZGLPXXRKQL-CQSZACIVSA-N 2 2 305.426 1.733 20 30 DDEDLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000328725450 409963158 /nfs/dbraw/zinc/96/31/58/409963158.db2.gz UBSCZGLPXXRKQL-CQSZACIVSA-N 2 2 305.426 1.733 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328868403 409994213 /nfs/dbraw/zinc/99/42/13/409994213.db2.gz OUTROWMMVVNLDC-MLGOLLRUSA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328868403 409994220 /nfs/dbraw/zinc/99/42/20/409994220.db2.gz OUTROWMMVVNLDC-MLGOLLRUSA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328868403 409994228 /nfs/dbraw/zinc/99/42/28/409994228.db2.gz OUTROWMMVVNLDC-MLGOLLRUSA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328868403 409994236 /nfs/dbraw/zinc/99/42/36/409994236.db2.gz OUTROWMMVVNLDC-MLGOLLRUSA-N 2 2 308.426 1.826 20 30 DDEDLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329954310 410495063 /nfs/dbraw/zinc/49/50/63/410495063.db2.gz NUFNETDTJHXTMB-CQSZACIVSA-N 2 2 307.442 1.599 20 30 DDEDLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329954310 410495074 /nfs/dbraw/zinc/49/50/74/410495074.db2.gz NUFNETDTJHXTMB-CQSZACIVSA-N 2 2 307.442 1.599 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356235182 410912535 /nfs/dbraw/zinc/91/25/35/410912535.db2.gz VPBPNMZMAPLDJM-AWEZNQCLSA-N 2 2 305.451 1.227 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356235182 410912540 /nfs/dbraw/zinc/91/25/40/410912540.db2.gz VPBPNMZMAPLDJM-AWEZNQCLSA-N 2 2 305.451 1.227 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202142 418504444 /nfs/dbraw/zinc/50/44/44/418504444.db2.gz ZQFIVILDAHQXQG-CYBMUJFWSA-N 2 2 303.410 1.597 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CCOCC1 ZINC000189387542 222043485 /nfs/dbraw/zinc/04/34/85/222043485.db2.gz PCPDITVLFKWRNF-UHFFFAOYSA-N 2 2 322.840 1.345 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CCOCC1 ZINC000189387542 222043488 /nfs/dbraw/zinc/04/34/88/222043488.db2.gz PCPDITVLFKWRNF-UHFFFAOYSA-N 2 2 322.840 1.345 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421841 418599679 /nfs/dbraw/zinc/59/96/79/418599679.db2.gz BXCLQKNIBKWEEG-TZMCWYRMSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421841 418599683 /nfs/dbraw/zinc/59/96/83/418599683.db2.gz BXCLQKNIBKWEEG-TZMCWYRMSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421841 418599687 /nfs/dbraw/zinc/59/96/87/418599687.db2.gz BXCLQKNIBKWEEG-TZMCWYRMSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421841 418599690 /nfs/dbraw/zinc/59/96/90/418599690.db2.gz BXCLQKNIBKWEEG-TZMCWYRMSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2cccs2)CC1 ZINC000261775917 222257885 /nfs/dbraw/zinc/25/78/85/222257885.db2.gz OPSXNYIPBFQHLL-UHFFFAOYSA-N 2 2 307.467 1.151 20 30 DDEDLP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262001747 222269504 /nfs/dbraw/zinc/26/95/04/222269504.db2.gz ULWYWRBXBJDURI-GJZGRUSLSA-N 2 2 319.453 1.647 20 30 DDEDLP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262018495 222270708 /nfs/dbraw/zinc/27/07/08/222270708.db2.gz YHLCJQAEQPDOLG-LZWOXQAQSA-N 2 2 307.442 1.502 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000370115604 418741213 /nfs/dbraw/zinc/74/12/13/418741213.db2.gz YIDGMCRHSGIUKY-CQSZACIVSA-N 2 2 320.462 1.116 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000363489932 418766160 /nfs/dbraw/zinc/76/61/60/418766160.db2.gz PLONRPIISMGOPX-UWWQBHOKSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363489932 418766163 /nfs/dbraw/zinc/76/61/63/418766163.db2.gz PLONRPIISMGOPX-UWWQBHOKSA-N 2 2 315.417 1.930 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000424170439 228240517 /nfs/dbraw/zinc/24/05/17/228240517.db2.gz AZFFFZVNWVKDRY-INIZCTEOSA-N 2 2 318.396 1.491 20 30 DDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000442714333 420702766 /nfs/dbraw/zinc/70/27/66/420702766.db2.gz JXOHAEHOZVYZHG-HZPDHXFCSA-N 2 2 314.437 1.271 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000570939807 421678214 /nfs/dbraw/zinc/67/82/14/421678214.db2.gz MMESKHJRHCBGSM-AWEZNQCLSA-N 2 2 309.373 1.720 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000570939807 421678216 /nfs/dbraw/zinc/67/82/16/421678216.db2.gz MMESKHJRHCBGSM-AWEZNQCLSA-N 2 2 309.373 1.720 20 30 DDEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553135 421682707 /nfs/dbraw/zinc/68/27/07/421682707.db2.gz CAASRKSBXXCKRC-AWEZNQCLSA-N 2 2 312.421 1.955 20 30 DDEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553135 421682710 /nfs/dbraw/zinc/68/27/10/421682710.db2.gz CAASRKSBXXCKRC-AWEZNQCLSA-N 2 2 312.421 1.955 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629563315 422730330 /nfs/dbraw/zinc/73/03/30/422730330.db2.gz PIVLRUBNBYYWHS-WOPDTQHZSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629563315 422730335 /nfs/dbraw/zinc/73/03/35/422730335.db2.gz PIVLRUBNBYYWHS-WOPDTQHZSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)nn1 ZINC000657448616 424349518 /nfs/dbraw/zinc/34/95/18/424349518.db2.gz MOKVWGHFLHDURG-OAHLLOKOSA-N 2 2 307.442 1.445 20 30 DDEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000657448616 424349525 /nfs/dbraw/zinc/34/95/25/424349525.db2.gz MOKVWGHFLHDURG-OAHLLOKOSA-N 2 2 307.442 1.445 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324125 424569141 /nfs/dbraw/zinc/56/91/41/424569141.db2.gz VCLQMJUAMYRILO-IAGOWNOFSA-N 2 2 323.481 1.618 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324125 424569148 /nfs/dbraw/zinc/56/91/48/424569148.db2.gz VCLQMJUAMYRILO-IAGOWNOFSA-N 2 2 323.481 1.618 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000424189356 290018472 /nfs/dbraw/zinc/01/84/72/290018472.db2.gz KNCZJILSPJGUGT-HOTGVXAUSA-N 2 2 300.406 1.523 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000424189356 290018475 /nfs/dbraw/zinc/01/84/75/290018475.db2.gz KNCZJILSPJGUGT-HOTGVXAUSA-N 2 2 300.406 1.523 20 30 DDEDLP C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834776 486122406 /nfs/dbraw/zinc/12/24/06/486122406.db2.gz NQCFIKMMLVAHPS-JKSUJKDBSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834776 486122412 /nfs/dbraw/zinc/12/24/12/486122412.db2.gz NQCFIKMMLVAHPS-JKSUJKDBSA-N 2 2 320.481 1.905 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491763639 526805444 /nfs/dbraw/zinc/80/54/44/526805444.db2.gz AMLTWYOHTOFOIJ-UHFFFAOYSA-N 2 2 312.417 1.806 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491763639 526805449 /nfs/dbraw/zinc/80/54/49/526805449.db2.gz AMLTWYOHTOFOIJ-UHFFFAOYSA-N 2 2 312.417 1.806 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000491670165 526823556 /nfs/dbraw/zinc/82/35/56/526823556.db2.gz YRBAZYACZCWPBC-AWEZNQCLSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000491670165 526823560 /nfs/dbraw/zinc/82/35/60/526823560.db2.gz YRBAZYACZCWPBC-AWEZNQCLSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000491670165 526823564 /nfs/dbraw/zinc/82/35/64/526823564.db2.gz YRBAZYACZCWPBC-AWEZNQCLSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000491670165 526823565 /nfs/dbraw/zinc/82/35/65/526823565.db2.gz YRBAZYACZCWPBC-AWEZNQCLSA-N 2 2 316.449 1.709 20 30 DDEDLP CCC[N@@H+]1CC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255969 /nfs/dbraw/zinc/25/59/69/528255969.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@H+]1CC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255975 /nfs/dbraw/zinc/25/59/75/528255975.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@@H+]1CC[C@H](CNC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255979 /nfs/dbraw/zinc/25/59/79/528255979.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@H+]1CC[C@H](CNC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255984 /nfs/dbraw/zinc/25/59/84/528255984.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 2 319.453 1.681 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735397609 598369642 /nfs/dbraw/zinc/36/96/42/598369642.db2.gz AFKOHFDGBLYVBG-UHFFFAOYSA-N 2 2 312.421 1.997 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980209557 696708508 /nfs/dbraw/zinc/70/85/08/696708508.db2.gz SFXWATBUOPJZHK-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980209557 696708510 /nfs/dbraw/zinc/70/85/10/696708510.db2.gz SFXWATBUOPJZHK-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402191 695240817 /nfs/dbraw/zinc/24/08/17/695240817.db2.gz OQAIADLPTXUJLM-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402191 695240818 /nfs/dbraw/zinc/24/08/18/695240818.db2.gz OQAIADLPTXUJLM-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402191 695240819 /nfs/dbraw/zinc/24/08/19/695240819.db2.gz OQAIADLPTXUJLM-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402191 695240820 /nfs/dbraw/zinc/24/08/20/695240820.db2.gz OQAIADLPTXUJLM-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486393 695262066 /nfs/dbraw/zinc/26/20/66/695262066.db2.gz GZABXMJOKOVUGO-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486393 695262068 /nfs/dbraw/zinc/26/20/68/695262068.db2.gz GZABXMJOKOVUGO-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613863 695299197 /nfs/dbraw/zinc/29/91/97/695299197.db2.gz CUZLKERBWIVRIJ-MRXNPFEDSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613863 695299198 /nfs/dbraw/zinc/29/91/98/695299198.db2.gz CUZLKERBWIVRIJ-MRXNPFEDSA-N 2 2 323.400 1.557 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746057 695724772 /nfs/dbraw/zinc/72/47/72/695724772.db2.gz XYHYSIWPSLUFAM-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746057 695724773 /nfs/dbraw/zinc/72/47/73/695724773.db2.gz XYHYSIWPSLUFAM-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974970769 695770274 /nfs/dbraw/zinc/77/02/74/695770274.db2.gz GCSUGNHPJVSJRF-OAHLLOKOSA-N 2 2 317.433 1.805 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974970769 695770279 /nfs/dbraw/zinc/77/02/79/695770279.db2.gz GCSUGNHPJVSJRF-OAHLLOKOSA-N 2 2 317.433 1.805 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000120488122 696696442 /nfs/dbraw/zinc/69/64/42/696696442.db2.gz KOTYZLKNOODKOS-INIZCTEOSA-N 2 2 309.502 1.495 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981989135 696995775 /nfs/dbraw/zinc/99/57/75/696995775.db2.gz OBMFFXKKFVAKEN-HUUCEWRRSA-N 2 2 300.406 1.081 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981989135 696995776 /nfs/dbraw/zinc/99/57/76/696995776.db2.gz OBMFFXKKFVAKEN-HUUCEWRRSA-N 2 2 300.406 1.081 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042831 697011957 /nfs/dbraw/zinc/01/19/57/697011957.db2.gz TXGCTABJCXHHES-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042831 697011960 /nfs/dbraw/zinc/01/19/60/697011960.db2.gz TXGCTABJCXHHES-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208558 697034960 /nfs/dbraw/zinc/03/49/60/697034960.db2.gz AYMAGAPXHDTTEB-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208558 697034962 /nfs/dbraw/zinc/03/49/62/697034962.db2.gz AYMAGAPXHDTTEB-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989736497 698746246 /nfs/dbraw/zinc/74/62/46/698746246.db2.gz POELARPRURTBRR-OLZOCXBDSA-N 2 2 310.829 1.684 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730280039 699506198 /nfs/dbraw/zinc/50/61/98/699506198.db2.gz YIDOKBKYHLRONF-BBWFWOEESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730280039 699506200 /nfs/dbraw/zinc/50/62/00/699506200.db2.gz YIDOKBKYHLRONF-BBWFWOEESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730280039 699506201 /nfs/dbraw/zinc/50/62/01/699506201.db2.gz YIDOKBKYHLRONF-BBWFWOEESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730280039 699506202 /nfs/dbraw/zinc/50/62/02/699506202.db2.gz YIDOKBKYHLRONF-BBWFWOEESA-N 2 2 319.493 1.957 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(OC)cc2)C1 ZINC000870144672 703929355 /nfs/dbraw/zinc/92/93/55/703929355.db2.gz FVBMYEABCWUMOS-INIZCTEOSA-N 2 2 303.406 1.286 20 30 DDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000818981024 704042035 /nfs/dbraw/zinc/04/20/35/704042035.db2.gz QODTWHDRORUBNJ-QGZVFWFLSA-N 2 2 313.405 1.168 20 30 DDEDLP C#C[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877513436 706129202 /nfs/dbraw/zinc/12/92/02/706129202.db2.gz WCOXTMYHYKOXOJ-KRWDZBQOSA-N 2 2 302.418 1.899 20 30 DDEDLP CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000837411816 707640578 /nfs/dbraw/zinc/64/05/78/707640578.db2.gz DSNDLGMKBADKSP-INIZCTEOSA-N 2 2 305.466 1.663 20 30 DDEDLP CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000837411816 707640581 /nfs/dbraw/zinc/64/05/81/707640581.db2.gz DSNDLGMKBADKSP-INIZCTEOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000884331474 708249167 /nfs/dbraw/zinc/24/91/67/708249167.db2.gz OPRYIYSKXUUREN-AWEZNQCLSA-N 2 2 315.421 1.116 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000884331474 708249168 /nfs/dbraw/zinc/24/91/68/708249168.db2.gz OPRYIYSKXUUREN-AWEZNQCLSA-N 2 2 315.421 1.116 20 30 DDEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000886574412 708779461 /nfs/dbraw/zinc/77/94/61/708779461.db2.gz FDSOSMSAZIDXLA-HUUCEWRRSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000886575767 708779640 /nfs/dbraw/zinc/77/96/40/708779640.db2.gz JXYXUHDBSHBBDV-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886672379 708810781 /nfs/dbraw/zinc/81/07/81/708810781.db2.gz NJPASWKFRJEZLW-UHFFFAOYSA-N 2 2 319.409 1.218 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824204 711291792 /nfs/dbraw/zinc/29/17/92/711291792.db2.gz NCZMYQFAZOTFDX-SJORKVTESA-N 2 2 313.401 1.453 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824204 711291797 /nfs/dbraw/zinc/29/17/97/711291797.db2.gz NCZMYQFAZOTFDX-SJORKVTESA-N 2 2 313.401 1.453 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000914307443 713374580 /nfs/dbraw/zinc/37/45/80/713374580.db2.gz COADORGFPRIOBZ-UHFFFAOYSA-N 2 2 303.410 1.060 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000921608810 713820402 /nfs/dbraw/zinc/82/04/02/713820402.db2.gz JFHDQLQHWBGALB-UHFFFAOYSA-N 2 2 300.406 1.039 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)CCC1 ZINC000931283620 714057251 /nfs/dbraw/zinc/05/72/51/714057251.db2.gz DJNUXNOWOLJCAE-QGZVFWFLSA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)CCC1 ZINC000931283620 714057254 /nfs/dbraw/zinc/05/72/54/714057254.db2.gz DJNUXNOWOLJCAE-QGZVFWFLSA-N 2 2 321.465 1.618 20 30 DDEDLP COCC[NH2+]C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000923388627 714338034 /nfs/dbraw/zinc/33/80/34/714338034.db2.gz QEQFUZAYKNVDHE-QGZVFWFLSA-N 2 2 303.406 1.292 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000924034162 714512047 /nfs/dbraw/zinc/51/20/47/714512047.db2.gz AYBVBBWHQGXYOZ-OAHLLOKOSA-N 2 2 315.421 1.199 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000924034162 714512049 /nfs/dbraw/zinc/51/20/49/714512049.db2.gz AYBVBBWHQGXYOZ-OAHLLOKOSA-N 2 2 315.421 1.199 20 30 DDEDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924757721 714657806 /nfs/dbraw/zinc/65/78/06/714657806.db2.gz QMAUBFISTTVCOB-ZBFHGGJFSA-N 2 2 303.406 1.761 20 30 DDEDLP N#Cc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1F ZINC000926019887 714990836 /nfs/dbraw/zinc/99/08/36/714990836.db2.gz RKWZUTACBAINDT-UHFFFAOYSA-N 2 2 305.357 1.242 20 30 DDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000939855877 716461562 /nfs/dbraw/zinc/46/15/62/716461562.db2.gz HLCIWIGXOBZJTM-RHSMWYFYSA-N 2 2 323.400 1.391 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960643179 716642935 /nfs/dbraw/zinc/64/29/35/716642935.db2.gz AXHYIVROPMBIRV-TTZDDIAXSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960643179 716642939 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ZINC000999792132 753147585 /nfs/dbraw/zinc/14/75/85/753147585.db2.gz MQOIGKXCFCGSCP-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001078679553 754295830 /nfs/dbraw/zinc/29/58/30/754295830.db2.gz DEPMTDIYUSSVDI-HUUCEWRRSA-N 2 2 308.385 1.598 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](CC)CC3)C2)C1=O ZINC001169250086 762314522 /nfs/dbraw/zinc/31/45/22/762314522.db2.gz NAEVPJXLFHKYRO-GOSISDBHSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](CC)CC3)C2)C1=O ZINC001169250086 762314526 /nfs/dbraw/zinc/31/45/26/762314526.db2.gz NAEVPJXLFHKYRO-GOSISDBHSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014503434 755764962 /nfs/dbraw/zinc/76/49/62/755764962.db2.gz RUXGFRBZLGKUNS-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014503434 755764965 /nfs/dbraw/zinc/76/49/65/755764965.db2.gz RUXGFRBZLGKUNS-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503434 755764968 /nfs/dbraw/zinc/76/49/68/755764968.db2.gz RUXGFRBZLGKUNS-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503434 755764970 /nfs/dbraw/zinc/76/49/70/755764970.db2.gz RUXGFRBZLGKUNS-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080445042 755921595 /nfs/dbraw/zinc/92/15/95/755921595.db2.gz FLYBLJUALHFPQJ-TZMCWYRMSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080445042 755921600 /nfs/dbraw/zinc/92/16/00/755921600.db2.gz FLYBLJUALHFPQJ-TZMCWYRMSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001080445042 755921605 /nfs/dbraw/zinc/92/16/05/755921605.db2.gz FLYBLJUALHFPQJ-TZMCWYRMSA-N 2 2 313.873 1.907 20 30 DDEDLP 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ZINC001036786119 774612495 /nfs/dbraw/zinc/61/24/95/774612495.db2.gz QCRIMOFTCLECOQ-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036786119 774612498 /nfs/dbraw/zinc/61/24/98/774612498.db2.gz QCRIMOFTCLECOQ-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001093542161 774815278 /nfs/dbraw/zinc/81/52/78/774815278.db2.gz MBFCNJWYNZKSQG-UHFFFAOYSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001095039647 777019047 /nfs/dbraw/zinc/01/90/47/777019047.db2.gz XHJPJRORZBEGTQ-ZNMIVQPWSA-N 2 2 302.422 1.508 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175555 777912713 /nfs/dbraw/zinc/91/27/13/777912713.db2.gz GETGJMBSUUDYKA-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175555 777912721 /nfs/dbraw/zinc/91/27/21/777912721.db2.gz 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NJXUOEFCMGFMSW-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266795483 836847115 /nfs/dbraw/zinc/84/71/15/836847115.db2.gz KSGHALUDNGOMMO-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266885993 836996149 /nfs/dbraw/zinc/99/61/49/836996149.db2.gz MKXQCZZXQZSDAI-MRXNPFEDSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267601188 838409698 /nfs/dbraw/zinc/40/96/98/838409698.db2.gz YSZMPXLXGANVEZ-UHFFFAOYSA-N 2 2 302.422 1.156 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267601188 838409702 /nfs/dbraw/zinc/40/97/02/838409702.db2.gz YSZMPXLXGANVEZ-UHFFFAOYSA-N 2 2 302.422 1.156 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001267873633 839109764 /nfs/dbraw/zinc/10/97/64/839109764.db2.gz KHLWDHFHPRMDBF-YJBOKZPZSA-N 2 2 316.449 1.641 20 30 DDEDLP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001268212992 839844376 /nfs/dbraw/zinc/84/43/76/839844376.db2.gz XSYDEAZYCJZHPX-HUUCEWRRSA-N 2 2 302.422 1.199 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268278206 839935491 /nfs/dbraw/zinc/93/54/91/839935491.db2.gz MZVKSCVHLUDCQM-LSDHHAIUSA-N 2 2 302.422 1.434 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCF)CC1 ZINC001270363393 842519438 /nfs/dbraw/zinc/51/94/38/842519438.db2.gz DIWJJBRVIMNNRA-UHFFFAOYSA-N 2 2 306.385 1.087 20 30 DDEDLP CC#CC[NH2+]CC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001273076046 847873212 /nfs/dbraw/zinc/87/32/12/847873212.db2.gz POUQPUBPNWUBBK-HNNXBMFYSA-N 2 2 312.417 1.693 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283245 848249968 /nfs/dbraw/zinc/24/99/68/848249968.db2.gz TXTCECIRTBLWLV-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283245 848249979 /nfs/dbraw/zinc/24/99/79/848249979.db2.gz TXTCECIRTBLWLV-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001410026979 848688541 /nfs/dbraw/zinc/68/85/41/848688541.db2.gz FXDITXGKKQVSFJ-CYBMUJFWSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001410026979 848688544 /nfs/dbraw/zinc/68/85/44/848688544.db2.gz FXDITXGKKQVSFJ-CYBMUJFWSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410026979 848688548 /nfs/dbraw/zinc/68/85/48/848688548.db2.gz FXDITXGKKQVSFJ-CYBMUJFWSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410026979 848688552 /nfs/dbraw/zinc/68/85/52/848688552.db2.gz FXDITXGKKQVSFJ-CYBMUJFWSA-N 2 2 301.862 1.906 20 30 DDEDLP N#CCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274040117 851879804 /nfs/dbraw/zinc/87/98/04/851879804.db2.gz GZEAECLLQOMLBD-INIZCTEOSA-N 2 2 301.394 1.254 20 30 DDEDLP N#CCCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274040117 851879820 /nfs/dbraw/zinc/87/98/20/851879820.db2.gz GZEAECLLQOMLBD-INIZCTEOSA-N 2 2 301.394 1.254 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274216746 852043830 /nfs/dbraw/zinc/04/38/30/852043830.db2.gz CPKZJQMMJDAHDI-HIFRSBDPSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001275617130 853440901 /nfs/dbraw/zinc/44/09/01/853440901.db2.gz JXNAPRTVRVYMBL-UHFFFAOYSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826034 862484613 /nfs/dbraw/zinc/48/46/13/862484613.db2.gz ZOFSZWKQEMSZMQ-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826034 862484620 /nfs/dbraw/zinc/48/46/20/862484620.db2.gz ZOFSZWKQEMSZMQ-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870660 857824893 /nfs/dbraw/zinc/82/48/93/857824893.db2.gz PLMPAUOBQWPJLJ-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870660 857824898 /nfs/dbraw/zinc/82/48/98/857824898.db2.gz PLMPAUOBQWPJLJ-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121842188 858610557 /nfs/dbraw/zinc/61/05/57/858610557.db2.gz YMHMMHFBDOHJKF-JFPDKAJLSA-N 2 2 314.433 1.875 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285044 858738025 /nfs/dbraw/zinc/73/80/25/858738025.db2.gz LYRHUPHIQACNJD-UHFFFAOYSA-N 2 2 300.406 1.314 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCC(c3c[nH+]cn3C)CC2)CCC[NH2+]1 ZINC001122512687 858859957 /nfs/dbraw/zinc/85/99/57/858859957.db2.gz PLVXSTNKIFBVNB-QGZVFWFLSA-N 2 2 302.422 1.824 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202947896 860432271 /nfs/dbraw/zinc/43/22/71/860432271.db2.gz YXJIKGWGQUBLOT-UHFFFAOYSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCN1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140971237 860750948 /nfs/dbraw/zinc/75/09/48/860750948.db2.gz MJWILQROAXDIGD-UHFFFAOYSA-N 2 2 312.461 1.189 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001328732904 863181944 /nfs/dbraw/zinc/18/19/44/863181944.db2.gz KIKORDHBGLINBK-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001328732904 863181947 /nfs/dbraw/zinc/18/19/47/863181947.db2.gz KIKORDHBGLINBK-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001329255975 863564762 /nfs/dbraw/zinc/56/47/62/863564762.db2.gz SWZYKPCNQMWFBL-HPUBIQBYSA-N 2 2 316.449 1.971 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001329255975 863564776 /nfs/dbraw/zinc/56/47/76/863564776.db2.gz SWZYKPCNQMWFBL-HPUBIQBYSA-N 2 2 316.449 1.971 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)s1 ZINC001157257528 863688056 /nfs/dbraw/zinc/68/80/56/863688056.db2.gz SFGBMFLUNVDNRN-UHFFFAOYSA-N 2 2 317.418 1.572 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001330023022 864026102 /nfs/dbraw/zinc/02/61/02/864026102.db2.gz VSVLKQIFHXFVMN-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259150 864521874 /nfs/dbraw/zinc/52/18/74/864521874.db2.gz OFFPFTKCYMUPMB-NSHDSACASA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259150 864521884 /nfs/dbraw/zinc/52/18/84/864521884.db2.gz OFFPFTKCYMUPMB-NSHDSACASA-N 2 2 305.813 1.608 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529313 865914091 /nfs/dbraw/zinc/91/40/91/865914091.db2.gz GMZVMMNCKTUXRF-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529313 865914096 /nfs/dbraw/zinc/91/40/96/865914096.db2.gz GMZVMMNCKTUXRF-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214519 866447365 /nfs/dbraw/zinc/44/73/65/866447365.db2.gz AYNCXVNJCLAMPG-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001321176983 867374229 /nfs/dbraw/zinc/37/42/29/867374229.db2.gz AGEIEHGFMYBXPT-SNAWJCMRSA-N 2 2 322.412 1.587 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162506935 867597715 /nfs/dbraw/zinc/59/77/15/867597715.db2.gz KYXFGLKGTBBXCV-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001325680714 868247967 /nfs/dbraw/zinc/24/79/67/868247967.db2.gz VFSMGCOZSXCMHD-SHTZXODSSA-N 2 2 302.422 1.108 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC001336798169 869148792 /nfs/dbraw/zinc/14/87/92/869148792.db2.gz WADVBAUJBGALFZ-GOSISDBHSA-N 2 2 316.445 1.730 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001337339959 869443213 /nfs/dbraw/zinc/44/32/13/869443213.db2.gz FGLYYWMJLHCDEN-SJORKVTESA-N 2 2 315.392 1.396 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001337339959 869443217 /nfs/dbraw/zinc/44/32/17/869443217.db2.gz FGLYYWMJLHCDEN-SJORKVTESA-N 2 2 315.392 1.396 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165818717 869721391 /nfs/dbraw/zinc/72/13/91/869721391.db2.gz BGVFBUWDXHTQOP-AWEZNQCLSA-N 2 2 302.422 1.508 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001317001975 870107706 /nfs/dbraw/zinc/10/77/06/870107706.db2.gz KSINZAWJOKUMBY-OAHLLOKOSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605636 870668673 /nfs/dbraw/zinc/66/86/73/870668673.db2.gz LCRIWJIPELAARR-GJZGRUSLSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[NH2+]CC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001340940920 871434833 /nfs/dbraw/zinc/43/48/33/871434833.db2.gz NJQBUWHNNINBPC-UHFFFAOYSA-N 2 2 322.412 1.427 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001318037806 871704037 /nfs/dbraw/zinc/70/40/37/871704037.db2.gz JWTKZPCESKFDQJ-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001316773587 871888309 /nfs/dbraw/zinc/88/83/09/871888309.db2.gz WZSHWDBPKLPNNG-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319205708 872498607 /nfs/dbraw/zinc/49/86/07/872498607.db2.gz AOXGPTICWUOQQW-CYBMUJFWSA-N 2 2 314.389 1.168 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001206868733 872667877 /nfs/dbraw/zinc/66/78/77/872667877.db2.gz AWDXBPMBTXRTHX-UHFFFAOYSA-N 2 2 323.400 1.342 20 30 DDEDLP C=CC[C@@]1(C(=O)NCc2nc(C[NH+](C)C)cs2)CCC[NH2+]1 ZINC001344694683 873081009 /nfs/dbraw/zinc/08/10/09/873081009.db2.gz XWQVPVINZRPTSQ-HNNXBMFYSA-N 2 2 308.451 1.519 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885625 882701743 /nfs/dbraw/zinc/70/17/43/882701743.db2.gz NCSCDIJPVITAAW-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885625 882701748 /nfs/dbraw/zinc/70/17/48/882701748.db2.gz NCSCDIJPVITAAW-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450660 874153750 /nfs/dbraw/zinc/15/37/50/874153750.db2.gz JITIUTTZOJECCQ-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378225287 874472707 /nfs/dbraw/zinc/47/27/07/874472707.db2.gz GUHBVCKLSXGPCX-GFCCVEGCSA-N 2 2 317.418 1.453 20 30 DDEDLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378225287 874472716 /nfs/dbraw/zinc/47/27/16/874472716.db2.gz GUHBVCKLSXGPCX-GFCCVEGCSA-N 2 2 317.418 1.453 20 30 DDEDLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378225312 874473495 /nfs/dbraw/zinc/47/34/95/874473495.db2.gz GUHBVCKLSXGPCX-LBPRGKRZSA-N 2 2 317.418 1.453 20 30 DDEDLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378225312 874473500 /nfs/dbraw/zinc/47/35/00/874473500.db2.gz GUHBVCKLSXGPCX-LBPRGKRZSA-N 2 2 317.418 1.453 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227176174 882892692 /nfs/dbraw/zinc/89/26/92/882892692.db2.gz UQZQOHQQKOHMTH-BZUAXINKSA-N 2 2 314.433 1.486 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219069130 877904926 /nfs/dbraw/zinc/90/49/26/877904926.db2.gz ZXQOZLKMDUVERI-HRCADAONSA-N 2 2 318.421 1.149 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219069130 877904949 /nfs/dbraw/zinc/90/49/49/877904949.db2.gz ZXQOZLKMDUVERI-HRCADAONSA-N 2 2 318.421 1.149 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221979694 880174005 /nfs/dbraw/zinc/17/40/05/880174005.db2.gz LZCGJXPBQIQMHN-GDBMZVCRSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221979694 880174009 /nfs/dbraw/zinc/17/40/09/880174009.db2.gz LZCGJXPBQIQMHN-GDBMZVCRSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222081069 880226538 /nfs/dbraw/zinc/22/65/38/880226538.db2.gz CBKKHDBRTRXTGS-CQSZACIVSA-N 2 2 310.829 1.996 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089357 880234403 /nfs/dbraw/zinc/23/44/03/880234403.db2.gz HALSGGOKJQPEGS-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089357 880234412 /nfs/dbraw/zinc/23/44/12/880234412.db2.gz HALSGGOKJQPEGS-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001366518628 893830295 /nfs/dbraw/zinc/83/02/95/893830295.db2.gz JVIYCWXNHLAOEM-INIZCTEOSA-N 2 2 318.396 1.340 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001366518628 893830305 /nfs/dbraw/zinc/83/03/05/893830305.db2.gz JVIYCWXNHLAOEM-INIZCTEOSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC001366518628 893830320 /nfs/dbraw/zinc/83/03/20/893830320.db2.gz JVIYCWXNHLAOEM-INIZCTEOSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC001366518628 893830336 /nfs/dbraw/zinc/83/03/36/893830336.db2.gz JVIYCWXNHLAOEM-INIZCTEOSA-N 2 2 318.396 1.340 20 30 DDEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278530427 894108587 /nfs/dbraw/zinc/10/85/87/894108587.db2.gz YULPLCMJRUOJOG-LJQANCHMSA-N 2 2 322.412 1.947 20 30 DDEDLP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252463135 895172122 /nfs/dbraw/zinc/17/21/22/895172122.db2.gz LRSQPWNDZGHCCF-FGTMMUONSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252463135 895172132 /nfs/dbraw/zinc/17/21/32/895172132.db2.gz LRSQPWNDZGHCCF-FGTMMUONSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252463135 895172139 /nfs/dbraw/zinc/17/21/39/895172139.db2.gz LRSQPWNDZGHCCF-FGTMMUONSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252463135 895172145 /nfs/dbraw/zinc/17/21/45/895172145.db2.gz LRSQPWNDZGHCCF-FGTMMUONSA-N 2 2 317.433 1.009 20 30 DDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001366993102 895512404 /nfs/dbraw/zinc/51/24/04/895512404.db2.gz REUCZRAYWJVEIQ-UHFFFAOYSA-N 2 2 309.373 1.003 20 30 DDEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001278747125 896156825 /nfs/dbraw/zinc/15/68/25/896156825.db2.gz GOHWBDHUSBOMPT-ZDUSSCGKSA-N 2 2 312.364 1.533 20 30 DDEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001278747125 896156833 /nfs/dbraw/zinc/15/68/33/896156833.db2.gz GOHWBDHUSBOMPT-ZDUSSCGKSA-N 2 2 312.364 1.533 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001278756475 896215755 /nfs/dbraw/zinc/21/57/55/896215755.db2.gz PWWHLMULVMDVBH-OAHLLOKOSA-N 2 2 316.405 1.241 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864585 896888763 /nfs/dbraw/zinc/88/87/63/896888763.db2.gz FXMONEGTWPKARI-MRXNPFEDSA-N 2 2 317.433 1.395 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864585 896888773 /nfs/dbraw/zinc/88/87/73/896888773.db2.gz FXMONEGTWPKARI-MRXNPFEDSA-N 2 2 317.433 1.395 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001263872650 900788921 /nfs/dbraw/zinc/78/89/21/900788921.db2.gz RRFNOJIOWQQZOF-KLHDSHLOSA-N 2 2 316.449 1.974 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264125346 900958630 /nfs/dbraw/zinc/95/86/30/900958630.db2.gz IBKZMEMXMYMZSR-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264520887 901167060 /nfs/dbraw/zinc/16/70/60/901167060.db2.gz QWFWTAMWWJLGTR-CZUORRHYSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001280596483 903821981 /nfs/dbraw/zinc/82/19/81/903821981.db2.gz RNTJLISGFHMPIK-HNNXBMFYSA-N 2 2 320.437 1.320 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001282833760 906080275 /nfs/dbraw/zinc/08/02/75/906080275.db2.gz MMNFNIIYSVLZFQ-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001282833760 906080288 /nfs/dbraw/zinc/08/02/88/906080288.db2.gz MMNFNIIYSVLZFQ-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284026610 908337915 /nfs/dbraw/zinc/33/79/15/908337915.db2.gz QOVGDMHLYIVRFA-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001377254701 920797602 /nfs/dbraw/zinc/79/76/02/920797602.db2.gz ZBAUOHRXRFNHSM-UHFFFAOYSA-N 2 2 313.873 1.909 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001377254701 920797615 /nfs/dbraw/zinc/79/76/15/920797615.db2.gz ZBAUOHRXRFNHSM-UHFFFAOYSA-N 2 2 313.873 1.909 20 30 DDEDLP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000076733664 185036773 /nfs/dbraw/zinc/03/67/73/185036773.db2.gz XULDPWYDLCTTPN-UHFFFAOYSA-N 2 2 305.422 1.822 20 30 DDEDLP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000076733664 185036774 /nfs/dbraw/zinc/03/67/74/185036774.db2.gz XULDPWYDLCTTPN-UHFFFAOYSA-N 2 2 305.422 1.822 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000050031648 352560496 /nfs/dbraw/zinc/56/04/96/352560496.db2.gz FPTZBXJRSCCTDS-UHFFFAOYSA-N 2 2 300.406 1.109 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CC#N)C3)cn2)CC1 ZINC000597173604 357083376 /nfs/dbraw/zinc/08/33/76/357083376.db2.gz KWISJIIOLYJLNM-OAHLLOKOSA-N 2 2 314.437 1.354 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CC#N)C3)cn2)CC1 ZINC000597173604 357083377 /nfs/dbraw/zinc/08/33/77/357083377.db2.gz KWISJIIOLYJLNM-OAHLLOKOSA-N 2 2 314.437 1.354 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000597989338 357407179 /nfs/dbraw/zinc/40/71/79/357407179.db2.gz DROPSKXDZVXWPN-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000597989338 357407184 /nfs/dbraw/zinc/40/71/84/357407184.db2.gz DROPSKXDZVXWPN-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP Cc1cn2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2[nH+]1 ZINC000602081742 358803995 /nfs/dbraw/zinc/80/39/95/358803995.db2.gz AYYCCXKKAYPQCA-UHFFFAOYSA-N 2 2 313.405 1.950 20 30 DDEDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602573470 359050111 /nfs/dbraw/zinc/05/01/11/359050111.db2.gz QJZRKQVWZRIIEU-UHFFFAOYSA-N 2 2 302.422 1.932 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257588 360277028 /nfs/dbraw/zinc/27/70/28/360277028.db2.gz AFMQULXBOPKWDH-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257588 360277033 /nfs/dbraw/zinc/27/70/33/360277033.db2.gz AFMQULXBOPKWDH-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267737065 206250949 /nfs/dbraw/zinc/25/09/49/206250949.db2.gz XYCZANUFJQEOIJ-CQSZACIVSA-N 2 2 318.446 1.799 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000106340783 407359496 /nfs/dbraw/zinc/35/94/96/407359496.db2.gz JVZIZZCHBUIQFE-UHFFFAOYSA-N 2 2 324.469 1.001 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000107369614 407373838 /nfs/dbraw/zinc/37/38/38/407373838.db2.gz GBJDGWMGNUZCCS-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000107369614 407373839 /nfs/dbraw/zinc/37/38/39/407373839.db2.gz GBJDGWMGNUZCCS-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)cc1 ZINC000120773755 408141790 /nfs/dbraw/zinc/14/17/90/408141790.db2.gz RXXBOEKQGJBALQ-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)cc1 ZINC000120773755 408141797 /nfs/dbraw/zinc/14/17/97/408141797.db2.gz RXXBOEKQGJBALQ-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000120866866 408145466 /nfs/dbraw/zinc/14/54/66/408145466.db2.gz DGWZRRUURXJSTO-UHFFFAOYSA-N 2 2 312.417 1.320 20 30 DDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000120866866 408145468 /nfs/dbraw/zinc/14/54/68/408145468.db2.gz DGWZRRUURXJSTO-UHFFFAOYSA-N 2 2 312.417 1.320 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150858675 408214113 /nfs/dbraw/zinc/21/41/13/408214113.db2.gz OOEGNDCBDFLAPZ-JFIYKMOQSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150858675 408214121 /nfs/dbraw/zinc/21/41/21/408214121.db2.gz OOEGNDCBDFLAPZ-JFIYKMOQSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000269355887 408280854 /nfs/dbraw/zinc/28/08/54/408280854.db2.gz UBWOYXNKGPVUSD-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP CCc1nnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)o1 ZINC000269440588 408310648 /nfs/dbraw/zinc/31/06/48/408310648.db2.gz SKLKDLBSJIVBBT-UHFFFAOYSA-N 2 2 303.366 1.531 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(CC#N)cc2)CC1 ZINC000270375165 408508833 /nfs/dbraw/zinc/50/88/33/408508833.db2.gz NVNBSFMYVKQBDU-UHFFFAOYSA-N 2 2 314.433 1.508 20 30 DDEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282169170 409004186 /nfs/dbraw/zinc/00/41/86/409004186.db2.gz DWGYBKJWZKWJJI-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282169170 409004187 /nfs/dbraw/zinc/00/41/87/409004187.db2.gz DWGYBKJWZKWJJI-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000292791226 409042221 /nfs/dbraw/zinc/04/22/21/409042221.db2.gz MNJVQINCISURST-HNNXBMFYSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000292791226 409042222 /nfs/dbraw/zinc/04/22/22/409042222.db2.gz MNJVQINCISURST-HNNXBMFYSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000292791226 409042223 /nfs/dbraw/zinc/04/22/23/409042223.db2.gz MNJVQINCISURST-HNNXBMFYSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000292791226 409042225 /nfs/dbraw/zinc/04/22/25/409042225.db2.gz MNJVQINCISURST-HNNXBMFYSA-N 2 2 317.437 1.052 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571898 409494390 /nfs/dbraw/zinc/49/43/90/409494390.db2.gz SNGNPXYLMNLWJT-GDBMZVCRSA-N 2 2 310.405 1.260 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571898 409494393 /nfs/dbraw/zinc/49/43/93/409494393.db2.gz SNGNPXYLMNLWJT-GDBMZVCRSA-N 2 2 310.405 1.260 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000303900087 409556100 /nfs/dbraw/zinc/55/61/00/409556100.db2.gz WNDHOHXVIXYXKW-UHFFFAOYSA-N 2 2 310.467 1.437 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000303900087 409556111 /nfs/dbraw/zinc/55/61/11/409556111.db2.gz WNDHOHXVIXYXKW-UHFFFAOYSA-N 2 2 310.467 1.437 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595371 410376167 /nfs/dbraw/zinc/37/61/67/410376167.db2.gz BUBJMAWXKCJCLP-XUJVJEKNSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595371 410376175 /nfs/dbraw/zinc/37/61/75/410376175.db2.gz BUBJMAWXKCJCLP-XUJVJEKNSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595371 410376180 /nfs/dbraw/zinc/37/61/80/410376180.db2.gz BUBJMAWXKCJCLP-XUJVJEKNSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595371 410376187 /nfs/dbraw/zinc/37/61/87/410376187.db2.gz BUBJMAWXKCJCLP-XUJVJEKNSA-N 2 2 305.426 1.453 20 30 DDEDLP C=C[C@@](C)(CCOC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000352983883 410716137 /nfs/dbraw/zinc/71/61/37/410716137.db2.gz FSIKBUVFVSHTLJ-KRWDZBQOSA-N 2 2 311.470 1.357 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498098 418481999 /nfs/dbraw/zinc/48/19/99/418481999.db2.gz QUEGVALBGDOZAT-RDJZCZTQSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498098 418482000 /nfs/dbraw/zinc/48/20/00/418482000.db2.gz QUEGVALBGDOZAT-RDJZCZTQSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366498098 418482002 /nfs/dbraw/zinc/48/20/02/418482002.db2.gz QUEGVALBGDOZAT-RDJZCZTQSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366498098 418482005 /nfs/dbraw/zinc/48/20/05/418482005.db2.gz QUEGVALBGDOZAT-RDJZCZTQSA-N 2 2 318.465 1.745 20 30 DDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCCO1 ZINC000261889630 222261201 /nfs/dbraw/zinc/26/12/01/222261201.db2.gz SUTXLXJCSLYFOC-CYBMUJFWSA-N 2 2 317.368 1.595 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1c(C)noc1C ZINC000261941789 222262228 /nfs/dbraw/zinc/26/22/28/222262228.db2.gz MUGVPYSSWFQSTM-UHFFFAOYSA-N 2 2 316.409 1.689 20 30 DDEDLP CCCNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264082255 222314627 /nfs/dbraw/zinc/31/46/27/222314627.db2.gz HSAHMYZUBODWQO-HNNXBMFYSA-N 2 2 303.454 1.511 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376732002 418701121 /nfs/dbraw/zinc/70/11/21/418701121.db2.gz CROJEQGNUDJWMM-KRWDZBQOSA-N 2 2 321.465 1.254 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)C[C@@H]1C ZINC000564212339 421576227 /nfs/dbraw/zinc/57/62/27/421576227.db2.gz SNMZXRPLKLDXAH-BBRMVZONSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)C[C@@H]1C ZINC000564212339 421576231 /nfs/dbraw/zinc/57/62/31/421576231.db2.gz SNMZXRPLKLDXAH-BBRMVZONSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)C[C@@H]1C ZINC000564212339 421576233 /nfs/dbraw/zinc/57/62/33/421576233.db2.gz SNMZXRPLKLDXAH-BBRMVZONSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C[C@@H]1C ZINC000564212339 421576236 /nfs/dbraw/zinc/57/62/36/421576236.db2.gz SNMZXRPLKLDXAH-BBRMVZONSA-N 2 2 312.421 1.906 20 30 DDEDLP C[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000519590315 421703244 /nfs/dbraw/zinc/70/32/44/421703244.db2.gz HBLVZYLSSQWFDH-HZPDHXFCSA-N 2 2 315.421 1.316 20 30 DDEDLP C[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000519590315 421703246 /nfs/dbraw/zinc/70/32/46/421703246.db2.gz HBLVZYLSSQWFDH-HZPDHXFCSA-N 2 2 315.421 1.316 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000363575215 268249505 /nfs/dbraw/zinc/24/95/05/268249505.db2.gz OUYKKGXHUHYZJA-UHFFFAOYSA-N 2 2 323.400 1.708 20 30 DDEDLP CC(C)C[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329834233 275569669 /nfs/dbraw/zinc/56/96/69/275569669.db2.gz KZTKUTDYQOKREV-UHFFFAOYSA-N 2 2 305.426 1.733 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000267737062 276152132 /nfs/dbraw/zinc/15/21/32/276152132.db2.gz XYCZANUFJQEOIJ-AWEZNQCLSA-N 2 2 318.446 1.799 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143070 277160753 /nfs/dbraw/zinc/16/07/53/277160753.db2.gz MSKJNMWKRBSYJW-IEBWSBKVSA-N 2 2 324.428 1.691 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143070 277160754 /nfs/dbraw/zinc/16/07/54/277160754.db2.gz MSKJNMWKRBSYJW-IEBWSBKVSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143070 277160756 /nfs/dbraw/zinc/16/07/56/277160756.db2.gz MSKJNMWKRBSYJW-IEBWSBKVSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143070 277160757 /nfs/dbraw/zinc/16/07/57/277160757.db2.gz MSKJNMWKRBSYJW-IEBWSBKVSA-N 2 2 324.428 1.691 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329520751 289041112 /nfs/dbraw/zinc/04/11/12/289041112.db2.gz FNIMZMRMGNEJGH-RBSFLKMASA-N 2 2 317.437 1.671 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000424189359 290024126 /nfs/dbraw/zinc/02/41/26/290024126.db2.gz KNCZJILSPJGUGT-HZPDHXFCSA-N 2 2 300.406 1.523 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000424189359 290024128 /nfs/dbraw/zinc/02/41/28/290024128.db2.gz KNCZJILSPJGUGT-HZPDHXFCSA-N 2 2 300.406 1.523 20 30 DDEDLP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000577482297 308391211 /nfs/dbraw/zinc/39/12/11/308391211.db2.gz RBGUMYKQRZIRCB-XKQJLSEDSA-N 2 2 312.417 1.784 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340229974 334153033 /nfs/dbraw/zinc/15/30/33/334153033.db2.gz CUVUTSSOIXSHOY-UHFFFAOYSA-N 2 2 314.495 1.830 20 30 DDEDLP C=CC[C@@H](CO)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000340742079 334383639 /nfs/dbraw/zinc/38/36/39/334383639.db2.gz JZYULFZANXUOKI-GFCCVEGCSA-N 2 2 310.361 1.807 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000582554437 337108506 /nfs/dbraw/zinc/10/85/06/337108506.db2.gz MVSKYAVSJMUHMY-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP COCC#CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711563 486498811 /nfs/dbraw/zinc/49/88/11/486498811.db2.gz NXPLTJQGAMECJX-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711563 486498816 /nfs/dbraw/zinc/49/88/16/486498816.db2.gz NXPLTJQGAMECJX-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711563 486498819 /nfs/dbraw/zinc/49/88/19/486498819.db2.gz NXPLTJQGAMECJX-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711563 486498823 /nfs/dbraw/zinc/49/88/23/486498823.db2.gz NXPLTJQGAMECJX-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000491736433 526948369 /nfs/dbraw/zinc/94/83/69/526948369.db2.gz NGIBHMMFIVPMBV-INIZCTEOSA-N 2 2 310.357 1.522 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000491736433 526948380 /nfs/dbraw/zinc/94/83/80/526948380.db2.gz NGIBHMMFIVPMBV-INIZCTEOSA-N 2 2 310.357 1.522 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)CC1 ZINC000491325900 526953060 /nfs/dbraw/zinc/95/30/60/526953060.db2.gz HZJXAJQYDRWLPM-LSDHHAIUSA-N 2 2 314.433 1.031 20 30 DDEDLP CC(C)C[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190358 527958089 /nfs/dbraw/zinc/95/80/89/527958089.db2.gz WBWBRADZAUEHAC-OAHLLOKOSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)C[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190358 527958096 /nfs/dbraw/zinc/95/80/96/527958096.db2.gz WBWBRADZAUEHAC-OAHLLOKOSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[C@@H]1C[NH+](CC#CC[N@@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000341906057 528745367 /nfs/dbraw/zinc/74/53/67/528745367.db2.gz UHIKRQMXKVBFLQ-ROUUACIJSA-N 2 2 308.466 1.703 20 30 DDEDLP CC(C)[C@@H]1C[NH+](CC#CC[N@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000341906057 528745371 /nfs/dbraw/zinc/74/53/71/528745371.db2.gz UHIKRQMXKVBFLQ-ROUUACIJSA-N 2 2 308.466 1.703 20 30 DDEDLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330400942 529049645 /nfs/dbraw/zinc/04/96/45/529049645.db2.gz FCPUSGGRNHRKHK-HNNXBMFYSA-N 2 2 319.453 1.883 20 30 DDEDLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330400942 529049649 /nfs/dbraw/zinc/04/96/49/529049649.db2.gz FCPUSGGRNHRKHK-HNNXBMFYSA-N 2 2 319.453 1.883 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980231880 696714221 /nfs/dbraw/zinc/71/42/21/696714221.db2.gz UBELQVOSIBENGH-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980231880 696714223 /nfs/dbraw/zinc/71/42/23/696714223.db2.gz UBELQVOSIBENGH-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274176 696725287 /nfs/dbraw/zinc/72/52/87/696725287.db2.gz MIHWOGSAEWHNDB-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274176 696725288 /nfs/dbraw/zinc/72/52/88/696725288.db2.gz MIHWOGSAEWHNDB-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810720 695100370 /nfs/dbraw/zinc/10/03/70/695100370.db2.gz GQYKMGDXMTXLQT-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810720 695100371 /nfs/dbraw/zinc/10/03/71/695100371.db2.gz GQYKMGDXMTXLQT-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000972007206 695138076 /nfs/dbraw/zinc/13/80/76/695138076.db2.gz XDKRDNPFJAEHQF-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000972007206 695138078 /nfs/dbraw/zinc/13/80/78/695138078.db2.gz 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C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028714350 739945198 /nfs/dbraw/zinc/94/51/98/739945198.db2.gz UFBZBNIKBOUROQ-IAGOWNOFSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028714350 739945199 /nfs/dbraw/zinc/94/51/99/739945199.db2.gz UFBZBNIKBOUROQ-IAGOWNOFSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810939 740069304 /nfs/dbraw/zinc/06/93/04/740069304.db2.gz FNSCWTFWDJJBMG-RRFJBIMHSA-N 2 2 302.422 1.538 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810939 740069308 /nfs/dbraw/zinc/06/93/08/740069308.db2.gz FNSCWTFWDJJBMG-RRFJBIMHSA-N 2 2 302.422 1.538 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001037960823 751595962 /nfs/dbraw/zinc/59/59/62/751595962.db2.gz GUHKLCSOQGLDSK-GOEBONIOSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181308 741731510 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DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184903195 744123873 /nfs/dbraw/zinc/12/38/73/744123873.db2.gz NAIKENPJXBKUPY-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185216084 744181895 /nfs/dbraw/zinc/18/18/95/744181895.db2.gz NXFHAFOPQSDHGS-CABCVRRESA-N 2 2 320.437 1.229 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190179178 745142017 /nfs/dbraw/zinc/14/20/17/745142017.db2.gz ZGOIWWDTIOFWLN-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190179178 745142018 /nfs/dbraw/zinc/14/20/18/745142018.db2.gz ZGOIWWDTIOFWLN-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009703 745402954 /nfs/dbraw/zinc/40/29/54/745402954.db2.gz HYJFEWPDOICJAM-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009703 745402955 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304.438 1.797 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461942 745718964 /nfs/dbraw/zinc/71/89/64/745718964.db2.gz ROTYFROKYDMZHI-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238661 745851037 /nfs/dbraw/zinc/85/10/37/745851037.db2.gz CSKXBQMLJLNLRS-CABCVRRESA-N 2 2 300.406 1.314 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993604068 746227408 /nfs/dbraw/zinc/22/74/08/746227408.db2.gz BZPICJQWEVCJCG-ZIAGYGMSSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993604068 746227415 /nfs/dbraw/zinc/22/74/15/746227415.db2.gz BZPICJQWEVCJCG-ZIAGYGMSSA-N 2 2 310.829 1.913 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994081262 746445208 /nfs/dbraw/zinc/44/52/08/746445208.db2.gz PIPVHQXJVVHZSU-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C 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317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078961 775652542 /nfs/dbraw/zinc/65/25/42/775652542.db2.gz RFJLMZBISZMOOG-KGLIPLIRSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078961 775652546 /nfs/dbraw/zinc/65/25/46/775652546.db2.gz RFJLMZBISZMOOG-KGLIPLIRSA-N 2 2 317.861 1.022 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581590 777512140 /nfs/dbraw/zinc/51/21/40/777512140.db2.gz ULLSMDXTAAASRV-MRXNPFEDSA-N 2 2 320.437 1.188 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177130570 778447747 /nfs/dbraw/zinc/44/77/47/778447747.db2.gz CRINJCNKMWYRAT-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177130570 778447751 /nfs/dbraw/zinc/44/77/51/778447751.db2.gz CRINJCNKMWYRAT-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977746 779230994 /nfs/dbraw/zinc/23/09/94/779230994.db2.gz DKFQROKFPGCLOM-ZFWWWQNUSA-N 2 2 301.390 1.235 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306740 837793563 /nfs/dbraw/zinc/79/35/63/837793563.db2.gz WWTIFEBWVTXXQX-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306740 837793571 /nfs/dbraw/zinc/79/35/71/837793571.db2.gz WWTIFEBWVTXXQX-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001266252120 835989963 /nfs/dbraw/zinc/98/99/63/835989963.db2.gz NGODFUHMYVJKRP-KRWDZBQOSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001266252120 835989973 /nfs/dbraw/zinc/98/99/73/835989973.db2.gz NGODFUHMYVJKRP-KRWDZBQOSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001266252120 835989977 /nfs/dbraw/zinc/98/99/77/835989977.db2.gz NGODFUHMYVJKRP-KRWDZBQOSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001266252120 835989982 /nfs/dbraw/zinc/98/99/82/835989982.db2.gz NGODFUHMYVJKRP-KRWDZBQOSA-N 2 2 301.434 1.885 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001266879741 836988374 /nfs/dbraw/zinc/98/83/74/836988374.db2.gz DDIPUSALUSRVRR-AWEZNQCLSA-N 2 2 302.422 1.681 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266890651 837002727 /nfs/dbraw/zinc/00/27/27/837002727.db2.gz LJACNJOVDAXDQV-HZPDHXFCSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266890651 837002737 /nfs/dbraw/zinc/00/27/37/837002737.db2.gz LJACNJOVDAXDQV-HZPDHXFCSA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267108801 837365246 /nfs/dbraw/zinc/36/52/46/837365246.db2.gz SVKVHIHJAVUPMP-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267108801 837365254 /nfs/dbraw/zinc/36/52/54/837365254.db2.gz SVKVHIHJAVUPMP-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267658954 838599573 /nfs/dbraw/zinc/59/95/73/838599573.db2.gz UJSAIWBKJNQNHU-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267658954 838599577 /nfs/dbraw/zinc/59/95/77/838599577.db2.gz UJSAIWBKJNQNHU-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812263 842070900 /nfs/dbraw/zinc/07/09/00/842070900.db2.gz AROPGWXWEPBDBA-LSDHHAIUSA-N 2 2 316.449 1.943 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001270166163 842349770 /nfs/dbraw/zinc/34/97/70/842349770.db2.gz SXJQRFVAJSLDJQ-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001326382146 861318119 /nfs/dbraw/zinc/31/81/19/861318119.db2.gz ONLFOROYJBHESP-JKSUJKDBSA-N 2 2 302.422 1.686 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001271450752 843613642 /nfs/dbraw/zinc/61/36/42/843613642.db2.gz WOBLVPOILREECU-KBPBESRZSA-N 2 2 302.422 1.537 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001271650335 843756152 /nfs/dbraw/zinc/75/61/52/843756152.db2.gz WEAZKPIRCRADNZ-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054541 862055071 /nfs/dbraw/zinc/05/50/71/862055071.db2.gz VUXVKYZWUICGSQ-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054541 862055091 /nfs/dbraw/zinc/05/50/91/862055091.db2.gz VUXVKYZWUICGSQ-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048051 851887540 /nfs/dbraw/zinc/88/75/40/851887540.db2.gz IAKADWGWBIYLLB-APHBUQMISA-N 2 2 317.437 1.628 20 30 DDEDLP C=C(C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048051 851887545 /nfs/dbraw/zinc/88/75/45/851887545.db2.gz IAKADWGWBIYLLB-APHBUQMISA-N 2 2 317.437 1.628 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156162559 862765951 /nfs/dbraw/zinc/76/59/51/862765951.db2.gz SLZWWARHOQKHDN-CQSZACIVSA-N 2 2 313.405 1.894 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156162559 862765957 /nfs/dbraw/zinc/76/59/57/862765957.db2.gz SLZWWARHOQKHDN-CQSZACIVSA-N 2 2 313.405 1.894 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072735885 857655175 /nfs/dbraw/zinc/65/51/75/857655175.db2.gz VCFPUUQOELHGPY-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072735885 857655177 /nfs/dbraw/zinc/65/51/77/857655177.db2.gz VCFPUUQOELHGPY-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001072872481 857827679 /nfs/dbraw/zinc/82/76/79/857827679.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001072872481 857827691 /nfs/dbraw/zinc/82/76/91/857827691.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001072872481 857827702 /nfs/dbraw/zinc/82/77/02/857827702.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001072872481 857827713 /nfs/dbraw/zinc/82/77/13/857827713.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021312 858007472 /nfs/dbraw/zinc/00/74/72/858007472.db2.gz GFMNNVMEOKWJLE-HNNXBMFYSA-N 2 2 302.422 1.945 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021312 858007481 /nfs/dbraw/zinc/00/74/81/858007481.db2.gz GFMNNVMEOKWJLE-HNNXBMFYSA-N 2 2 302.422 1.945 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121897267 858622591 /nfs/dbraw/zinc/62/25/91/858622591.db2.gz XPKDKOSYLROZNC-VPCQXRJPSA-N 2 2 300.406 1.239 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121897267 858622596 /nfs/dbraw/zinc/62/25/96/858622596.db2.gz XPKDKOSYLROZNC-VPCQXRJPSA-N 2 2 300.406 1.239 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225310495 881773114 /nfs/dbraw/zinc/77/31/14/881773114.db2.gz PMBXPFIBORZOIJ-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001331492085 865115208 /nfs/dbraw/zinc/11/52/08/865115208.db2.gz YUQSJPCZIGHZOV-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332111449 865586390 /nfs/dbraw/zinc/58/63/90/865586390.db2.gz NALOBQZADILDAF-XYJFISCASA-N 2 2 314.433 1.971 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001332140295 865608558 /nfs/dbraw/zinc/60/85/58/865608558.db2.gz NRRJIGIFISMOFD-YESZJQIVSA-N 2 2 314.433 1.513 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001332273331 865717383 /nfs/dbraw/zinc/71/73/83/865717383.db2.gz WFEWAZYNCVGJPP-ZFWWWQNUSA-N 2 2 301.390 1.140 20 30 DDEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160743663 866092087 /nfs/dbraw/zinc/09/20/87/866092087.db2.gz XXHKBNWHQRQSSH-KBPBESRZSA-N 2 2 306.797 1.271 20 30 DDEDLP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320022313 866432493 /nfs/dbraw/zinc/43/24/93/866432493.db2.gz USFRAJYNUHSIQH-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320021479 866432403 /nfs/dbraw/zinc/43/24/03/866432403.db2.gz PTAJKBBATHDCES-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320021479 866432408 /nfs/dbraw/zinc/43/24/08/866432408.db2.gz PTAJKBBATHDCES-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320022313 866432490 /nfs/dbraw/zinc/43/24/90/866432490.db2.gz USFRAJYNUHSIQH-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)C1 ZINC001333528094 866813805 /nfs/dbraw/zinc/81/38/05/866813805.db2.gz BFYOPAOSJAFIFE-HNNXBMFYSA-N 2 2 323.400 1.403 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)C1 ZINC001333528094 866813818 /nfs/dbraw/zinc/81/38/18/866813818.db2.gz BFYOPAOSJAFIFE-HNNXBMFYSA-N 2 2 323.400 1.403 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCCCF)C1 ZINC001323946047 866968906 /nfs/dbraw/zinc/96/89/06/866968906.db2.gz JFHREYZOBSYGON-INIZCTEOSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCCCF)C1 ZINC001323946047 866968925 /nfs/dbraw/zinc/96/89/25/866968925.db2.gz JFHREYZOBSYGON-INIZCTEOSA-N 2 2 309.429 1.366 20 30 DDEDLP N#Cc1cc(C#N)c(NCC[NH+]2CCC([NH3+])CC2)nc1Cl ZINC001161867825 867046538 /nfs/dbraw/zinc/04/65/38/867046538.db2.gz QFUSOSCZTYTKFT-UHFFFAOYSA-N 2 2 304.785 1.313 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001322160663 868012774 /nfs/dbraw/zinc/01/27/74/868012774.db2.gz OKEJCWVZZVKSSF-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001322160663 868012785 /nfs/dbraw/zinc/01/27/85/868012785.db2.gz OKEJCWVZZVKSSF-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001325694483 868259065 /nfs/dbraw/zinc/25/90/65/868259065.db2.gz UKLGVYJUTMQNAH-UHFFFAOYSA-N 2 2 324.428 1.984 20 30 DDEDLP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001325694483 868259081 /nfs/dbraw/zinc/25/90/81/868259081.db2.gz UKLGVYJUTMQNAH-UHFFFAOYSA-N 2 2 324.428 1.984 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164351671 869144014 /nfs/dbraw/zinc/14/40/14/869144014.db2.gz LRTBQMNXWBYBGB-UHFFFAOYSA-N 2 2 310.829 1.971 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203537062 870625365 /nfs/dbraw/zinc/62/53/65/870625365.db2.gz BNGHLBXXNCHFLM-UONOGXRCSA-N 2 2 318.421 1.172 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340491287 871144763 /nfs/dbraw/zinc/14/47/63/871144763.db2.gz GIIOMBKCOBSYIZ-CQSZACIVSA-N 2 2 304.442 1.373 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340491287 871144778 /nfs/dbraw/zinc/14/47/78/871144778.db2.gz GIIOMBKCOBSYIZ-CQSZACIVSA-N 2 2 304.442 1.373 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001317667684 871365295 /nfs/dbraw/zinc/36/52/95/871365295.db2.gz RXYBZXVBISZHNJ-UHFFFAOYSA-N 2 2 315.352 1.142 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317686621 871409898 /nfs/dbraw/zinc/40/98/98/871409898.db2.gz NHSBVHGWSHKTCY-NUEKZKHPSA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317686621 871409911 /nfs/dbraw/zinc/40/99/11/871409911.db2.gz NHSBVHGWSHKTCY-NUEKZKHPSA-N 2 2 314.433 1.753 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001342421560 872201433 /nfs/dbraw/zinc/20/14/33/872201433.db2.gz JOLRVHQFPHGMKF-QGZVFWFLSA-N 2 2 317.408 1.644 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001318687850 872204884 /nfs/dbraw/zinc/20/48/84/872204884.db2.gz QJRPMWDMQKNZCH-NVXWUHKLSA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318687850 872204895 /nfs/dbraw/zinc/20/48/95/872204895.db2.gz QJRPMWDMQKNZCH-NVXWUHKLSA-N 2 2 309.454 1.158 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917838 872360025 /nfs/dbraw/zinc/36/00/25/872360025.db2.gz KKOUMIPLXSNGQF-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917838 872360047 /nfs/dbraw/zinc/36/00/47/872360047.db2.gz KKOUMIPLXSNGQF-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988124 876529296 /nfs/dbraw/zinc/52/92/96/876529296.db2.gz KHKVMASZLKVZKQ-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001379276924 876726061 /nfs/dbraw/zinc/72/60/61/876726061.db2.gz UDYIOWPUEFHAJO-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227629077 883114924 /nfs/dbraw/zinc/11/49/24/883114924.db2.gz OFPBLCQPRMFOCN-CQSZACIVSA-N 2 2 319.852 1.999 20 30 DDEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001218798285 877733096 /nfs/dbraw/zinc/73/30/96/877733096.db2.gz OJLGINFJQLOANK-INIZCTEOSA-N 2 2 313.361 1.127 20 30 DDEDLP C#CC[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001357129979 879814317 /nfs/dbraw/zinc/81/43/17/879814317.db2.gz ULGUNQNACDOBOO-MRXNPFEDSA-N 2 2 319.836 1.816 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947213 880163336 /nfs/dbraw/zinc/16/33/36/880163336.db2.gz XWQTZEIAFBHZIS-GDBMZVCRSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947213 880163338 /nfs/dbraw/zinc/16/33/38/880163338.db2.gz XWQTZEIAFBHZIS-GDBMZVCRSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541172 880999583 /nfs/dbraw/zinc/99/95/83/880999583.db2.gz JQUHCAZLSCNOBD-KRWDZBQOSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228055054 883311147 /nfs/dbraw/zinc/31/11/47/883311147.db2.gz WLWKPXBROZCQKO-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277662735 886352842 /nfs/dbraw/zinc/35/28/42/886352842.db2.gz NEYTVABVGZFVCU-RDJZCZTQSA-N 2 2 316.449 1.848 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234214338 887754426 /nfs/dbraw/zinc/75/44/26/887754426.db2.gz AEIKRIQJDXGPJT-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234214338 887754435 /nfs/dbraw/zinc/75/44/35/887754435.db2.gz AEIKRIQJDXGPJT-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234214338 887754446 /nfs/dbraw/zinc/75/44/46/887754446.db2.gz AEIKRIQJDXGPJT-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234214338 887754457 /nfs/dbraw/zinc/75/44/57/887754457.db2.gz AEIKRIQJDXGPJT-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCF ZINC001235453852 888655459 /nfs/dbraw/zinc/65/54/59/888655459.db2.gz HJIHAXYBTXNRRH-IRXDYDNUSA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCF ZINC001235453852 888655471 /nfs/dbraw/zinc/65/54/71/888655471.db2.gz HJIHAXYBTXNRRH-IRXDYDNUSA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCF ZINC001235453852 888655479 /nfs/dbraw/zinc/65/54/79/888655479.db2.gz HJIHAXYBTXNRRH-IRXDYDNUSA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCF ZINC001235453852 888655491 /nfs/dbraw/zinc/65/54/91/888655491.db2.gz HJIHAXYBTXNRRH-IRXDYDNUSA-N 2 2 323.456 1.757 20 30 DDEDLP N#Cc1ccc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)nc1 ZINC001247698626 893299620 /nfs/dbraw/zinc/29/96/20/893299620.db2.gz QJPYUYOGYOKDGR-ZDUSSCGKSA-N 2 2 306.329 1.629 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001367860053 898053753 /nfs/dbraw/zinc/05/37/53/898053753.db2.gz WATUPGMPMYIRKA-OAHLLOKOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001367860053 898053759 /nfs/dbraw/zinc/05/37/59/898053759.db2.gz WATUPGMPMYIRKA-OAHLLOKOSA-N 2 2 314.433 1.591 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262569384 900251756 /nfs/dbraw/zinc/25/17/56/900251756.db2.gz XGPLJKJWRMSQSM-MRXNPFEDSA-N 2 2 303.362 1.315 20 30 DDEDLP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266010340 902749392 /nfs/dbraw/zinc/74/93/92/902749392.db2.gz HIDDKWFXCWPBRK-GOEBONIOSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266075326 902894052 /nfs/dbraw/zinc/89/40/52/902894052.db2.gz LSMZIFBEBAXQIV-LSDHHAIUSA-N 2 2 302.422 1.393 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283205160 906883481 /nfs/dbraw/zinc/88/34/81/906883481.db2.gz XHTMGUUJRHKSEK-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316633715 909262774 /nfs/dbraw/zinc/26/27/74/909262774.db2.gz QCECRCFKGFOSRR-BRWVUGGUSA-N 2 2 316.449 1.978 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284630236 909275031 /nfs/dbraw/zinc/27/50/31/909275031.db2.gz IFJNJCKUKBBRIE-FMKPAKJESA-N 2 2 316.449 1.667 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001373601504 910306141 /nfs/dbraw/zinc/30/61/41/910306141.db2.gz WIKAYQIVUCSUAM-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001373601504 910306162 /nfs/dbraw/zinc/30/61/62/910306162.db2.gz WIKAYQIVUCSUAM-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001375572303 916354269 /nfs/dbraw/zinc/35/42/69/916354269.db2.gz XIDPQUIKNDMQAJ-UONOGXRCSA-N 2 2 324.856 1.980 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151111548 539197695 /nfs/dbraw/zinc/19/76/95/539197695.db2.gz LDKSCVXEGQNJQS-INIZCTEOSA-N 2 2 314.433 1.793 20 30 DDEDLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491848814 234313913 /nfs/dbraw/zinc/31/39/13/234313913.db2.gz UGQRJXRXFHOTIL-ARJAWSKDSA-N 2 2 312.417 1.320 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959200 353639139 /nfs/dbraw/zinc/63/91/39/353639139.db2.gz RWRIGRXFEVNKIN-CQSZACIVSA-N 2 2 314.393 1.245 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959200 353639144 /nfs/dbraw/zinc/63/91/44/353639144.db2.gz RWRIGRXFEVNKIN-CQSZACIVSA-N 2 2 314.393 1.245 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595940917 356715157 /nfs/dbraw/zinc/71/51/57/356715157.db2.gz WDNXGLHDLNTDHY-AWEZNQCLSA-N 2 2 301.394 1.319 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634105 357999803 /nfs/dbraw/zinc/99/98/03/357999803.db2.gz OYXKXMGJBAAHNB-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634105 357999804 /nfs/dbraw/zinc/99/98/04/357999804.db2.gz OYXKXMGJBAAHNB-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602867552 359252051 /nfs/dbraw/zinc/25/20/51/359252051.db2.gz DXZFEJMWAOUXKO-KBPBESRZSA-N 2 2 301.394 1.010 20 30 DDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602977224 359335410 /nfs/dbraw/zinc/33/54/10/359335410.db2.gz ZGFWVVLGBCHSEU-BBRMVZONSA-N 2 2 304.438 1.353 20 30 DDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602977224 359335413 /nfs/dbraw/zinc/33/54/13/359335413.db2.gz ZGFWVVLGBCHSEU-BBRMVZONSA-N 2 2 304.438 1.353 20 30 DDEDLP Cc1cccn2cc(CC(=O)NC3(C#N)CC[NH+](C)CC3)[nH+]c12 ZINC000608783157 360241934 /nfs/dbraw/zinc/24/19/34/360241934.db2.gz KWQMKPTYJORIRW-UHFFFAOYSA-N 2 2 311.389 1.289 20 30 DDEDLP N#Cc1csc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000610488737 360449573 /nfs/dbraw/zinc/44/95/73/360449573.db2.gz LGJQVPGYVSUQDG-OAHLLOKOSA-N 2 2 320.462 1.116 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccnc(C#N)c1 ZINC000610995491 360594933 /nfs/dbraw/zinc/59/49/33/360594933.db2.gz IQRZHQCLVKFKGR-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccnc(C#N)c1 ZINC000610995491 360594938 /nfs/dbraw/zinc/59/49/38/360594938.db2.gz IQRZHQCLVKFKGR-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000613255866 361352725 /nfs/dbraw/zinc/35/27/25/361352725.db2.gz PVJJIZKJMDHVMU-ZNMIVQPWSA-N 2 2 315.421 1.583 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242837 304132041 /nfs/dbraw/zinc/13/20/41/304132041.db2.gz MXDCANSXQKGPFX-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242837 304132043 /nfs/dbraw/zinc/13/20/43/304132043.db2.gz MXDCANSXQKGPFX-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242837 304132045 /nfs/dbraw/zinc/13/20/45/304132045.db2.gz MXDCANSXQKGPFX-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242837 304132048 /nfs/dbraw/zinc/13/20/48/304132048.db2.gz MXDCANSXQKGPFX-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119358384 221526470 /nfs/dbraw/zinc/52/64/70/221526470.db2.gz HDNNUOHLWOSPKI-AWEZNQCLSA-N 2 2 303.410 1.139 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289444342 335063568 /nfs/dbraw/zinc/06/35/68/335063568.db2.gz WTNXLXCUYPAMIF-HNNXBMFYSA-N 2 2 322.412 1.495 20 30 DDEDLP CN(CCC#N)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000072658683 406884216 /nfs/dbraw/zinc/88/42/16/406884216.db2.gz SMRHLZAJJJBBAW-UHFFFAOYSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)cc1 ZINC000114506512 407588786 /nfs/dbraw/zinc/58/87/86/407588786.db2.gz WCDWCDRHORDZDU-UHFFFAOYSA-N 2 2 316.449 1.038 20 30 DDEDLP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000179246135 407762523 /nfs/dbraw/zinc/76/25/23/407762523.db2.gz KHMDKVFIUGPKAD-OAHLLOKOSA-N 2 2 311.451 1.647 20 30 DDEDLP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000179246135 407762528 /nfs/dbraw/zinc/76/25/28/407762528.db2.gz KHMDKVFIUGPKAD-OAHLLOKOSA-N 2 2 311.451 1.647 20 30 DDEDLP C[C@@H](CC#N)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161813340 408643594 /nfs/dbraw/zinc/64/35/94/408643594.db2.gz PHBDYORQFJERLP-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP C[C@@H](CC#N)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161813340 408643598 /nfs/dbraw/zinc/64/35/98/408643598.db2.gz PHBDYORQFJERLP-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081644 408987185 /nfs/dbraw/zinc/98/71/85/408987185.db2.gz OCBFBRYICGQSFJ-HUUCEWRRSA-N 2 2 314.433 1.537 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081644 408987187 /nfs/dbraw/zinc/98/71/87/408987187.db2.gz OCBFBRYICGQSFJ-HUUCEWRRSA-N 2 2 314.433 1.537 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292233987 409006279 /nfs/dbraw/zinc/00/62/79/409006279.db2.gz WDSPAXBJPULHRH-KSSFIOAISA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292233987 409006282 /nfs/dbraw/zinc/00/62/82/409006282.db2.gz WDSPAXBJPULHRH-KSSFIOAISA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292233987 409006283 /nfs/dbraw/zinc/00/62/83/409006283.db2.gz WDSPAXBJPULHRH-KSSFIOAISA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292233987 409006286 /nfs/dbraw/zinc/00/62/86/409006286.db2.gz WDSPAXBJPULHRH-KSSFIOAISA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+](Cc2ccccc2)C1 ZINC000289179033 409230188 /nfs/dbraw/zinc/23/01/88/409230188.db2.gz AEIDLQMLVAVOEZ-RDJZCZTQSA-N 2 2 324.432 1.650 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000289179033 409230191 /nfs/dbraw/zinc/23/01/91/409230191.db2.gz AEIDLQMLVAVOEZ-RDJZCZTQSA-N 2 2 324.432 1.650 20 30 DDEDLP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344076273 410939809 /nfs/dbraw/zinc/93/98/09/410939809.db2.gz OAQAHTWHVKIQOU-ZDUSSCGKSA-N 2 2 300.406 1.376 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262459819 222282128 /nfs/dbraw/zinc/28/21/28/222282128.db2.gz MCIIHJGHXLXKJH-LBPRGKRZSA-N 2 2 301.394 1.380 20 30 DDEDLP CCc1cccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000262536867 222285385 /nfs/dbraw/zinc/28/53/85/222285385.db2.gz PZTUGSIQOCZTCF-UHFFFAOYSA-N 2 2 300.410 1.975 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529475 418721450 /nfs/dbraw/zinc/72/14/50/418721450.db2.gz BQUSOENZCPPVIC-GOEBONIOSA-N 2 2 306.454 1.112 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529475 418721451 /nfs/dbraw/zinc/72/14/51/418721451.db2.gz BQUSOENZCPPVIC-GOEBONIOSA-N 2 2 306.454 1.112 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369599386 418735426 /nfs/dbraw/zinc/73/54/26/418735426.db2.gz CYKALFJZYUANSG-PMPSAXMXSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369599386 418735428 /nfs/dbraw/zinc/73/54/28/418735428.db2.gz CYKALFJZYUANSG-PMPSAXMXSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599386 418735431 /nfs/dbraw/zinc/73/54/31/418735431.db2.gz CYKALFJZYUANSG-PMPSAXMXSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599386 418735432 /nfs/dbraw/zinc/73/54/32/418735432.db2.gz CYKALFJZYUANSG-PMPSAXMXSA-N 2 2 304.438 1.165 20 30 DDEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000489445329 421155542 /nfs/dbraw/zinc/15/55/42/421155542.db2.gz GKXGCXQHBBGTKJ-INIZCTEOSA-N 2 2 317.433 1.964 20 30 DDEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000489445329 421155545 /nfs/dbraw/zinc/15/55/45/421155545.db2.gz GKXGCXQHBBGTKJ-INIZCTEOSA-N 2 2 317.433 1.964 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673869 424744979 /nfs/dbraw/zinc/74/49/79/424744979.db2.gz JDLKBVKXPXIQHE-OAHLLOKOSA-N 2 2 301.434 1.931 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000530232639 268299035 /nfs/dbraw/zinc/29/90/35/268299035.db2.gz AUBPVCZCXFFRCI-KGLIPLIRSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000530232639 268299037 /nfs/dbraw/zinc/29/90/37/268299037.db2.gz AUBPVCZCXFFRCI-KGLIPLIRSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000573956948 304624743 /nfs/dbraw/zinc/62/47/43/304624743.db2.gz MLXWXHFMMKMSHM-LSDHHAIUSA-N 2 2 312.373 1.099 20 30 DDEDLP C[NH+](C)[C@H](CNC[C@@H](O)C[N@H+](C)CCC#N)C1CCCCC1 ZINC000562986425 333012964 /nfs/dbraw/zinc/01/29/64/333012964.db2.gz YEYNKSDHYLSDQJ-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP C[NH+](C)[C@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)C1CCCCC1 ZINC000562986425 333012966 /nfs/dbraw/zinc/01/29/66/333012966.db2.gz YEYNKSDHYLSDQJ-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP C=C(CC)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000358496778 336632490 /nfs/dbraw/zinc/63/24/90/336632490.db2.gz WLBDGJLJHJFXBV-UHFFFAOYSA-N 2 2 317.437 1.401 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000081095135 341279601 /nfs/dbraw/zinc/27/96/01/341279601.db2.gz RPEGAIMQTABRKI-KMFMINBZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000081095135 341279602 /nfs/dbraw/zinc/27/96/02/341279602.db2.gz RPEGAIMQTABRKI-KMFMINBZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000081095135 341279603 /nfs/dbraw/zinc/27/96/03/341279603.db2.gz RPEGAIMQTABRKI-KMFMINBZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000081095135 341279604 /nfs/dbraw/zinc/27/96/04/341279604.db2.gz RPEGAIMQTABRKI-KMFMINBZSA-N 2 2 306.454 1.457 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000361682835 484524117 /nfs/dbraw/zinc/52/41/17/484524117.db2.gz RTYVGCUAIMAEPZ-CQSZACIVSA-N 2 2 302.422 1.957 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000491553556 526948138 /nfs/dbraw/zinc/94/81/38/526948138.db2.gz AUFMXDSSCGQHFI-INIZCTEOSA-N 2 2 324.428 1.328 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000491553556 526948142 /nfs/dbraw/zinc/94/81/42/526948142.db2.gz AUFMXDSSCGQHFI-INIZCTEOSA-N 2 2 324.428 1.328 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000490924690 526950714 /nfs/dbraw/zinc/95/07/14/526950714.db2.gz RCOPDGBVSOXAHD-HNNXBMFYSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CCn1ccc(C[N@@H+](CCCn2cc[nH+]c2C)CCOC)n1 ZINC000491675258 527185889 /nfs/dbraw/zinc/18/58/89/527185889.db2.gz WYFBOBSBLSDNEL-UHFFFAOYSA-N 2 2 315.421 1.560 20 30 DDEDLP C#CCn1ccc(C[N@H+](CCCn2cc[nH+]c2C)CCOC)n1 ZINC000491675258 527185896 /nfs/dbraw/zinc/18/58/96/527185896.db2.gz WYFBOBSBLSDNEL-UHFFFAOYSA-N 2 2 315.421 1.560 20 30 DDEDLP C#C[C@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491465329 527319793 /nfs/dbraw/zinc/31/97/93/527319793.db2.gz WCHOZBFUTSPGIL-AWEZNQCLSA-N 2 2 306.454 1.208 20 30 DDEDLP C=C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339549047 527559401 /nfs/dbraw/zinc/55/94/01/527559401.db2.gz QGUMKOAITCVODA-LSVZVQIISA-N 2 2 306.454 1.513 20 30 DDEDLP C=C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339549047 527559407 /nfs/dbraw/zinc/55/94/07/527559407.db2.gz QGUMKOAITCVODA-LSVZVQIISA-N 2 2 306.454 1.513 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980225000 696712397 /nfs/dbraw/zinc/71/23/97/696712397.db2.gz BYQYOAVWMNGAJY-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980225000 696712399 /nfs/dbraw/zinc/71/23/99/696712399.db2.gz BYQYOAVWMNGAJY-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974614340 695696865 /nfs/dbraw/zinc/69/68/65/695696865.db2.gz GDNOHGWAJDXAIT-HNNXBMFYSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974614340 695696867 /nfs/dbraw/zinc/69/68/67/695696867.db2.gz GDNOHGWAJDXAIT-HNNXBMFYSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974695090 695713116 /nfs/dbraw/zinc/71/31/16/695713116.db2.gz VLPGIWQZJFETAF-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751202 695726200 /nfs/dbraw/zinc/72/62/00/695726200.db2.gz KBJCLUJFUIFAAE-ZFWWWQNUSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751202 695726205 /nfs/dbraw/zinc/72/62/05/695726205.db2.gz KBJCLUJFUIFAAE-ZFWWWQNUSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978361005 696370706 /nfs/dbraw/zinc/37/07/06/696370706.db2.gz NHHQHAJQCRNRJJ-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978361005 696370709 /nfs/dbraw/zinc/37/07/09/696370709.db2.gz NHHQHAJQCRNRJJ-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP [NH2+]=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)OCCCO2 ZINC000104152622 696618705 /nfs/dbraw/zinc/61/87/05/696618705.db2.gz DTOKHICBQQOEGO-UHFFFAOYSA-N 2 2 315.377 1.861 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629021 696849075 /nfs/dbraw/zinc/84/90/75/696849075.db2.gz BNQQNGPDRJZAPU-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629021 696849079 /nfs/dbraw/zinc/84/90/79/696849079.db2.gz BNQQNGPDRJZAPU-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483063 697107800 /nfs/dbraw/zinc/10/78/00/697107800.db2.gz DMAUTOJBMCNCKQ-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982736753 697174635 /nfs/dbraw/zinc/17/46/35/697174635.db2.gz VASXXERRJYJKBI-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982736753 697174636 /nfs/dbraw/zinc/17/46/36/697174636.db2.gz VASXXERRJYJKBI-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987071597 697984754 /nfs/dbraw/zinc/98/47/54/697984754.db2.gz XTLHSBPCODKUPT-CXAGYDPISA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987441342 698118109 /nfs/dbraw/zinc/11/81/09/698118109.db2.gz PSQIKELLZBSNFE-JSGCOSHPSA-N 2 2 310.829 1.684 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990026733 698904439 /nfs/dbraw/zinc/90/44/39/698904439.db2.gz PBZAAJWFYJPLDR-IIAWOOMASA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990026733 698904441 /nfs/dbraw/zinc/90/44/41/698904441.db2.gz PBZAAJWFYJPLDR-IIAWOOMASA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026733 698904444 /nfs/dbraw/zinc/90/44/44/698904444.db2.gz PBZAAJWFYJPLDR-IIAWOOMASA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026733 698904445 /nfs/dbraw/zinc/90/44/45/698904445.db2.gz PBZAAJWFYJPLDR-IIAWOOMASA-N 2 2 311.857 1.946 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990105728 698954973 /nfs/dbraw/zinc/95/49/73/698954973.db2.gz DLBAJSLLVQENCY-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990105728 698954974 /nfs/dbraw/zinc/95/49/74/698954974.db2.gz DLBAJSLLVQENCY-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990105728 698954975 /nfs/dbraw/zinc/95/49/75/698954975.db2.gz DLBAJSLLVQENCY-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990105728 698954976 /nfs/dbraw/zinc/95/49/76/698954976.db2.gz DLBAJSLLVQENCY-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789357807 699381430 /nfs/dbraw/zinc/38/14/30/699381430.db2.gz OWGINNBDOZUERC-UHFFFAOYSA-N 2 2 300.406 1.148 20 30 DDEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000820582740 704304573 /nfs/dbraw/zinc/30/45/73/704304573.db2.gz CHFPVJDDPKLHQE-KRWDZBQOSA-N 2 2 316.449 1.544 20 30 DDEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000820582740 704304577 /nfs/dbraw/zinc/30/45/77/704304577.db2.gz CHFPVJDDPKLHQE-KRWDZBQOSA-N 2 2 316.449 1.544 20 30 DDEDLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000855414504 704484283 /nfs/dbraw/zinc/48/42/83/704484283.db2.gz FJLFFTLQNDVGQW-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000855414504 704484284 /nfs/dbraw/zinc/48/42/84/704484284.db2.gz FJLFFTLQNDVGQW-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CCSCC1 ZINC000824955459 705566225 /nfs/dbraw/zinc/56/62/25/705566225.db2.gz BNNQLHIPTFKCRI-UHFFFAOYSA-N 2 2 312.483 1.023 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CCSCC1 ZINC000824955459 705566230 /nfs/dbraw/zinc/56/62/30/705566230.db2.gz BNNQLHIPTFKCRI-UHFFFAOYSA-N 2 2 312.483 1.023 20 30 DDEDLP C=CC[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000878302418 706352356 /nfs/dbraw/zinc/35/23/56/706352356.db2.gz MRHIAFNQYZFJMB-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CC[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000878302418 706352359 /nfs/dbraw/zinc/35/23/59/706352359.db2.gz MRHIAFNQYZFJMB-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000878869191 706520698 /nfs/dbraw/zinc/52/06/98/706520698.db2.gz XXJZBEQIQROIFL-QGZVFWFLSA-N 2 2 303.406 1.477 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000878869191 706520700 /nfs/dbraw/zinc/52/07/00/706520700.db2.gz XXJZBEQIQROIFL-QGZVFWFLSA-N 2 2 303.406 1.477 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900248678 709503945 /nfs/dbraw/zinc/50/39/45/709503945.db2.gz OGJPCUCGWAMUDG-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000928650725 713251300 /nfs/dbraw/zinc/25/13/00/713251300.db2.gz GXAJXESCBQDVHF-CYBMUJFWSA-N 2 2 300.406 1.037 20 30 DDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432598 714095697 /nfs/dbraw/zinc/09/56/97/714095697.db2.gz WSNCBYFXDKIZBL-CWRNSKLLSA-N 2 2 312.417 1.769 20 30 DDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432598 714095698 /nfs/dbraw/zinc/09/56/98/714095698.db2.gz WSNCBYFXDKIZBL-CWRNSKLLSA-N 2 2 312.417 1.769 20 30 DDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432598 714095699 /nfs/dbraw/zinc/09/56/99/714095699.db2.gz WSNCBYFXDKIZBL-CWRNSKLLSA-N 2 2 312.417 1.769 20 30 DDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432598 714095700 /nfs/dbraw/zinc/09/57/00/714095700.db2.gz WSNCBYFXDKIZBL-CWRNSKLLSA-N 2 2 312.417 1.769 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000964065312 717990638 /nfs/dbraw/zinc/99/06/38/717990638.db2.gz CIIOTGVVIKGADU-RWQKBRBCSA-N 2 2 312.417 1.096 20 30 DDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000933741196 714660335 /nfs/dbraw/zinc/66/03/35/714660335.db2.gz WRHXGTJHDMESKU-AYBZRNKSSA-N 2 2 324.428 1.547 20 30 DDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000933741196 714660338 /nfs/dbraw/zinc/66/03/38/714660338.db2.gz WRHXGTJHDMESKU-AYBZRNKSSA-N 2 2 324.428 1.547 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000933741196 714660340 /nfs/dbraw/zinc/66/03/40/714660340.db2.gz WRHXGTJHDMESKU-AYBZRNKSSA-N 2 2 324.428 1.547 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000933741196 714660343 /nfs/dbraw/zinc/66/03/43/714660343.db2.gz WRHXGTJHDMESKU-AYBZRNKSSA-N 2 2 324.428 1.547 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961062264 716784182 /nfs/dbraw/zinc/78/41/82/716784182.db2.gz RDPMROYUBSYVCQ-HALDLXJZSA-N 2 2 310.401 1.961 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000961062264 716784184 /nfs/dbraw/zinc/78/41/84/716784184.db2.gz RDPMROYUBSYVCQ-HALDLXJZSA-N 2 2 310.401 1.961 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961823162 717219839 /nfs/dbraw/zinc/21/98/39/717219839.db2.gz ICIMROCTLYUYLH-FAHYXWLWSA-N 2 2 300.406 1.146 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961823162 717219841 /nfs/dbraw/zinc/21/98/41/717219841.db2.gz ICIMROCTLYUYLH-FAHYXWLWSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489296 718565781 /nfs/dbraw/zinc/56/57/81/718565781.db2.gz JLBZUUUWMFRRFE-DZGCQCFKSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489296 718565784 /nfs/dbraw/zinc/56/57/84/718565784.db2.gz JLBZUUUWMFRRFE-DZGCQCFKSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946703799 718884956 /nfs/dbraw/zinc/88/49/56/718884956.db2.gz IHAYHYZSJSERJE-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946703799 718884960 /nfs/dbraw/zinc/88/49/60/718884960.db2.gz IHAYHYZSJSERJE-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188426 719451401 /nfs/dbraw/zinc/45/14/01/719451401.db2.gz BQHMNUZCPUSGIF-IUODEOHRSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188426 719451404 /nfs/dbraw/zinc/45/14/04/719451404.db2.gz BQHMNUZCPUSGIF-IUODEOHRSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969135902 719972673 /nfs/dbraw/zinc/97/26/73/719972673.db2.gz PQELMFWIPNXKEK-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000969135902 719972675 /nfs/dbraw/zinc/97/26/75/719972675.db2.gz PQELMFWIPNXKEK-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000950614612 720705600 /nfs/dbraw/zinc/70/56/00/720705600.db2.gz HGQKTLYDXYGREH-UHFFFAOYSA-N 2 2 303.450 1.418 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970324356 720710310 /nfs/dbraw/zinc/71/03/10/720710310.db2.gz WJKDGFJUPOMBJR-WMLDXEAASA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970324356 720710312 /nfs/dbraw/zinc/71/03/12/720710312.db2.gz WJKDGFJUPOMBJR-WMLDXEAASA-N 2 2 321.465 1.252 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857629 720959420 /nfs/dbraw/zinc/95/94/20/720959420.db2.gz GVFLYSBXDDOLLQ-MRXNPFEDSA-N 2 2 309.373 1.145 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972677937 735466867 /nfs/dbraw/zinc/46/68/67/735466867.db2.gz UBLXRXUPEKUTOC-QGZVFWFLSA-N 2 2 318.421 1.071 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972677937 735466868 /nfs/dbraw/zinc/46/68/68/735466868.db2.gz UBLXRXUPEKUTOC-QGZVFWFLSA-N 2 2 318.421 1.071 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689798 735475918 /nfs/dbraw/zinc/47/59/18/735475918.db2.gz ZWXFXSHTWRXAER-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689798 735475922 /nfs/dbraw/zinc/47/59/22/735475922.db2.gz ZWXFXSHTWRXAER-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689798 735475924 /nfs/dbraw/zinc/47/59/24/735475924.db2.gz ZWXFXSHTWRXAER-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000972689800 735476019 /nfs/dbraw/zinc/47/60/19/735476019.db2.gz ZWXFXSHTWRXAER-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689800 735476022 /nfs/dbraw/zinc/47/60/22/735476022.db2.gz ZWXFXSHTWRXAER-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689800 735476023 /nfs/dbraw/zinc/47/60/23/735476023.db2.gz ZWXFXSHTWRXAER-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350559 733572012 /nfs/dbraw/zinc/57/20/12/733572012.db2.gz IXOHFXUCILCLDQ-IKGGRYGDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039350559 733572015 /nfs/dbraw/zinc/57/20/15/733572015.db2.gz IXOHFXUCILCLDQ-IKGGRYGDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350559 733572017 /nfs/dbraw/zinc/57/20/17/733572017.db2.gz IXOHFXUCILCLDQ-IKGGRYGDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350559 733572020 /nfs/dbraw/zinc/57/20/20/733572020.db2.gz IXOHFXUCILCLDQ-IKGGRYGDSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352467 733660063 /nfs/dbraw/zinc/66/00/63/733660063.db2.gz XVLLLFFUTWZFKN-ZIAGYGMSSA-N 2 2 310.401 1.884 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883581 738769926 /nfs/dbraw/zinc/76/99/26/738769926.db2.gz PQVVJQSRYSJRRN-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883581 738769927 /nfs/dbraw/zinc/76/99/27/738769927.db2.gz PQVVJQSRYSJRRN-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212519 782411799 /nfs/dbraw/zinc/41/17/99/782411799.db2.gz NIBXFTYCIIQXOC-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212519 782411805 /nfs/dbraw/zinc/41/18/05/782411805.db2.gz NIBXFTYCIIQXOC-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022303046 734478365 /nfs/dbraw/zinc/47/83/65/734478365.db2.gz TUAWCXVZRNNIFF-UPJWGTAASA-N 2 2 308.813 1.435 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512088 735887754 /nfs/dbraw/zinc/88/77/54/735887754.db2.gz RFHCPZYIQFKTPA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP 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ZINC001054260192 759360584 /nfs/dbraw/zinc/36/05/84/759360584.db2.gz FHSPNFGIQKNMOJ-KRWDZBQOSA-N 2 2 315.417 1.135 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639722 759913016 /nfs/dbraw/zinc/91/30/16/759913016.db2.gz UVMZUEIULGCWKL-SJORKVTESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639722 759913021 /nfs/dbraw/zinc/91/30/21/759913021.db2.gz UVMZUEIULGCWKL-SJORKVTESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639722 759913024 /nfs/dbraw/zinc/91/30/24/759913024.db2.gz UVMZUEIULGCWKL-SJORKVTESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639722 759913028 /nfs/dbraw/zinc/91/30/28/759913028.db2.gz UVMZUEIULGCWKL-SJORKVTESA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108216195 760411986 /nfs/dbraw/zinc/41/19/86/760411986.db2.gz 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CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038699155 761299437 /nfs/dbraw/zinc/29/94/37/761299437.db2.gz INADGXWTWBIAAI-SFHVURJKSA-N 2 2 313.445 1.618 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038699155 761299439 /nfs/dbraw/zinc/29/94/39/761299439.db2.gz INADGXWTWBIAAI-SFHVURJKSA-N 2 2 313.445 1.618 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392289 761534270 /nfs/dbraw/zinc/53/42/70/761534270.db2.gz GMBYZYFEWGRANB-FDYHWXHSSA-N 2 2 308.813 1.750 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156443 761783436 /nfs/dbraw/zinc/78/34/36/761783436.db2.gz OABOISVNVYICDL-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001039156443 761783441 /nfs/dbraw/zinc/78/34/41/761783441.db2.gz OABOISVNVYICDL-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041343201 762968554 /nfs/dbraw/zinc/96/85/54/762968554.db2.gz JGPLSTLGKWPNLW-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041343201 762968563 /nfs/dbraw/zinc/96/85/63/762968563.db2.gz JGPLSTLGKWPNLW-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041343201 762968570 /nfs/dbraw/zinc/96/85/70/762968570.db2.gz JGPLSTLGKWPNLW-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041343201 762968578 /nfs/dbraw/zinc/96/85/78/762968578.db2.gz JGPLSTLGKWPNLW-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001050191005 763294769 /nfs/dbraw/zinc/29/47/69/763294769.db2.gz ALQXPDCVKLVRHD-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001050191005 763294776 /nfs/dbraw/zinc/29/47/76/763294776.db2.gz ALQXPDCVKLVRHD-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786385 763326684 /nfs/dbraw/zinc/32/66/84/763326684.db2.gz FZBXPWCLUAQVQA-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786385 763326691 /nfs/dbraw/zinc/32/66/91/763326691.db2.gz FZBXPWCLUAQVQA-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161927 763726343 /nfs/dbraw/zinc/72/63/43/763726343.db2.gz DIOHZOVJAHPNRA-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161927 763726350 /nfs/dbraw/zinc/72/63/50/763726350.db2.gz DIOHZOVJAHPNRA-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684374 763917366 /nfs/dbraw/zinc/91/73/66/763917366.db2.gz KICVZLZOQWMZLY-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570479 764412312 /nfs/dbraw/zinc/41/23/12/764412312.db2.gz ZGXGMKQGQTUEAO-YJBOKZPZSA-N 2 2 314.433 1.502 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001113037211 765174354 /nfs/dbraw/zinc/17/43/54/765174354.db2.gz AWHMOGVCIMOULE-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086579335 765290713 /nfs/dbraw/zinc/29/07/13/765290713.db2.gz XRCZLXRDNFBSAY-RCCFBDPRSA-N 2 2 313.445 1.851 20 30 DDEDLP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086579335 765290717 /nfs/dbraw/zinc/29/07/17/765290717.db2.gz XRCZLXRDNFBSAY-RCCFBDPRSA-N 2 2 313.445 1.851 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579335 765290723 /nfs/dbraw/zinc/29/07/23/765290723.db2.gz XRCZLXRDNFBSAY-RCCFBDPRSA-N 2 2 313.445 1.851 20 30 DDEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086579335 765290728 /nfs/dbraw/zinc/29/07/28/765290728.db2.gz XRCZLXRDNFBSAY-RCCFBDPRSA-N 2 2 313.445 1.851 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507028 765900514 /nfs/dbraw/zinc/90/05/14/765900514.db2.gz QGKPKWFUTQHAFW-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507028 765900520 /nfs/dbraw/zinc/90/05/20/765900520.db2.gz QGKPKWFUTQHAFW-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507028 765900526 /nfs/dbraw/zinc/90/05/26/765900526.db2.gz QGKPKWFUTQHAFW-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507028 765900532 /nfs/dbraw/zinc/90/05/32/765900532.db2.gz QGKPKWFUTQHAFW-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045486789 766343743 /nfs/dbraw/zinc/34/37/43/766343743.db2.gz OZHRFHKOBCEYNX-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434254 767559806 /nfs/dbraw/zinc/55/98/06/767559806.db2.gz KTCXCXZNAJJYMK-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434254 767559810 /nfs/dbraw/zinc/55/98/10/767559810.db2.gz KTCXCXZNAJJYMK-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132999222 769394407 /nfs/dbraw/zinc/39/44/07/769394407.db2.gz ZJUUXLSFCNKKBN-CVEARBPZSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133020377 769409841 /nfs/dbraw/zinc/40/98/41/769409841.db2.gz DMBUPQPTZITMDE-CVEARBPZSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134670 769519711 /nfs/dbraw/zinc/51/97/11/769519711.db2.gz GANVKADIIAONLG-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289303 769668324 /nfs/dbraw/zinc/66/83/24/769668324.db2.gz SMGGUYYHTNHSGN-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628691 769745190 /nfs/dbraw/zinc/74/51/90/769745190.db2.gz SDNPEKWDCJPTNC-UONOGXRCSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628691 769745198 /nfs/dbraw/zinc/74/51/98/769745198.db2.gz SDNPEKWDCJPTNC-UONOGXRCSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693387 769891368 /nfs/dbraw/zinc/89/13/68/769891368.db2.gz QGXAKFFJQYOQIF-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693387 769891380 /nfs/dbraw/zinc/89/13/80/769891380.db2.gz QGXAKFFJQYOQIF-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519920 770968914 /nfs/dbraw/zinc/96/89/14/770968914.db2.gz VEMSYKOFYUOXDE-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519920 770968922 /nfs/dbraw/zinc/96/89/22/770968922.db2.gz VEMSYKOFYUOXDE-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519920 770968931 /nfs/dbraw/zinc/96/89/31/770968931.db2.gz VEMSYKOFYUOXDE-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519920 770968938 /nfs/dbraw/zinc/96/89/38/770968938.db2.gz VEMSYKOFYUOXDE-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626852 771030647 /nfs/dbraw/zinc/03/06/47/771030647.db2.gz UBUNMLQIPPUCRU-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626852 771030654 /nfs/dbraw/zinc/03/06/54/771030654.db2.gz UBUNMLQIPPUCRU-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488163 771384903 /nfs/dbraw/zinc/38/49/03/771384903.db2.gz IVVPVPADHBNJQT-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488163 771384905 /nfs/dbraw/zinc/38/49/05/771384905.db2.gz IVVPVPADHBNJQT-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725895 773494631 /nfs/dbraw/zinc/49/46/31/773494631.db2.gz RGCIEUNGRYWNBY-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725895 773494634 /nfs/dbraw/zinc/49/46/34/773494634.db2.gz RGCIEUNGRYWNBY-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725895 773494637 /nfs/dbraw/zinc/49/46/37/773494637.db2.gz RGCIEUNGRYWNBY-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725895 773494641 /nfs/dbraw/zinc/49/46/41/773494641.db2.gz 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C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747338 774247576 /nfs/dbraw/zinc/24/75/76/774247576.db2.gz CNBJXRREYNCNHU-RBSFLKMASA-N 2 2 302.422 1.316 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785513 774611751 /nfs/dbraw/zinc/61/17/51/774611751.db2.gz GTYMEAIFXPIANI-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785513 774611755 /nfs/dbraw/zinc/61/17/55/774611755.db2.gz GTYMEAIFXPIANI-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033628 774785581 /nfs/dbraw/zinc/78/55/81/774785581.db2.gz IBERSOBFKOWNCD-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099033628 774785584 /nfs/dbraw/zinc/78/55/84/774785584.db2.gz IBERSOBFKOWNCD-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595789 776361540 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304.438 1.613 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540080 778193707 /nfs/dbraw/zinc/19/37/07/778193707.db2.gz CKCFONPHCVWZDA-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473871 778884610 /nfs/dbraw/zinc/88/46/10/778884610.db2.gz XMXYDDUJUABDGE-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473871 778884618 /nfs/dbraw/zinc/88/46/18/778884618.db2.gz XMXYDDUJUABDGE-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP COCC#CC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345420 778991384 /nfs/dbraw/zinc/99/13/84/778991384.db2.gz JEAFGWDFIAEAJE-UHFFFAOYSA-N 2 2 320.437 1.258 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752686 780401624 /nfs/dbraw/zinc/40/16/24/780401624.db2.gz ONAMMLWDGNEAQH-HNNXBMFYSA-N 2 2 302.422 1.876 20 30 DDEDLP C=CCOCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248697 781834842 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DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001272226581 844779935 /nfs/dbraw/zinc/77/99/35/844779935.db2.gz SDHVZNCYWYQROW-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001272226581 844779940 /nfs/dbraw/zinc/77/99/40/844779940.db2.gz SDHVZNCYWYQROW-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001272504462 846233226 /nfs/dbraw/zinc/23/32/26/846233226.db2.gz ZRGOYNPVVUPKGU-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001272690712 846630215 /nfs/dbraw/zinc/63/02/15/846630215.db2.gz CQTDGQGFSKIVND-AWEZNQCLSA-N 2 2 310.401 1.943 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274415 848221636 /nfs/dbraw/zinc/22/16/36/848221636.db2.gz CTIDMWRDFJDIBQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274415 848221647 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DDEDLP C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273905094 851487777 /nfs/dbraw/zinc/48/77/77/851487777.db2.gz PVQMPEYWFLLALF-KRWDZBQOSA-N 2 2 314.389 1.001 20 30 DDEDLP C#CCN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273905094 851487785 /nfs/dbraw/zinc/48/77/85/851487785.db2.gz PVQMPEYWFLLALF-KRWDZBQOSA-N 2 2 314.389 1.001 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073044782 858041410 /nfs/dbraw/zinc/04/14/10/858041410.db2.gz DYWCHPKPJJWMDF-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073044782 858041422 /nfs/dbraw/zinc/04/14/22/858041422.db2.gz DYWCHPKPJJWMDF-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073044782 858041433 /nfs/dbraw/zinc/04/14/33/858041433.db2.gz DYWCHPKPJJWMDF-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073044782 858041439 /nfs/dbraw/zinc/04/14/39/858041439.db2.gz DYWCHPKPJJWMDF-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)c(C#N)cc2C#N)CC1 ZINC001157915200 864254167 /nfs/dbraw/zinc/25/41/67/864254167.db2.gz KWPMTHCUYTYQGD-UHFFFAOYSA-N 2 2 303.757 1.072 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225435916 881832765 /nfs/dbraw/zinc/83/27/65/881832765.db2.gz PUXWFSVNHTUINP-UHFFFAOYSA-N 2 2 310.829 1.772 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508486 865889094 /nfs/dbraw/zinc/88/90/94/865889094.db2.gz HMYGXRPIQDZUGO-CQSZACIVSA-N 2 2 309.776 1.581 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001332993561 866320961 /nfs/dbraw/zinc/32/09/61/866320961.db2.gz XQCVJGNNWBNNHL-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccsc1 ZINC001320009933 866427779 /nfs/dbraw/zinc/42/77/79/866427779.db2.gz YFYNFQGMKYCKGS-INIZCTEOSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001320009933 866427782 /nfs/dbraw/zinc/42/77/82/866427782.db2.gz YFYNFQGMKYCKGS-INIZCTEOSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccsc1 ZINC001320009933 866427789 /nfs/dbraw/zinc/42/77/89/866427789.db2.gz YFYNFQGMKYCKGS-INIZCTEOSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccsc1 ZINC001320009933 866427794 /nfs/dbraw/zinc/42/77/94/866427794.db2.gz YFYNFQGMKYCKGS-INIZCTEOSA-N 2 2 319.474 1.736 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161324040 866531394 /nfs/dbraw/zinc/53/13/94/866531394.db2.gz SHYCBBFUNHLKLI-AWEZNQCLSA-N 2 2 304.438 1.885 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161324040 866531407 /nfs/dbraw/zinc/53/14/07/866531407.db2.gz SHYCBBFUNHLKLI-AWEZNQCLSA-N 2 2 304.438 1.885 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001323339867 866547361 /nfs/dbraw/zinc/54/73/61/866547361.db2.gz VPKXYKCWDYGSLL-AWEZNQCLSA-N 2 2 315.421 1.237 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001323339867 866547380 /nfs/dbraw/zinc/54/73/80/866547380.db2.gz VPKXYKCWDYGSLL-AWEZNQCLSA-N 2 2 315.421 1.237 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356171 866583492 /nfs/dbraw/zinc/58/34/92/866583492.db2.gz DPYHMHONBFMOQP-INIZCTEOSA-N 2 2 314.433 1.996 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356171 866583504 /nfs/dbraw/zinc/58/35/04/866583504.db2.gz DPYHMHONBFMOQP-INIZCTEOSA-N 2 2 314.433 1.996 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001333456926 866763605 /nfs/dbraw/zinc/76/36/05/866763605.db2.gz GIZBHPLZTKHMLQ-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001333456926 866763622 /nfs/dbraw/zinc/76/36/22/866763622.db2.gz GIZBHPLZTKHMLQ-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320780761 867023166 /nfs/dbraw/zinc/02/31/66/867023166.db2.gz YPNUHVHAJPWWQD-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001324483027 867304593 /nfs/dbraw/zinc/30/45/93/867304593.db2.gz PTLSZACECHCKPQ-CVEARBPZSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164492215 869232131 /nfs/dbraw/zinc/23/21/31/869232131.db2.gz XROKICRTBXFMAG-INIZCTEOSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164492215 869232140 /nfs/dbraw/zinc/23/21/40/869232140.db2.gz XROKICRTBXFMAG-INIZCTEOSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001276439703 870928218 /nfs/dbraw/zinc/92/82/18/870928218.db2.gz JBLIAFSUHRETCR-ZIAGYGMSSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001276439703 870928227 /nfs/dbraw/zinc/92/82/27/870928227.db2.gz JBLIAFSUHRETCR-ZIAGYGMSSA-N 2 2 304.438 1.991 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738983 871311324 /nfs/dbraw/zinc/31/13/24/871311324.db2.gz XVYNYSOJZYYSNF-CWRNSKLLSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738983 871311341 /nfs/dbraw/zinc/31/13/41/871311341.db2.gz XVYNYSOJZYYSNF-CWRNSKLLSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738983 871311359 /nfs/dbraw/zinc/31/13/59/871311359.db2.gz XVYNYSOJZYYSNF-CWRNSKLLSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738983 871311379 /nfs/dbraw/zinc/31/13/79/871311379.db2.gz XVYNYSOJZYYSNF-CWRNSKLLSA-N 2 2 302.422 1.581 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001205023552 871330514 /nfs/dbraw/zinc/33/05/14/871330514.db2.gz QTUWFAGRYIIJNC-UHFFFAOYSA-N 2 2 303.454 1.212 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787189 871501442 /nfs/dbraw/zinc/50/14/42/871501442.db2.gz DCOIXAZPLRJHEI-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787189 871501455 /nfs/dbraw/zinc/50/14/55/871501455.db2.gz DCOIXAZPLRJHEI-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317796193 871515988 /nfs/dbraw/zinc/51/59/88/871515988.db2.gz UBZDKIFAILUWKA-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317796193 871516001 /nfs/dbraw/zinc/51/60/01/871516001.db2.gz UBZDKIFAILUWKA-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001316874778 872188608 /nfs/dbraw/zinc/18/86/08/872188608.db2.gz DCWVNEXNDFJUFY-HZPDHXFCSA-N 2 2 316.449 1.735 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208451057 874153540 /nfs/dbraw/zinc/15/35/40/874153540.db2.gz QLLHRLBZIKFLDD-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451174 874155688 /nfs/dbraw/zinc/15/56/88/874155688.db2.gz SIDROZIQCBYIPT-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451174 874155694 /nfs/dbraw/zinc/15/56/94/874155694.db2.gz SIDROZIQCBYIPT-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001378575692 875159058 /nfs/dbraw/zinc/15/90/58/875159058.db2.gz WZDNRQMJCOYONJ-SNVBAGLBSA-N 2 2 314.817 1.444 20 30 DDEDLP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001220185839 878797181 /nfs/dbraw/zinc/79/71/81/878797181.db2.gz JSPSAUYSXOZFIH-UONOGXRCSA-N 2 2 322.359 1.309 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095502 879494070 /nfs/dbraw/zinc/49/40/70/879494070.db2.gz GFUNMYQRZHYACK-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095502 879494076 /nfs/dbraw/zinc/49/40/76/879494076.db2.gz GFUNMYQRZHYACK-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C#CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001277435749 884255871 /nfs/dbraw/zinc/25/58/71/884255871.db2.gz UXSIYFRUUNGBAB-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001277435749 884255886 /nfs/dbraw/zinc/25/58/86/884255886.db2.gz UXSIYFRUUNGBAB-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001277575901 885902535 /nfs/dbraw/zinc/90/25/35/885902535.db2.gz BBKMLFBDPXPZGW-NVXWUHKLSA-N 2 2 316.449 1.589 20 30 DDEDLP CC(=O)[C@H](C)[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888389 888199184 /nfs/dbraw/zinc/19/91/84/888199184.db2.gz IUKGIPDTBZTXJB-AWEZNQCLSA-N 2 2 314.433 1.772 20 30 DDEDLP N#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277936279 888543756 /nfs/dbraw/zinc/54/37/56/888543756.db2.gz DKZPPPLZCVSVIV-MRXNPFEDSA-N 2 2 316.449 1.309 20 30 DDEDLP N#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277936279 888543764 /nfs/dbraw/zinc/54/37/64/888543764.db2.gz DKZPPPLZCVSVIV-MRXNPFEDSA-N 2 2 316.449 1.309 20 30 DDEDLP N#CCCC[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001277945123 888640993 /nfs/dbraw/zinc/64/09/93/888640993.db2.gz NHVIRMPFXWQFLR-KRWDZBQOSA-N 2 2 317.437 1.354 20 30 DDEDLP N#CCCC[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001277945123 888640997 /nfs/dbraw/zinc/64/09/97/888640997.db2.gz NHVIRMPFXWQFLR-KRWDZBQOSA-N 2 2 317.437 1.354 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246944972 893008270 /nfs/dbraw/zinc/00/82/70/893008270.db2.gz DMDOGZMMWFXCRT-QZTJIDSGSA-N 3 2 306.498 1.419 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278511879 893795139 /nfs/dbraw/zinc/79/51/39/893795139.db2.gz LVXSAUOXDVAGAN-CRAIPNDOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C[C@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253564446 895896765 /nfs/dbraw/zinc/89/67/65/895896765.db2.gz FOUNZZPHVQWAFW-INIZCTEOSA-N 2 2 306.406 1.034 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001264666105 901262873 /nfs/dbraw/zinc/26/28/73/901262873.db2.gz DQVSBOCLTMLNCU-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001264666105 901262878 /nfs/dbraw/zinc/26/28/78/901262878.db2.gz DQVSBOCLTMLNCU-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001264666105 901262889 /nfs/dbraw/zinc/26/28/89/901262889.db2.gz DQVSBOCLTMLNCU-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001264666105 901262902 /nfs/dbraw/zinc/26/29/02/901262902.db2.gz DQVSBOCLTMLNCU-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167463 901657153 /nfs/dbraw/zinc/65/71/53/901657153.db2.gz PNSCNWOYIUOOHY-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167463 901657162 /nfs/dbraw/zinc/65/71/62/901657162.db2.gz PNSCNWOYIUOOHY-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598568 903405656 /nfs/dbraw/zinc/40/56/56/903405656.db2.gz CHNZGDYOAUCVPZ-MRXNPFEDSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598568 903405669 /nfs/dbraw/zinc/40/56/69/903405669.db2.gz CHNZGDYOAUCVPZ-MRXNPFEDSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001316598568 903405682 /nfs/dbraw/zinc/40/56/82/903405682.db2.gz CHNZGDYOAUCVPZ-MRXNPFEDSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001316598568 903405692 /nfs/dbraw/zinc/40/56/92/903405692.db2.gz CHNZGDYOAUCVPZ-MRXNPFEDSA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001280128423 903523051 /nfs/dbraw/zinc/52/30/51/903523051.db2.gz QFXSYAKIKAYBDU-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393236767 906524873 /nfs/dbraw/zinc/52/48/73/906524873.db2.gz XGHARRRSUBIKPW-GFCCVEGCSA-N 2 2 323.815 1.764 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393236767 906524887 /nfs/dbraw/zinc/52/48/87/906524887.db2.gz XGHARRRSUBIKPW-GFCCVEGCSA-N 2 2 323.815 1.764 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283202766 906876320 /nfs/dbraw/zinc/87/63/20/906876320.db2.gz LNFUGFCMAYNRPX-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284025366 908335283 /nfs/dbraw/zinc/33/52/83/908335283.db2.gz JINXTEZZHQXVRA-HUUCEWRRSA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001394699849 910331142 /nfs/dbraw/zinc/33/11/42/910331142.db2.gz FOKJEMRMFBNLFI-UONOGXRCSA-N 2 2 324.856 1.980 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001373673062 910576203 /nfs/dbraw/zinc/57/62/03/910576203.db2.gz NOCKSNQPZUOCOG-KBPBESRZSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001373673062 910576213 /nfs/dbraw/zinc/57/62/13/910576213.db2.gz NOCKSNQPZUOCOG-KBPBESRZSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001375238491 915349628 /nfs/dbraw/zinc/34/96/28/915349628.db2.gz FVBODSBTVQCNIW-UONOGXRCSA-N 2 2 322.840 1.682 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332905478 539313984 /nfs/dbraw/zinc/31/39/84/539313984.db2.gz SFFCWYGMSHDXPC-ZBFHGGJFSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332905478 539313986 /nfs/dbraw/zinc/31/39/86/539313986.db2.gz SFFCWYGMSHDXPC-ZBFHGGJFSA-N 2 2 321.469 1.346 20 30 DDEDLP C[N@H+](CCC#N)C[C@@H](O)CNC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000581007785 354729607 /nfs/dbraw/zinc/72/96/07/354729607.db2.gz ZAEZSCLYLWXPMD-ROUUACIJSA-N 2 2 322.497 1.579 20 30 DDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000581007785 354729609 /nfs/dbraw/zinc/72/96/09/354729609.db2.gz ZAEZSCLYLWXPMD-ROUUACIJSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581007785 354729610 /nfs/dbraw/zinc/72/96/10/354729610.db2.gz ZAEZSCLYLWXPMD-ROUUACIJSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000581007785 354729612 /nfs/dbraw/zinc/72/96/12/354729612.db2.gz ZAEZSCLYLWXPMD-ROUUACIJSA-N 2 2 322.497 1.579 20 30 DDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598615532 357654328 /nfs/dbraw/zinc/65/43/28/357654328.db2.gz CNWKFOQMDHTEIR-ZBFHGGJFSA-N 2 2 309.454 1.472 20 30 DDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598615532 357654332 /nfs/dbraw/zinc/65/43/32/357654332.db2.gz CNWKFOQMDHTEIR-ZBFHGGJFSA-N 2 2 309.454 1.472 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329781155 223028024 /nfs/dbraw/zinc/02/80/24/223028024.db2.gz SLZLLWLYXUQPMK-IUODEOHRSA-N 2 2 317.437 1.986 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329781155 223028026 /nfs/dbraw/zinc/02/80/26/223028026.db2.gz SLZLLWLYXUQPMK-IUODEOHRSA-N 2 2 317.437 1.986 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000599011073 357793220 /nfs/dbraw/zinc/79/32/20/357793220.db2.gz XQUCUIYFIHEIOL-MRXNPFEDSA-N 2 2 303.406 1.525 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000599011073 357793223 /nfs/dbraw/zinc/79/32/23/357793223.db2.gz XQUCUIYFIHEIOL-MRXNPFEDSA-N 2 2 303.406 1.525 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000599020123 357796663 /nfs/dbraw/zinc/79/66/63/357796663.db2.gz XQUCUIYFIHEIOL-INIZCTEOSA-N 2 2 303.406 1.525 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000599020123 357796667 /nfs/dbraw/zinc/79/66/67/357796667.db2.gz XQUCUIYFIHEIOL-INIZCTEOSA-N 2 2 303.406 1.525 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000599480773 357952117 /nfs/dbraw/zinc/95/21/17/357952117.db2.gz FSRFGKSACJJBCV-UHFFFAOYSA-N 2 2 308.470 1.801 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000599480773 357952118 /nfs/dbraw/zinc/95/21/18/357952118.db2.gz FSRFGKSACJJBCV-UHFFFAOYSA-N 2 2 308.470 1.801 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000329793132 223030036 /nfs/dbraw/zinc/03/00/36/223030036.db2.gz AUBISPXRYRTVFG-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000329793132 223030038 /nfs/dbraw/zinc/03/00/38/223030038.db2.gz AUBISPXRYRTVFG-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329793132 223030040 /nfs/dbraw/zinc/03/00/40/223030040.db2.gz AUBISPXRYRTVFG-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329793132 223030043 /nfs/dbraw/zinc/03/00/43/223030043.db2.gz AUBISPXRYRTVFG-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000329805149 223031557 /nfs/dbraw/zinc/03/15/57/223031557.db2.gz AKVXFEIRAPEVFO-CQSZACIVSA-N 2 2 305.426 1.733 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000093133319 193205955 /nfs/dbraw/zinc/20/59/55/193205955.db2.gz RECIZOQZSXJJQN-HNNXBMFYSA-N 2 2 304.463 1.832 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000093133319 193205956 /nfs/dbraw/zinc/20/59/56/193205956.db2.gz RECIZOQZSXJJQN-HNNXBMFYSA-N 2 2 304.463 1.832 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917247 209323517 /nfs/dbraw/zinc/32/35/17/209323517.db2.gz ZBRALFITVRIQCN-XJKSGUPXSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917247 209323521 /nfs/dbraw/zinc/32/35/21/209323521.db2.gz ZBRALFITVRIQCN-XJKSGUPXSA-N 2 2 300.406 1.549 20 30 DDEDLP Cc1nsc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)c1C#N ZINC000289492269 221015596 /nfs/dbraw/zinc/01/55/96/221015596.db2.gz PDSJOUXQSQGJRF-UHFFFAOYSA-N 2 2 316.434 1.650 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000569094980 304336333 /nfs/dbraw/zinc/33/63/33/304336333.db2.gz HSCLBPJHBZATMW-KRWDZBQOSA-N 2 2 311.385 1.834 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173641392 407890845 /nfs/dbraw/zinc/89/08/45/407890845.db2.gz CPQHPGHLPCOXNV-HNNXBMFYSA-N 2 2 311.470 1.500 20 30 DDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643154 163263557 /nfs/dbraw/zinc/26/35/57/163263557.db2.gz JYACJDORDNIIMB-HZSPNIEDSA-N 2 2 316.430 1.218 20 30 DDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643154 163263560 /nfs/dbraw/zinc/26/35/60/163263560.db2.gz JYACJDORDNIIMB-HZSPNIEDSA-N 2 2 316.430 1.218 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643154 163263562 /nfs/dbraw/zinc/26/35/62/163263562.db2.gz JYACJDORDNIIMB-HZSPNIEDSA-N 2 2 316.430 1.218 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643154 163263565 /nfs/dbraw/zinc/26/35/65/163263565.db2.gz JYACJDORDNIIMB-HZSPNIEDSA-N 2 2 316.430 1.218 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000328963184 410022709 /nfs/dbraw/zinc/02/27/09/410022709.db2.gz RESDNPOYKOMQHF-KBPBESRZSA-N 2 2 303.410 1.107 20 30 DDEDLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329484342 410323860 /nfs/dbraw/zinc/32/38/60/410323860.db2.gz FMYLVCCHDJHBJP-CQSZACIVSA-N 2 2 324.469 1.251 20 30 DDEDLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000329484342 410323867 /nfs/dbraw/zinc/32/38/67/410323867.db2.gz FMYLVCCHDJHBJP-CQSZACIVSA-N 2 2 324.469 1.251 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329649570 410397968 /nfs/dbraw/zinc/39/79/68/410397968.db2.gz FIXZVQVTNXEWKM-KGLIPLIRSA-N 2 2 317.437 1.741 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329649570 410397974 /nfs/dbraw/zinc/39/79/74/410397974.db2.gz FIXZVQVTNXEWKM-KGLIPLIRSA-N 2 2 317.437 1.741 20 30 DDEDLP Cc1oc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1C ZINC000330597874 410811853 /nfs/dbraw/zinc/81/18/53/410811853.db2.gz FDTILQIYGTXAHO-UHFFFAOYSA-N 2 2 318.421 1.980 20 30 DDEDLP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)CC1 ZINC000341048159 410879921 /nfs/dbraw/zinc/87/99/21/410879921.db2.gz PAFXXGYLIWYWBS-KRWDZBQOSA-N 2 2 317.481 1.920 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261833160 222259321 /nfs/dbraw/zinc/25/93/21/222259321.db2.gz RJCQBPMRULIZKG-OLZOCXBDSA-N 2 2 314.499 1.014 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264138939 222325609 /nfs/dbraw/zinc/32/56/09/222325609.db2.gz VUYHQBUFIZDCLB-CYBMUJFWSA-N 2 2 306.410 1.397 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264234582 222329519 /nfs/dbraw/zinc/32/95/19/222329519.db2.gz DBCSDMKCHSJNSC-AWEZNQCLSA-N 3 2 304.442 1.108 20 30 DDEDLP CC1(C)C[N@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000262309600 222275210 /nfs/dbraw/zinc/27/52/10/222275210.db2.gz SHSXRJHNJKGQHH-UHFFFAOYSA-N 2 2 312.364 1.802 20 30 DDEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000262309600 222275214 /nfs/dbraw/zinc/27/52/14/222275214.db2.gz SHSXRJHNJKGQHH-UHFFFAOYSA-N 2 2 312.364 1.802 20 30 DDEDLP C[C@@H]1CN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000262435492 222280241 /nfs/dbraw/zinc/28/02/41/222280241.db2.gz GEFDJAGSIUOWEL-OAHLLOKOSA-N 2 2 324.469 1.057 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262459817 222282344 /nfs/dbraw/zinc/28/23/44/222282344.db2.gz MCIIHJGHXLXKJH-GFCCVEGCSA-N 2 2 301.394 1.380 20 30 DDEDLP C=CCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264077146 222313943 /nfs/dbraw/zinc/31/39/43/222313943.db2.gz GBNIQMAMEPXPLV-UHFFFAOYSA-N 2 2 305.401 1.038 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378298597 418720683 /nfs/dbraw/zinc/72/06/83/418720683.db2.gz HDAHYBDFKOJTDM-OAHLLOKOSA-N 2 2 320.481 1.943 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378298597 418720685 /nfs/dbraw/zinc/72/06/85/418720685.db2.gz HDAHYBDFKOJTDM-OAHLLOKOSA-N 2 2 320.481 1.943 20 30 DDEDLP CN(Cc1cc(C#N)n(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368052025 418680035 /nfs/dbraw/zinc/68/00/35/418680035.db2.gz SDOCGEBJGZYBSP-KRWDZBQOSA-N 2 2 315.465 1.497 20 30 DDEDLP CN(Cc1cc(C#N)n(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368052025 418680037 /nfs/dbraw/zinc/68/00/37/418680037.db2.gz SDOCGEBJGZYBSP-KRWDZBQOSA-N 2 2 315.465 1.497 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000372988400 418918784 /nfs/dbraw/zinc/91/87/84/418918784.db2.gz CKOWFCSVJREFQC-HNNXBMFYSA-N 2 2 305.426 1.058 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000372988400 418918786 /nfs/dbraw/zinc/91/87/86/418918786.db2.gz CKOWFCSVJREFQC-HNNXBMFYSA-N 2 2 305.426 1.058 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434981451 229348267 /nfs/dbraw/zinc/34/82/67/229348267.db2.gz JVOHJOJEKSCBSW-INIZCTEOSA-N 2 2 309.373 1.687 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000424137854 420312835 /nfs/dbraw/zinc/31/28/35/420312835.db2.gz PKZKCZZTYBNOEC-MRXNPFEDSA-N 2 2 311.389 1.569 20 30 DDEDLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000515832486 421518775 /nfs/dbraw/zinc/51/87/75/421518775.db2.gz XOFDLHDHPPTOOM-ZACQAIPSSA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000515832486 421518776 /nfs/dbraw/zinc/51/87/76/421518776.db2.gz XOFDLHDHPPTOOM-ZACQAIPSSA-N 2 2 324.513 1.539 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568166438 421617581 /nfs/dbraw/zinc/61/75/81/421617581.db2.gz KUCZQFDYZSWNOB-GJZGRUSLSA-N 2 2 302.422 1.799 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568166438 421617583 /nfs/dbraw/zinc/61/75/83/421617583.db2.gz KUCZQFDYZSWNOB-GJZGRUSLSA-N 2 2 302.422 1.799 20 30 DDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000569012347 421624179 /nfs/dbraw/zinc/62/41/79/421624179.db2.gz KRHWGHKKDDAZLA-INIZCTEOSA-N 2 2 314.389 1.369 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000570292698 421636974 /nfs/dbraw/zinc/63/69/74/421636974.db2.gz UNPKLEMPLQCIDT-AWEZNQCLSA-N 2 2 304.394 1.206 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535315397 421701905 /nfs/dbraw/zinc/70/19/05/421701905.db2.gz VVCNIKVNVZPRHT-BBRMVZONSA-N 2 2 303.410 1.264 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535315397 421701907 /nfs/dbraw/zinc/70/19/07/421701907.db2.gz VVCNIKVNVZPRHT-BBRMVZONSA-N 2 2 303.410 1.264 20 30 DDEDLP CCn1nncc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527730720 267266807 /nfs/dbraw/zinc/26/68/07/267266807.db2.gz SSOYOWNHNMPCMN-UHFFFAOYSA-N 2 2 324.432 1.924 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)n2c1 ZINC000369480620 268224760 /nfs/dbraw/zinc/22/47/60/268224760.db2.gz QBYYAFJSFFGRGH-GOEBONIOSA-N 2 2 311.389 1.159 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000490800598 275382452 /nfs/dbraw/zinc/38/24/52/275382452.db2.gz VSNJPAUIGIYLRZ-HOTGVXAUSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000490800598 275382453 /nfs/dbraw/zinc/38/24/53/275382453.db2.gz VSNJPAUIGIYLRZ-HOTGVXAUSA-N 2 2 321.490 1.124 20 30 DDEDLP CC1(C#N)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000408158158 278171174 /nfs/dbraw/zinc/17/11/74/278171174.db2.gz JCMJFVBNPINOAD-UHFFFAOYSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164181 298135963 /nfs/dbraw/zinc/13/59/63/298135963.db2.gz OLMSLGVEBCOOAB-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164181 298135966 /nfs/dbraw/zinc/13/59/66/298135966.db2.gz OLMSLGVEBCOOAB-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164181 298135969 /nfs/dbraw/zinc/13/59/69/298135969.db2.gz OLMSLGVEBCOOAB-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164181 298135971 /nfs/dbraw/zinc/13/59/71/298135971.db2.gz OLMSLGVEBCOOAB-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584122206 331837299 /nfs/dbraw/zinc/83/72/99/331837299.db2.gz KGKNFSALCBZMKY-KRWDZBQOSA-N 2 2 314.433 1.613 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)CC1 ZINC000520792074 337390880 /nfs/dbraw/zinc/39/08/80/337390880.db2.gz FHLHPENPJLGPED-CRAIPNDOSA-N 2 2 318.465 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)CC1 ZINC000520792074 337390881 /nfs/dbraw/zinc/39/08/81/337390881.db2.gz FHLHPENPJLGPED-CRAIPNDOSA-N 2 2 318.465 1.555 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516488581 338012684 /nfs/dbraw/zinc/01/26/84/338012684.db2.gz VBXLKWNBGOXOPX-CQSZACIVSA-N 2 2 305.426 1.345 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174624 341331592 /nfs/dbraw/zinc/33/15/92/341331592.db2.gz JNKRVIMZBBVRSR-CVEARBPZSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174624 341331593 /nfs/dbraw/zinc/33/15/93/341331593.db2.gz JNKRVIMZBBVRSR-CVEARBPZSA-N 2 2 308.470 1.658 20 30 DDEDLP 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697108423 /nfs/dbraw/zinc/10/84/23/697108423.db2.gz ILHZUBSRVOSQFH-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981490737 697110977 /nfs/dbraw/zinc/11/09/77/697110977.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981490737 697110978 /nfs/dbraw/zinc/11/09/78/697110978.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981490737 697110979 /nfs/dbraw/zinc/11/09/79/697110979.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981490737 697110980 /nfs/dbraw/zinc/11/09/80/697110980.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985509728 697522541 /nfs/dbraw/zinc/52/25/41/697522541.db2.gz VVVFYUMWBVYSFW-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985509728 697522543 /nfs/dbraw/zinc/52/25/43/697522543.db2.gz VVVFYUMWBVYSFW-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985642497 697548830 /nfs/dbraw/zinc/54/88/30/697548830.db2.gz HLXFABOYUTVBGC-AWEZNQCLSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985642497 697548832 /nfs/dbraw/zinc/54/88/32/697548832.db2.gz HLXFABOYUTVBGC-AWEZNQCLSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000985700598 697558809 /nfs/dbraw/zinc/55/88/09/697558809.db2.gz CDJNKKFZJXXHBW-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000985700598 697558810 /nfs/dbraw/zinc/55/88/10/697558810.db2.gz CDJNKKFZJXXHBW-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989558426 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302.422 1.650 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039384791 761984831 /nfs/dbraw/zinc/98/48/31/761984831.db2.gz NMWZPNNUIOBKGX-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039384791 761984837 /nfs/dbraw/zinc/98/48/37/761984837.db2.gz NMWZPNNUIOBKGX-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039384791 761984841 /nfs/dbraw/zinc/98/48/41/761984841.db2.gz NMWZPNNUIOBKGX-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039384791 761984848 /nfs/dbraw/zinc/98/48/48/761984848.db2.gz NMWZPNNUIOBKGX-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996693961 749918485 /nfs/dbraw/zinc/91/84/85/749918485.db2.gz LKNFVHVNNPVBNC-JKSUJKDBSA-N 2 2 316.449 1.697 20 30 DDEDLP 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762559268 /nfs/dbraw/zinc/55/92/68/762559268.db2.gz MPIBWJHFRBDNDK-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040493508 762559272 /nfs/dbraw/zinc/55/92/72/762559272.db2.gz MPIBWJHFRBDNDK-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510540 762570883 /nfs/dbraw/zinc/57/08/83/762570883.db2.gz QCLFCFUABHYLKP-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510540 762570886 /nfs/dbraw/zinc/57/08/86/762570886.db2.gz QCLFCFUABHYLKP-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017618950 758086753 /nfs/dbraw/zinc/08/67/53/758086753.db2.gz WOZOCGJLJQDHGF-OWCLPIDISA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017618950 758086760 /nfs/dbraw/zinc/08/67/60/758086760.db2.gz WOZOCGJLJQDHGF-OWCLPIDISA-N 2 2 312.417 1.459 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975644 758114769 /nfs/dbraw/zinc/11/47/69/758114769.db2.gz MTJMNSNIAPQHME-VYDXJSESSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780691 758232740 /nfs/dbraw/zinc/23/27/40/758232740.db2.gz PQIDSSWBONEBQU-IYBDPMFKSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780691 758232745 /nfs/dbraw/zinc/23/27/45/758232745.db2.gz PQIDSSWBONEBQU-IYBDPMFKSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173761 759254470 /nfs/dbraw/zinc/25/44/70/759254470.db2.gz UKLPRLBHUMRAEH-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173761 759254475 /nfs/dbraw/zinc/25/44/75/759254475.db2.gz UKLPRLBHUMRAEH-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001019030152 759525720 /nfs/dbraw/zinc/52/57/20/759525720.db2.gz BYPIYDFQDCFCJX-ZDUSSCGKSA-N 2 2 310.829 1.870 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788097 760240929 /nfs/dbraw/zinc/24/09/29/760240929.db2.gz DRGBJFLPTQFEIH-GOEBONIOSA-N 2 2 302.422 1.473 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788097 760240937 /nfs/dbraw/zinc/24/09/37/760240937.db2.gz DRGBJFLPTQFEIH-GOEBONIOSA-N 2 2 302.422 1.473 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215595 760401888 /nfs/dbraw/zinc/40/18/88/760401888.db2.gz GMLAZBWZOUPKRF-SFHVURJKSA-N 2 2 323.481 1.195 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215595 760401894 /nfs/dbraw/zinc/40/18/94/760401894.db2.gz GMLAZBWZOUPKRF-SFHVURJKSA-N 2 2 323.481 1.195 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108215595 760401898 /nfs/dbraw/zinc/40/18/98/760401898.db2.gz GMLAZBWZOUPKRF-SFHVURJKSA-N 2 2 323.481 1.195 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108215595 760401904 /nfs/dbraw/zinc/40/19/04/760401904.db2.gz GMLAZBWZOUPKRF-SFHVURJKSA-N 2 2 323.481 1.195 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001020180291 760656155 /nfs/dbraw/zinc/65/61/55/760656155.db2.gz UVAZTBZXURWBHF-LALPHHSUSA-N 2 2 303.410 1.213 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001020180291 760656158 /nfs/dbraw/zinc/65/61/58/760656158.db2.gz UVAZTBZXURWBHF-LALPHHSUSA-N 2 2 303.410 1.213 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042034936 763582378 /nfs/dbraw/zinc/58/23/78/763582378.db2.gz NVCKCPDLZCUFOU-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042034936 763582382 /nfs/dbraw/zinc/58/23/82/763582382.db2.gz NVCKCPDLZCUFOU-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042155314 763718177 /nfs/dbraw/zinc/71/81/77/763718177.db2.gz CHZFXTOSDMDTAC-CABCVRRESA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042155314 763718182 /nfs/dbraw/zinc/71/81/82/763718182.db2.gz CHZFXTOSDMDTAC-CABCVRRESA-N 2 2 322.840 1.867 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC001050570348 763764012 /nfs/dbraw/zinc/76/40/12/763764012.db2.gz ZQXZJUXYRXEMDU-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050730619 763971424 /nfs/dbraw/zinc/97/14/24/763971424.db2.gz KJSDMDTYLIVELP-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001042920208 764526158 /nfs/dbraw/zinc/52/61/58/764526158.db2.gz WFRXDYAQPZNFCE-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042920208 764526166 /nfs/dbraw/zinc/52/61/66/764526166.db2.gz WFRXDYAQPZNFCE-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146984 765339843 /nfs/dbraw/zinc/33/98/43/765339843.db2.gz ZYMYSPIFYRUSJB-KRWDZBQOSA-N 2 2 321.465 1.208 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001044775206 765804481 /nfs/dbraw/zinc/80/44/81/765804481.db2.gz KFOMFYCNCXJMJP-HZPDHXFCSA-N 2 2 324.428 1.788 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052507105 765901324 /nfs/dbraw/zinc/90/13/24/765901324.db2.gz RVTDUPTZBVWXSA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052507105 765901326 /nfs/dbraw/zinc/90/13/26/765901326.db2.gz RVTDUPTZBVWXSA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045483840 766341332 /nfs/dbraw/zinc/34/13/32/766341332.db2.gz RJHPRESVXPSNOT-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975757 766755051 /nfs/dbraw/zinc/75/50/51/766755051.db2.gz HSBIRTCVIXMVDV-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975757 766755054 /nfs/dbraw/zinc/75/50/54/766755054.db2.gz HSBIRTCVIXMVDV-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416180 766875793 /nfs/dbraw/zinc/87/57/93/766875793.db2.gz FVULHKSJDZWTHB-INIZCTEOSA-N 2 2 323.400 1.538 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426095 767546853 /nfs/dbraw/zinc/54/68/53/767546853.db2.gz NLMPWEONFQOUES-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426095 767546861 /nfs/dbraw/zinc/54/68/61/767546861.db2.gz NLMPWEONFQOUES-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457739 768874159 /nfs/dbraw/zinc/87/41/59/768874159.db2.gz MLGIKPQBAVUHLK-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457739 768874171 /nfs/dbraw/zinc/87/41/71/768874171.db2.gz MLGIKPQBAVUHLK-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248201 769190149 /nfs/dbraw/zinc/19/01/49/769190149.db2.gz GQOGBKJWMMCWHA-NVXWUHKLSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248201 769190151 /nfs/dbraw/zinc/19/01/51/769190151.db2.gz GQOGBKJWMMCWHA-NVXWUHKLSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875019 769280025 /nfs/dbraw/zinc/28/00/25/769280025.db2.gz REHMIGCMJZLWPK-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875019 769280029 /nfs/dbraw/zinc/28/00/29/769280029.db2.gz REHMIGCMJZLWPK-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132996518 769404857 /nfs/dbraw/zinc/40/48/57/769404857.db2.gz BVDAFPGBVIPPIK-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241231 769618536 /nfs/dbraw/zinc/61/85/36/769618536.db2.gz GCXJTJMOTDUGEM-LSDHHAIUSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133353985 769736465 /nfs/dbraw/zinc/73/64/65/769736465.db2.gz KLBGSHVVWNUNNR-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133371592 769754070 /nfs/dbraw/zinc/75/40/70/769754070.db2.gz SXMZZDYTSUNDSZ-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084618 770526059 /nfs/dbraw/zinc/52/60/59/770526059.db2.gz FRHUUTMQQMNLMA-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084618 770526061 /nfs/dbraw/zinc/52/60/61/770526061.db2.gz FRHUUTMQQMNLMA-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049392285 770773686 /nfs/dbraw/zinc/77/36/86/770773686.db2.gz XHVYWZVBLXGSBZ-ZACQAIPSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049392285 770773691 /nfs/dbraw/zinc/77/36/91/770773691.db2.gz XHVYWZVBLXGSBZ-ZACQAIPSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049392285 770773694 /nfs/dbraw/zinc/77/36/94/770773694.db2.gz XHVYWZVBLXGSBZ-ZACQAIPSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049392285 770773696 /nfs/dbraw/zinc/77/36/96/770773696.db2.gz XHVYWZVBLXGSBZ-ZACQAIPSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626851 771030619 /nfs/dbraw/zinc/03/06/19/771030619.db2.gz UBUNMLQIPPUCRU-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049626851 771030624 /nfs/dbraw/zinc/03/06/24/771030624.db2.gz UBUNMLQIPPUCRU-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674311 771073572 /nfs/dbraw/zinc/07/35/72/771073572.db2.gz BYJJUJCCSUVIEG-CVEARBPZSA-N 2 2 315.417 1.653 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674311 771073573 /nfs/dbraw/zinc/07/35/73/771073573.db2.gz BYJJUJCCSUVIEG-CVEARBPZSA-N 2 2 315.417 1.653 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737829 771549714 /nfs/dbraw/zinc/54/97/14/771549714.db2.gz YRMGGRJNBWONGX-ARFHVFGLSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001091106453 772528677 /nfs/dbraw/zinc/52/86/77/772528677.db2.gz PUMHQDRFHAUMGN-MOKVOYLWSA-N 2 2 322.840 1.682 20 30 DDEDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186150 772535404 /nfs/dbraw/zinc/53/54/04/772535404.db2.gz UGTOLUZQPGHOSN-CJNGLKHVSA-N 2 2 303.406 1.749 20 30 DDEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706225 772922929 /nfs/dbraw/zinc/92/29/29/772922929.db2.gz BOAKXHZFMPDLSF-CVEARBPZSA-N 2 2 320.437 1.186 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959723 773745858 /nfs/dbraw/zinc/74/58/58/773745858.db2.gz QNGWJJGZPDAWAJ-OAHLLOKOSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779762 773816329 /nfs/dbraw/zinc/81/63/29/773816329.db2.gz IZAZLTRRSSOZSU-QAPCUYQASA-N 2 2 314.433 1.340 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779762 773816335 /nfs/dbraw/zinc/81/63/35/773816335.db2.gz IZAZLTRRSSOZSU-QAPCUYQASA-N 2 2 314.433 1.340 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092977913 774336831 /nfs/dbraw/zinc/33/68/31/774336831.db2.gz PEOJPTKUWWYQCR-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092977913 774336837 /nfs/dbraw/zinc/33/68/37/774336837.db2.gz PEOJPTKUWWYQCR-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098909764 774715899 /nfs/dbraw/zinc/71/58/99/774715899.db2.gz ANMRAEYKEHWSNE-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098909764 774715905 /nfs/dbraw/zinc/71/59/05/774715905.db2.gz ANMRAEYKEHWSNE-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148548 774864001 /nfs/dbraw/zinc/86/40/01/774864001.db2.gz GFADZVLGMGEFCW-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148548 774864012 /nfs/dbraw/zinc/86/40/12/774864012.db2.gz GFADZVLGMGEFCW-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172133279 776634928 /nfs/dbraw/zinc/63/49/28/776634928.db2.gz QYCMUEVILXGLJG-QDMKHBRRSA-N 2 2 305.422 1.780 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172133279 776634931 /nfs/dbraw/zinc/63/49/31/776634931.db2.gz QYCMUEVILXGLJG-QDMKHBRRSA-N 2 2 305.422 1.780 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001094945816 776876971 /nfs/dbraw/zinc/87/69/71/776876971.db2.gz IDXHKJXWLNNDOQ-IMJJTQAJSA-N 2 2 315.417 1.788 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138173 778457105 /nfs/dbraw/zinc/45/71/05/778457105.db2.gz JPMNOGDBBCJPFA-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 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ZINC001203013858 860594879 /nfs/dbraw/zinc/59/48/79/860594879.db2.gz LUNMMVQIHSPHMS-LSDHHAIUSA-N 2 2 302.422 1.935 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001157257544 863688312 /nfs/dbraw/zinc/68/83/12/863688312.db2.gz SZUMWHYETJZLHJ-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001330308335 864228736 /nfs/dbraw/zinc/22/87/36/864228736.db2.gz GQNDMOSOVYQVPH-QKDCVEJESA-N 2 2 301.390 1.113 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001330308335 864228743 /nfs/dbraw/zinc/22/87/43/864228743.db2.gz GQNDMOSOVYQVPH-QKDCVEJESA-N 2 2 301.390 1.113 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066400 864375809 /nfs/dbraw/zinc/37/58/09/864375809.db2.gz REGCWODHCAQNBM-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066400 864375825 /nfs/dbraw/zinc/37/58/25/864375825.db2.gz REGCWODHCAQNBM-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066402 864377789 /nfs/dbraw/zinc/37/77/89/864377789.db2.gz REGCWODHCAQNBM-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066402 864377805 /nfs/dbraw/zinc/37/78/05/864377805.db2.gz REGCWODHCAQNBM-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112550 864418737 /nfs/dbraw/zinc/41/87/37/864418737.db2.gz LNHAIODYGBTPSU-CYBMUJFWSA-N 2 2 306.410 1.200 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112550 864418743 /nfs/dbraw/zinc/41/87/43/864418743.db2.gz LNHAIODYGBTPSU-CYBMUJFWSA-N 2 2 306.410 1.200 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559143 865936922 /nfs/dbraw/zinc/93/69/22/865936922.db2.gz FUDIBYXGFFCMBJ-UHFFFAOYSA-N 2 2 318.421 1.674 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559143 865936930 /nfs/dbraw/zinc/93/69/30/865936930.db2.gz FUDIBYXGFFCMBJ-UHFFFAOYSA-N 2 2 318.421 1.674 20 30 DDEDLP N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001160569874 865948436 /nfs/dbraw/zinc/94/84/36/865948436.db2.gz WRKREJGQFHXVHG-IRXDYDNUSA-N 2 2 312.417 1.029 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693792 866035489 /nfs/dbraw/zinc/03/54/89/866035489.db2.gz QIKBBNVWHIDPJM-CVEARBPZSA-N 2 2 323.400 1.557 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001319663154 866199444 /nfs/dbraw/zinc/19/94/44/866199444.db2.gz MBNBHVWVQDPWIX-OAHLLOKOSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001333070231 866391863 /nfs/dbraw/zinc/39/18/63/866391863.db2.gz GGDIDZMDGNPMHA-UHFFFAOYSA-N 2 2 314.433 1.364 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309473 866520362 /nfs/dbraw/zinc/52/03/62/866520362.db2.gz OKGOVJPBSGOPDW-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309473 866520377 /nfs/dbraw/zinc/52/03/77/866520377.db2.gz OKGOVJPBSGOPDW-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323309473 866520381 /nfs/dbraw/zinc/52/03/81/866520381.db2.gz OKGOVJPBSGOPDW-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323309473 866520393 /nfs/dbraw/zinc/52/03/93/866520393.db2.gz OKGOVJPBSGOPDW-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP COc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(C#N)c1 ZINC001164206980 869012618 /nfs/dbraw/zinc/01/26/18/869012618.db2.gz ODQCUMBGJBVVIL-UHFFFAOYSA-N 2 2 303.410 1.400 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164491730 869230282 /nfs/dbraw/zinc/23/02/82/869230282.db2.gz NGNNMIDMDJBKGR-INIZCTEOSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164491730 869230296 /nfs/dbraw/zinc/23/02/96/869230296.db2.gz NGNNMIDMDJBKGR-INIZCTEOSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165835903 869728638 /nfs/dbraw/zinc/72/86/38/869728638.db2.gz KLISIYUEJDDQHK-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203442151 870562502 /nfs/dbraw/zinc/56/25/02/870562502.db2.gz JROXJECXOGAIJH-LSDHHAIUSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537562 871618012 /nfs/dbraw/zinc/61/80/12/871618012.db2.gz RTNMFJPDGXOINC-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)c1C#N ZINC001205687756 871698657 /nfs/dbraw/zinc/69/86/57/871698657.db2.gz AMGBWOIFCZRAEX-QGZVFWFLSA-N 2 2 320.412 1.439 20 30 DDEDLP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)c1C#N ZINC001205687756 871698661 /nfs/dbraw/zinc/69/86/61/871698661.db2.gz AMGBWOIFCZRAEX-QGZVFWFLSA-N 2 2 320.412 1.439 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001318469301 872091372 /nfs/dbraw/zinc/09/13/72/872091372.db2.gz DHRBBXGVDREYCI-CVEARBPZSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001318469301 872091393 /nfs/dbraw/zinc/09/13/93/872091393.db2.gz DHRBBXGVDREYCI-CVEARBPZSA-N 2 2 316.449 1.953 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC001206796584 872597054 /nfs/dbraw/zinc/59/70/54/872597054.db2.gz CKJTVKHWBKUWFG-UHFFFAOYSA-N 2 2 317.481 1.520 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001319654564 872738709 /nfs/dbraw/zinc/73/87/09/872738709.db2.gz GPPLWGUNAMRMQZ-OAGGEKHMSA-N 2 2 314.433 1.801 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001319654564 872738725 /nfs/dbraw/zinc/73/87/25/872738725.db2.gz GPPLWGUNAMRMQZ-OAGGEKHMSA-N 2 2 314.433 1.801 20 30 DDEDLP C=CC[C@]1(C(=O)NCc2nc(C[NH+](C)C)cs2)CCC[NH2+]1 ZINC001344694684 873080909 /nfs/dbraw/zinc/08/09/09/873080909.db2.gz XWQVPVINZRPTSQ-OAHLLOKOSA-N 2 2 308.451 1.519 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499843 875954794 /nfs/dbraw/zinc/95/47/94/875954794.db2.gz CWFXMNSSOHHENI-RRFJBIMHSA-N 2 2 306.410 1.226 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499843 875954802 /nfs/dbraw/zinc/95/48/02/875954802.db2.gz CWFXMNSSOHHENI-RRFJBIMHSA-N 2 2 306.410 1.226 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950432 876518274 /nfs/dbraw/zinc/51/82/74/876518274.db2.gz RFKWUNUTLZPWRY-UKRRQHHQSA-N 2 2 303.406 1.645 20 30 DDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#C[C@@H]1CCCCO1 ZINC001353375373 877285146 /nfs/dbraw/zinc/28/51/46/877285146.db2.gz DRHPGTBMHJBKBJ-MOPGFXCFSA-N 2 2 316.445 1.641 20 30 DDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#C[C@@H]1CCCCO1 ZINC001353375373 877285164 /nfs/dbraw/zinc/28/51/64/877285164.db2.gz DRHPGTBMHJBKBJ-MOPGFXCFSA-N 2 2 316.445 1.641 20 30 DDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#C[C@@H]1CCCCO1 ZINC001353375374 877286992 /nfs/dbraw/zinc/28/69/92/877286992.db2.gz DRHPGTBMHJBKBJ-OALUTQOASA-N 2 2 316.445 1.641 20 30 DDEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#C[C@@H]1CCCCO1 ZINC001353375374 877287004 /nfs/dbraw/zinc/28/70/04/877287004.db2.gz DRHPGTBMHJBKBJ-OALUTQOASA-N 2 2 316.445 1.641 20 30 DDEDLP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(OC(F)(F)F)c1 ZINC001218841083 877760713 /nfs/dbraw/zinc/76/07/13/877760713.db2.gz XQXGJKYLSWBMFF-QMMMGPOBSA-N 2 2 302.256 1.071 20 30 DDEDLP C=CCOCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987018 881175342 /nfs/dbraw/zinc/17/53/42/881175342.db2.gz DRUGCHIHRLTMEX-UHFFFAOYSA-N 2 2 320.437 1.304 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001382591083 884310071 /nfs/dbraw/zinc/31/00/71/884310071.db2.gz VGEJCKPOBQMLLA-UHFFFAOYSA-N 2 2 322.840 1.996 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230338445 884433830 /nfs/dbraw/zinc/43/38/30/884433830.db2.gz PBUAQYHUBXKWCS-HZPDHXFCSA-N 2 2 302.422 1.704 20 30 DDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384714 886966752 /nfs/dbraw/zinc/96/67/52/886966752.db2.gz FVNGJSQWSXUTGF-UHFFFAOYSA-N 2 2 314.389 1.894 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277863428 888064205 /nfs/dbraw/zinc/06/42/05/888064205.db2.gz PAOAKERPXAPMGU-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323489 890586964 /nfs/dbraw/zinc/58/69/64/890586964.db2.gz FBWWPGWLTCSEOA-QZTJIDSGSA-N 2 2 317.433 1.634 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323489 890586971 /nfs/dbraw/zinc/58/69/71/890586971.db2.gz FBWWPGWLTCSEOA-QZTJIDSGSA-N 2 2 317.433 1.634 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278511881 893795071 /nfs/dbraw/zinc/79/50/71/893795071.db2.gz LVXSAUOXDVAGAN-QAPCUYQASA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252596323 895298210 /nfs/dbraw/zinc/29/82/10/895298210.db2.gz PGJMTOXZGSEFRD-JZXOWHBKSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252596323 895298225 /nfs/dbraw/zinc/29/82/25/895298225.db2.gz PGJMTOXZGSEFRD-JZXOWHBKSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252596323 895298238 /nfs/dbraw/zinc/29/82/38/895298238.db2.gz PGJMTOXZGSEFRD-JZXOWHBKSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252596323 895298254 /nfs/dbraw/zinc/29/82/54/895298254.db2.gz PGJMTOXZGSEFRD-JZXOWHBKSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCOC ZINC001279044780 897947222 /nfs/dbraw/zinc/94/72/22/897947222.db2.gz MUNFUOVMCQSMSM-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCOC ZINC001279044780 897947230 /nfs/dbraw/zinc/94/72/30/897947230.db2.gz MUNFUOVMCQSMSM-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCOC ZINC001279044781 897947288 /nfs/dbraw/zinc/94/72/88/897947288.db2.gz MUNFUOVMCQSMSM-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCOC ZINC001279044781 897947305 /nfs/dbraw/zinc/94/73/05/897947305.db2.gz MUNFUOVMCQSMSM-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001279102498 898208567 /nfs/dbraw/zinc/20/85/67/898208567.db2.gz HALXRLUUQRKPRN-PBHICJAKSA-N 2 2 324.428 1.964 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001281055662 898369493 /nfs/dbraw/zinc/36/94/93/898369493.db2.gz IWBZWPJRRXJBCR-UHFFFAOYSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001263092874 900493361 /nfs/dbraw/zinc/49/33/61/900493361.db2.gz IFEKBZUCTSKQDX-GFCCVEGCSA-N 2 2 306.435 1.536 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001263092874 900493370 /nfs/dbraw/zinc/49/33/70/900493370.db2.gz IFEKBZUCTSKQDX-GFCCVEGCSA-N 2 2 306.435 1.536 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001265332727 901896030 /nfs/dbraw/zinc/89/60/30/901896030.db2.gz ZYAODOSXGSVTAD-HZPDHXFCSA-N 2 2 314.433 1.828 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265613466 902202991 /nfs/dbraw/zinc/20/29/91/902202991.db2.gz PLTQZRZATKLHSY-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265613466 902203005 /nfs/dbraw/zinc/20/30/05/902203005.db2.gz PLTQZRZATKLHSY-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001279646340 903367082 /nfs/dbraw/zinc/36/70/82/903367082.db2.gz ZTMLBQUNKMOALA-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001279646340 903367096 /nfs/dbraw/zinc/36/70/96/903367096.db2.gz ZTMLBQUNKMOALA-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP C=CCCC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001281282450 904651839 /nfs/dbraw/zinc/65/18/39/904651839.db2.gz CCQONZLFWXSSSX-UHFFFAOYSA-N 2 2 320.437 1.482 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001371627798 905357138 /nfs/dbraw/zinc/35/71/38/905357138.db2.gz YHAXUTVAHKGDOL-CYBMUJFWSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001282448617 905793111 /nfs/dbraw/zinc/79/31/11/905793111.db2.gz BDZOXGSBIMKBAX-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001282448617 905793120 /nfs/dbraw/zinc/79/31/20/905793120.db2.gz BDZOXGSBIMKBAX-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001282448617 905793133 /nfs/dbraw/zinc/79/31/33/905793133.db2.gz BDZOXGSBIMKBAX-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001282448617 905793146 /nfs/dbraw/zinc/79/31/46/905793146.db2.gz BDZOXGSBIMKBAX-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001283449737 907370546 /nfs/dbraw/zinc/37/05/46/907370546.db2.gz QBAYPKIUYNJADM-HZPDHXFCSA-N 2 2 316.449 1.589 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001284045141 908377709 /nfs/dbraw/zinc/37/77/09/908377709.db2.gz MVAURLXAFNLDLX-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001284045141 908377726 /nfs/dbraw/zinc/37/77/26/908377726.db2.gz MVAURLXAFNLDLX-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001284045141 908377743 /nfs/dbraw/zinc/37/77/43/908377743.db2.gz MVAURLXAFNLDLX-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001284045141 908377754 /nfs/dbraw/zinc/37/77/54/908377754.db2.gz MVAURLXAFNLDLX-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001375327231 915612594 /nfs/dbraw/zinc/61/25/94/915612594.db2.gz PKKYLKOZMZDHRD-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001375327231 915612605 /nfs/dbraw/zinc/61/26/05/915612605.db2.gz PKKYLKOZMZDHRD-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000066921373 353025106 /nfs/dbraw/zinc/02/51/06/353025106.db2.gz VFNWDDSMVFDFFG-UHFFFAOYSA-N 2 2 310.401 1.604 20 30 DDEDLP C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331426712 291072215 /nfs/dbraw/zinc/07/22/15/291072215.db2.gz BRZHWWFFRCFEOL-UONOGXRCSA-N 2 2 319.453 1.241 20 30 DDEDLP C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331426712 291072218 /nfs/dbraw/zinc/07/22/18/291072218.db2.gz BRZHWWFFRCFEOL-UONOGXRCSA-N 2 2 319.453 1.241 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441148 356216818 /nfs/dbraw/zinc/21/68/18/356216818.db2.gz NSQXUSNZCOOYJH-CQSZACIVSA-N 2 2 313.405 1.872 20 30 DDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500159 356519531 /nfs/dbraw/zinc/51/95/31/356519531.db2.gz BVPYBRHSZWGNNB-HZPDHXFCSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500159 356519534 /nfs/dbraw/zinc/51/95/34/356519534.db2.gz BVPYBRHSZWGNNB-HZPDHXFCSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500159 356519539 /nfs/dbraw/zinc/51/95/39/356519539.db2.gz BVPYBRHSZWGNNB-HZPDHXFCSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500159 356519540 /nfs/dbraw/zinc/51/95/40/356519540.db2.gz BVPYBRHSZWGNNB-HZPDHXFCSA-N 2 2 318.421 1.107 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905864 356699793 /nfs/dbraw/zinc/69/97/93/356699793.db2.gz HYKRWWZPQYFZJP-HOTGVXAUSA-N 2 2 324.469 1.037 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905864 356699795 /nfs/dbraw/zinc/69/97/95/356699795.db2.gz HYKRWWZPQYFZJP-HOTGVXAUSA-N 2 2 324.469 1.037 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000598616851 357655630 /nfs/dbraw/zinc/65/56/30/357655630.db2.gz CHFVBYBJDVRNIU-HZPDHXFCSA-N 2 2 309.454 1.474 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000598616851 357655634 /nfs/dbraw/zinc/65/56/34/357655634.db2.gz CHFVBYBJDVRNIU-HZPDHXFCSA-N 2 2 309.454 1.474 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCC#N)c2)CC1 ZINC000601806939 358701063 /nfs/dbraw/zinc/70/10/63/358701063.db2.gz QWLJMHJTTRLYCQ-UHFFFAOYSA-N 2 2 301.394 1.856 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000602721576 359149363 /nfs/dbraw/zinc/14/93/63/359149363.db2.gz QWVPXUCBWXCSNJ-CABCVRRESA-N 2 2 322.453 1.015 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000602721576 359149365 /nfs/dbraw/zinc/14/93/65/359149365.db2.gz QWVPXUCBWXCSNJ-CABCVRRESA-N 2 2 322.453 1.015 20 30 DDEDLP C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602867562 359251485 /nfs/dbraw/zinc/25/14/85/359251485.db2.gz DXZFEJMWAOUXKO-KGLIPLIRSA-N 2 2 301.394 1.010 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429273 359635216 /nfs/dbraw/zinc/63/52/16/359635216.db2.gz VYWFRAHBWQYXAI-FGTMMUONSA-N 2 2 320.481 1.455 20 30 DDEDLP CN1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000271850079 209266465 /nfs/dbraw/zinc/26/64/65/209266465.db2.gz INSWUFPKMJKWPV-KRWDZBQOSA-N 2 2 312.417 1.343 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000266153449 205141870 /nfs/dbraw/zinc/14/18/70/205141870.db2.gz XQSZQPPJMQUKEV-KRWDZBQOSA-N 2 2 312.417 1.737 20 30 DDEDLP C[C@@H]1CN(c2ncc(C#N)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000413224472 224157354 /nfs/dbraw/zinc/15/73/54/224157354.db2.gz YIHMDECAQRANFJ-CYBMUJFWSA-N 2 2 317.412 1.697 20 30 DDEDLP C[C@@H]1CN(c2ncc(C#N)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000413224472 224157356 /nfs/dbraw/zinc/15/73/56/224157356.db2.gz YIHMDECAQRANFJ-CYBMUJFWSA-N 2 2 317.412 1.697 20 30 DDEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664935 407201028 /nfs/dbraw/zinc/20/10/28/407201028.db2.gz PORQQWMKJLAXLY-QGZVFWFLSA-N 2 2 314.429 1.853 20 30 DDEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664935 407201030 /nfs/dbraw/zinc/20/10/30/407201030.db2.gz PORQQWMKJLAXLY-QGZVFWFLSA-N 2 2 314.429 1.853 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)cn1 ZINC000107781105 407379476 /nfs/dbraw/zinc/37/94/76/407379476.db2.gz AYHKZIDPXZOSIQ-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)cn1 ZINC000107781105 407379477 /nfs/dbraw/zinc/37/94/77/407379477.db2.gz AYHKZIDPXZOSIQ-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000111241035 407402264 /nfs/dbraw/zinc/40/22/64/407402264.db2.gz RRFMPFHDHGTVAB-HNNXBMFYSA-N 2 2 308.470 1.801 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000111241035 407402266 /nfs/dbraw/zinc/40/22/66/407402266.db2.gz RRFMPFHDHGTVAB-HNNXBMFYSA-N 2 2 308.470 1.801 20 30 DDEDLP CN(C(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000273335853 408157659 /nfs/dbraw/zinc/15/76/59/408157659.db2.gz LDMXDKUXKZUNIC-INIZCTEOSA-N 2 2 302.422 1.296 20 30 DDEDLP CN(C(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000273335853 408157666 /nfs/dbraw/zinc/15/76/66/408157666.db2.gz LDMXDKUXKZUNIC-INIZCTEOSA-N 2 2 302.422 1.296 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995651 408375191 /nfs/dbraw/zinc/37/51/91/408375191.db2.gz BDDKABPONCFQPF-LHHMISFZSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995651 408375196 /nfs/dbraw/zinc/37/51/96/408375196.db2.gz BDDKABPONCFQPF-LHHMISFZSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158995651 408375201 /nfs/dbraw/zinc/37/52/01/408375201.db2.gz BDDKABPONCFQPF-LHHMISFZSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995651 408375205 /nfs/dbraw/zinc/37/52/05/408375205.db2.gz BDDKABPONCFQPF-LHHMISFZSA-N 2 2 320.481 1.845 20 30 DDEDLP C[NH+]=C(NCc1nccs1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160030858 408451551 /nfs/dbraw/zinc/45/15/51/408451551.db2.gz PFTBEOUNADXCJA-CHWSQXEVSA-N 2 2 318.450 1.998 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247975003 408523620 /nfs/dbraw/zinc/52/36/20/408523620.db2.gz KRIRZLSJKAGDTH-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247975003 408523623 /nfs/dbraw/zinc/52/36/23/408523623.db2.gz KRIRZLSJKAGDTH-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247975003 408523624 /nfs/dbraw/zinc/52/36/24/408523624.db2.gz KRIRZLSJKAGDTH-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247975003 408523626 /nfs/dbraw/zinc/52/36/26/408523626.db2.gz KRIRZLSJKAGDTH-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP COc1cncc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000288729146 409173313 /nfs/dbraw/zinc/17/33/13/409173313.db2.gz WMTYYZJNBBPOGC-UHFFFAOYSA-N 2 2 314.389 1.989 20 30 DDEDLP CCOCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303790885 409556358 /nfs/dbraw/zinc/55/63/58/409556358.db2.gz WYPWIGOZXLNZIQ-UHFFFAOYSA-N 2 2 302.382 1.098 20 30 DDEDLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000328742306 409969720 /nfs/dbraw/zinc/96/97/20/409969720.db2.gz MVCQGRYNZDBGKM-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000328742306 409969723 /nfs/dbraw/zinc/96/97/23/409969723.db2.gz MVCQGRYNZDBGKM-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000328742306 409969725 /nfs/dbraw/zinc/96/97/25/409969725.db2.gz MVCQGRYNZDBGKM-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000328742306 409969728 /nfs/dbraw/zinc/96/97/28/409969728.db2.gz MVCQGRYNZDBGKM-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438268 410187795 /nfs/dbraw/zinc/18/77/95/410187795.db2.gz JYLMMHYLOVGWDR-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438268 410187798 /nfs/dbraw/zinc/18/77/98/410187798.db2.gz JYLMMHYLOVGWDR-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438268 410187801 /nfs/dbraw/zinc/18/78/01/410187801.db2.gz JYLMMHYLOVGWDR-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438268 410187803 /nfs/dbraw/zinc/18/78/03/410187803.db2.gz JYLMMHYLOVGWDR-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438253 410187939 /nfs/dbraw/zinc/18/79/39/410187939.db2.gz JYLMMHYLOVGWDR-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438253 410187941 /nfs/dbraw/zinc/18/79/41/410187941.db2.gz JYLMMHYLOVGWDR-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438253 410187944 /nfs/dbraw/zinc/18/79/44/410187944.db2.gz JYLMMHYLOVGWDR-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438253 410187946 /nfs/dbraw/zinc/18/79/46/410187946.db2.gz JYLMMHYLOVGWDR-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359326015 410605499 /nfs/dbraw/zinc/60/54/99/410605499.db2.gz WIKVZPXBLOGAHL-RRFJBIMHSA-N 2 2 319.474 1.802 20 30 DDEDLP CC(C)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330285336 410614015 /nfs/dbraw/zinc/61/40/15/410614015.db2.gz YTGBIJBHSNVJDK-CQSZACIVSA-N 2 2 305.426 1.386 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360926907 418548301 /nfs/dbraw/zinc/54/83/01/418548301.db2.gz LAQDZKICTARUGD-IXDOHACOSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360926907 418548305 /nfs/dbraw/zinc/54/83/05/418548305.db2.gz LAQDZKICTARUGD-IXDOHACOSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360926907 418548306 /nfs/dbraw/zinc/54/83/06/418548306.db2.gz LAQDZKICTARUGD-IXDOHACOSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360926907 418548310 /nfs/dbraw/zinc/54/83/10/418548310.db2.gz LAQDZKICTARUGD-IXDOHACOSA-N 2 2 305.466 1.827 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000247137593 222227227 /nfs/dbraw/zinc/22/72/27/222227227.db2.gz QXPVRROKVLVVIL-SJLPKXTDSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000247137593 222227230 /nfs/dbraw/zinc/22/72/30/222227230.db2.gz QXPVRROKVLVVIL-SJLPKXTDSA-N 2 2 318.465 1.745 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247544834 222230025 /nfs/dbraw/zinc/23/00/25/222230025.db2.gz KEJHWUIERQGXDY-INMHGKMJSA-N 2 2 317.437 1.820 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247544834 222230029 /nfs/dbraw/zinc/23/00/29/222230029.db2.gz KEJHWUIERQGXDY-INMHGKMJSA-N 2 2 317.437 1.820 20 30 DDEDLP C[NH+]=C(NCc1cn[nH]c1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262306806 222275702 /nfs/dbraw/zinc/27/57/02/222275702.db2.gz ASKKTACUTDMXCG-OAHLLOKOSA-N 2 2 304.442 1.354 20 30 DDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@H]1CCCO1 ZINC000262594142 222286492 /nfs/dbraw/zinc/28/64/92/222286492.db2.gz WAVYALMNANWWNI-CQSZACIVSA-N 2 2 315.421 1.689 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264094734 222316621 /nfs/dbraw/zinc/31/66/21/222316621.db2.gz LQAYOWMAUNUMEU-CQSZACIVSA-N 2 2 320.437 1.787 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000363489927 418766698 /nfs/dbraw/zinc/76/66/98/418766698.db2.gz PLONRPIISMGOPX-KYJSFNMBSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363489927 418766700 /nfs/dbraw/zinc/76/67/00/418766700.db2.gz PLONRPIISMGOPX-KYJSFNMBSA-N 2 2 315.417 1.930 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)CC1 ZINC000364205543 418774323 /nfs/dbraw/zinc/77/43/23/418774323.db2.gz HGIUYIISCXFACE-MRXNPFEDSA-N 2 2 312.417 1.457 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)CC1 ZINC000364205543 418774326 /nfs/dbraw/zinc/77/43/26/418774326.db2.gz HGIUYIISCXFACE-MRXNPFEDSA-N 2 2 312.417 1.457 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000424188793 228243802 /nfs/dbraw/zinc/24/38/02/228243802.db2.gz JXTKURCZVRIIFB-AWEZNQCLSA-N 2 2 321.450 1.199 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000424188793 228243805 /nfs/dbraw/zinc/24/38/05/228243805.db2.gz JXTKURCZVRIIFB-AWEZNQCLSA-N 2 2 321.450 1.199 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447535666 420779604 /nfs/dbraw/zinc/77/96/04/420779604.db2.gz HQLCZXJKVODIEY-PMPSAXMXSA-N 2 2 306.454 1.601 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447535666 420779607 /nfs/dbraw/zinc/77/96/07/420779607.db2.gz HQLCZXJKVODIEY-PMPSAXMXSA-N 2 2 306.454 1.601 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527684143 421430877 /nfs/dbraw/zinc/43/08/77/421430877.db2.gz BXEHHYFULVVSEY-UHFFFAOYSA-N 2 2 323.400 1.408 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000530335792 421594813 /nfs/dbraw/zinc/59/48/13/421594813.db2.gz XBJMPYDYBBDGIE-RBSFLKMASA-N 2 2 315.421 1.717 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000530335792 421594816 /nfs/dbraw/zinc/59/48/16/421594816.db2.gz XBJMPYDYBBDGIE-RBSFLKMASA-N 2 2 315.421 1.717 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000530334792 421595257 /nfs/dbraw/zinc/59/52/57/421595257.db2.gz WQLDPYPYUCUWPO-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000530334792 421595259 /nfs/dbraw/zinc/59/52/59/421595259.db2.gz WQLDPYPYUCUWPO-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000530334792 421595261 /nfs/dbraw/zinc/59/52/61/421595261.db2.gz WQLDPYPYUCUWPO-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000530334792 421595263 /nfs/dbraw/zinc/59/52/63/421595263.db2.gz WQLDPYPYUCUWPO-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572460943 421789692 /nfs/dbraw/zinc/78/96/92/421789692.db2.gz UAPHXJZYCGKSSB-CYBMUJFWSA-N 2 2 324.388 1.431 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000573491354 421968541 /nfs/dbraw/zinc/96/85/41/421968541.db2.gz HOZCRONAHCQQAR-HNNXBMFYSA-N 2 2 324.432 1.909 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000573491354 421968546 /nfs/dbraw/zinc/96/85/46/421968546.db2.gz HOZCRONAHCQQAR-HNNXBMFYSA-N 2 2 324.432 1.909 20 30 DDEDLP C=CCOc1cccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651890122 423727995 /nfs/dbraw/zinc/72/79/95/423727995.db2.gz OGJHUBGENMGNDO-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CCOc1cccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651890122 423728000 /nfs/dbraw/zinc/72/80/00/423728000.db2.gz OGJHUBGENMGNDO-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000662167381 424452973 /nfs/dbraw/zinc/45/29/73/424452973.db2.gz CAAUYLHSXIOZFM-DOTOQJQBSA-N 2 2 317.433 1.028 20 30 DDEDLP Cc1cc(C#N)cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000376446729 267303834 /nfs/dbraw/zinc/30/38/34/267303834.db2.gz CWGMEFSNTYGORN-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(C#N)cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000376446729 267303836 /nfs/dbraw/zinc/30/38/36/267303836.db2.gz CWGMEFSNTYGORN-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001120588901 782041809 /nfs/dbraw/zinc/04/18/09/782041809.db2.gz HYZDLCAPQWWNGZ-OALUTQOASA-N 2 2 316.445 1.548 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000526055956 333079429 /nfs/dbraw/zinc/07/94/29/333079429.db2.gz RJEDWTBZYJKQCG-LSDHHAIUSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000526055956 333079431 /nfs/dbraw/zinc/07/94/31/333079431.db2.gz RJEDWTBZYJKQCG-LSDHHAIUSA-N 2 2 304.438 1.355 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000171711445 337088800 /nfs/dbraw/zinc/08/88/00/337088800.db2.gz IBFUGKALTWHOOY-UHFFFAOYSA-N 2 2 317.437 1.597 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985156 484930177 /nfs/dbraw/zinc/93/01/77/484930177.db2.gz APVDATPCHHJNTD-KRWDZBQOSA-N 2 2 323.481 1.598 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985156 484930182 /nfs/dbraw/zinc/93/01/82/484930182.db2.gz APVDATPCHHJNTD-KRWDZBQOSA-N 2 2 323.481 1.598 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348320561 526635646 /nfs/dbraw/zinc/63/56/46/526635646.db2.gz NQFKDPIOQFQWBH-SZMVWBNQSA-N 2 2 313.445 1.741 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)OCCCCn2cc[nH+]c2C)CC1 ZINC000490900726 526934721 /nfs/dbraw/zinc/93/47/21/526934721.db2.gz XMOQNXWERGAUSF-UHFFFAOYSA-N 2 2 303.406 1.860 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980226791 696712883 /nfs/dbraw/zinc/71/28/83/696712883.db2.gz IMTSRJSRGBOISP-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980226791 696712884 /nfs/dbraw/zinc/71/28/84/696712884.db2.gz IMTSRJSRGBOISP-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714410 695321082 /nfs/dbraw/zinc/32/10/82/695321082.db2.gz UBLIWXOTGGUFCU-HNNXBMFYSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714410 695321083 /nfs/dbraw/zinc/32/10/83/695321083.db2.gz UBLIWXOTGGUFCU-HNNXBMFYSA-N 2 2 311.389 1.600 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619297 695697831 /nfs/dbraw/zinc/69/78/31/695697831.db2.gz PUQOLBZLVXQDJA-OAHLLOKOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619297 695697833 /nfs/dbraw/zinc/69/78/33/695697833.db2.gz PUQOLBZLVXQDJA-OAHLLOKOSA-N 2 2 314.433 1.222 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742198 695723692 /nfs/dbraw/zinc/72/36/92/695723692.db2.gz MRIWOOLEQXIMLH-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742198 695723693 /nfs/dbraw/zinc/72/36/93/695723693.db2.gz MRIWOOLEQXIMLH-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974754633 695727031 /nfs/dbraw/zinc/72/70/31/695727031.db2.gz SPPIABRZEXEFJG-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974754633 695727032 /nfs/dbraw/zinc/72/70/32/695727032.db2.gz SPPIABRZEXEFJG-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042214 695783783 /nfs/dbraw/zinc/78/37/83/695783783.db2.gz OKBYISWYSWPLNO-ZFWWWQNUSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042214 695783786 /nfs/dbraw/zinc/78/37/86/695783786.db2.gz OKBYISWYSWPLNO-ZFWWWQNUSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975043697 695784371 /nfs/dbraw/zinc/78/43/71/695784371.db2.gz FVJUSHLAENPYNH-IIAWOOMASA-N 2 2 314.433 1.374 20 30 DDEDLP 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320.481 1.502 20 30 DDEDLP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852100390 703923016 /nfs/dbraw/zinc/92/30/16/703923016.db2.gz XCMHHEQLGWEUDF-LJQANCHMSA-N 2 2 313.445 1.722 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@@H]2CC2(F)F)cc1 ZINC000853673241 704297171 /nfs/dbraw/zinc/29/71/71/704297171.db2.gz CBMLVJYXWQHRJC-CYBMUJFWSA-N 2 2 313.348 1.809 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820654333 704315528 /nfs/dbraw/zinc/31/55/28/704315528.db2.gz JMOMBDIHHGSHNN-RDJZCZTQSA-N 2 2 320.481 1.598 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820654333 704315530 /nfs/dbraw/zinc/31/55/30/704315530.db2.gz JMOMBDIHHGSHNN-RDJZCZTQSA-N 2 2 320.481 1.598 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000821212735 704381324 /nfs/dbraw/zinc/38/13/24/704381324.db2.gz GWFUEONIRSXUTP-UHFFFAOYSA-N 2 2 308.451 1.024 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000821212735 704381327 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ZINC000961255858 716884006 /nfs/dbraw/zinc/88/40/06/716884006.db2.gz VVIXAWYRXVZYEK-GJZGRUSLSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903076 718702693 /nfs/dbraw/zinc/70/26/93/718702693.db2.gz ASKIZRUMGHNDBP-HOCLYGCPSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903076 718702695 /nfs/dbraw/zinc/70/26/95/718702695.db2.gz ASKIZRUMGHNDBP-HOCLYGCPSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461085 719599702 /nfs/dbraw/zinc/59/97/02/719599702.db2.gz ZYRMFJSTPVMZPD-IAGOWNOFSA-N 2 2 305.466 1.568 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654537 719718708 /nfs/dbraw/zinc/71/87/08/719718708.db2.gz BCZGXPPDIIHMTL-FZMZJTMJSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654537 719718712 /nfs/dbraw/zinc/71/87/12/719718712.db2.gz 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ZINC000969994360 720590424 /nfs/dbraw/zinc/59/04/24/720590424.db2.gz XTOKPZDVCGDBAK-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950433395 720630484 /nfs/dbraw/zinc/63/04/84/720630484.db2.gz CWGUMWUJDACGIF-CQSZACIVSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000950534485 720672745 /nfs/dbraw/zinc/67/27/45/720672745.db2.gz WVLNMHZIFHXPPY-KRWDZBQOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000950534485 720672747 /nfs/dbraw/zinc/67/27/47/720672747.db2.gz WVLNMHZIFHXPPY-KRWDZBQOSA-N 2 2 305.466 1.663 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970440949 720762704 /nfs/dbraw/zinc/76/27/04/720762704.db2.gz XVCCEGGJJIUEGC-NWANDNLSSA-N 2 2 302.422 1.536 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027575467 738421576 /nfs/dbraw/zinc/42/15/76/738421576.db2.gz YKXGMVZWMKHKJE-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027575467 738421577 /nfs/dbraw/zinc/42/15/77/738421577.db2.gz YKXGMVZWMKHKJE-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691663 738555507 /nfs/dbraw/zinc/55/55/07/738555507.db2.gz RMEWMHWTQDAELR-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691663 738555508 /nfs/dbraw/zinc/55/55/08/738555508.db2.gz RMEWMHWTQDAELR-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001021088028 732937031 /nfs/dbraw/zinc/93/70/31/732937031.db2.gz KTZVVDYBNAIDRR-SHTZXODSSA-N 2 2 319.474 1.919 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001021088028 732937033 /nfs/dbraw/zinc/93/70/33/732937033.db2.gz KTZVVDYBNAIDRR-SHTZXODSSA-N 2 2 319.474 1.919 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871235 738693404 /nfs/dbraw/zinc/69/34/04/738693404.db2.gz IOHPQSRCOSHTCV-NFOMZHRRSA-N 2 2 304.438 1.802 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224355 733280204 /nfs/dbraw/zinc/28/02/04/733280204.db2.gz FAYBBMMELQYILS-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001022273716 734465110 /nfs/dbraw/zinc/46/51/10/734465110.db2.gz ACLWOTGUJSSLKY-BETUJISGSA-N 2 2 310.829 1.916 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001022492852 734566469 /nfs/dbraw/zinc/56/64/69/734566469.db2.gz JPPZWYNRRZWRBD-XHSDSOJGSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001022492852 734566472 /nfs/dbraw/zinc/56/64/72/734566472.db2.gz JPPZWYNRRZWRBD-XHSDSOJGSA-N 2 2 309.454 1.300 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451458 735246464 /nfs/dbraw/zinc/24/64/64/735246464.db2.gz HYRGSWFIRYEYHA-LSDHHAIUSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451458 735246467 /nfs/dbraw/zinc/24/64/67/735246467.db2.gz HYRGSWFIRYEYHA-LSDHHAIUSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451458 735246470 /nfs/dbraw/zinc/24/64/70/735246470.db2.gz HYRGSWFIRYEYHA-LSDHHAIUSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451458 735246473 /nfs/dbraw/zinc/24/64/73/735246473.db2.gz HYRGSWFIRYEYHA-LSDHHAIUSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511506 735886207 /nfs/dbraw/zinc/88/62/07/735886207.db2.gz GOALYTGMVXLSLX-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511506 735886212 /nfs/dbraw/zinc/88/62/12/735886212.db2.gz GOALYTGMVXLSLX-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312210 736041851 /nfs/dbraw/zinc/04/18/51/736041851.db2.gz AWIGGGWZSYOTFU-DJIMGWMZSA-N 2 2 314.433 1.201 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087318776 736082467 /nfs/dbraw/zinc/08/24/67/736082467.db2.gz CZAQAGYKUAMSET-KBMXLJTQSA-N 2 2 300.406 1.122 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087318776 736082470 /nfs/dbraw/zinc/08/24/70/736082470.db2.gz CZAQAGYKUAMSET-KBMXLJTQSA-N 2 2 300.406 1.122 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273117 736403699 /nfs/dbraw/zinc/40/36/99/736403699.db2.gz OBWKTNZFJABEAN-IAGOWNOFSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273117 736403702 /nfs/dbraw/zinc/40/37/02/736403702.db2.gz OBWKTNZFJABEAN-IAGOWNOFSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097632 737526388 /nfs/dbraw/zinc/52/63/88/737526388.db2.gz UKPKKQRIFPWINK-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001027469410 738323732 /nfs/dbraw/zinc/32/37/32/738323732.db2.gz ZRKICYPKNIKCCM-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641978 739838042 /nfs/dbraw/zinc/83/80/42/739838042.db2.gz NWSIEBKOMQKEAO-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641978 739838044 /nfs/dbraw/zinc/83/80/44/739838044.db2.gz NWSIEBKOMQKEAO-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811036 740070839 /nfs/dbraw/zinc/07/08/39/740070839.db2.gz GPSJHKJRFGJCCJ-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811036 740070841 /nfs/dbraw/zinc/07/08/41/740070841.db2.gz GPSJHKJRFGJCCJ-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934205 740187055 /nfs/dbraw/zinc/18/70/55/740187055.db2.gz ZMMBFBMXCUVKAO-ZDUSSCGKSA-N 2 2 322.840 1.952 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934205 740187056 /nfs/dbraw/zinc/18/70/56/740187056.db2.gz ZMMBFBMXCUVKAO-ZDUSSCGKSA-N 2 2 322.840 1.952 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989055 740931450 /nfs/dbraw/zinc/93/14/50/740931450.db2.gz NQILESULGNRBDY-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989055 740931452 /nfs/dbraw/zinc/93/14/52/740931452.db2.gz NQILESULGNRBDY-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989055 740931456 /nfs/dbraw/zinc/93/14/56/740931456.db2.gz NQILESULGNRBDY-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105581194 742127242 /nfs/dbraw/zinc/12/72/42/742127242.db2.gz CZWBTMGGQFBMJC-MRXNPFEDSA-N 2 2 314.433 1.657 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966187 742287831 /nfs/dbraw/zinc/28/78/31/742287831.db2.gz RUXDTYMMVJKPIR-QLFBSQMISA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966187 742287836 /nfs/dbraw/zinc/28/78/36/742287836.db2.gz RUXDTYMMVJKPIR-QLFBSQMISA-N 2 2 300.406 1.164 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001185110206 744162068 /nfs/dbraw/zinc/16/20/68/744162068.db2.gz OOXNYYVXIIAOJO-NVXWUHKLSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001185110206 744162072 /nfs/dbraw/zinc/16/20/72/744162072.db2.gz OOXNYYVXIIAOJO-NVXWUHKLSA-N 2 2 321.465 1.396 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490463 744244669 /nfs/dbraw/zinc/24/46/69/744244669.db2.gz ASUNZEOBFYUTRH-HUUCEWRRSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992452166 744883573 /nfs/dbraw/zinc/88/35/73/744883573.db2.gz ZJBYMWNMHDARRG-NVXWUHKLSA-N 2 2 302.422 1.950 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992452166 744883576 /nfs/dbraw/zinc/88/35/76/744883576.db2.gz ZJBYMWNMHDARRG-NVXWUHKLSA-N 2 2 302.422 1.950 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486881 745224434 /nfs/dbraw/zinc/22/44/34/745224434.db2.gz PDFWWVDGARQPRI-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486881 745224439 /nfs/dbraw/zinc/22/44/39/745224439.db2.gz PDFWWVDGARQPRI-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C/C=C/Cl)C1 ZINC001190724970 745307283 /nfs/dbraw/zinc/30/72/83/745307283.db2.gz OIGYCMXLSPENQD-QKNOVVFDSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001190724970 745307289 /nfs/dbraw/zinc/30/72/89/745307289.db2.gz OIGYCMXLSPENQD-QKNOVVFDSA-N 2 2 309.841 1.369 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018523 745405278 /nfs/dbraw/zinc/40/52/78/745405278.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018523 745405282 /nfs/dbraw/zinc/40/52/82/745405282.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018523 745405285 /nfs/dbraw/zinc/40/52/85/745405285.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018523 745405289 /nfs/dbraw/zinc/40/52/89/745405289.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333068 745609877 /nfs/dbraw/zinc/60/98/77/745609877.db2.gz CHRMPPMOUWGLIQ-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342970 745616204 /nfs/dbraw/zinc/61/62/04/745616204.db2.gz KTRUSWIILGGOEA-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704159 746297414 /nfs/dbraw/zinc/29/74/14/746297414.db2.gz PVCJOODBBIEPQX-HOCLYGCPSA-N 2 2 317.433 1.947 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704159 746297415 /nfs/dbraw/zinc/29/74/15/746297415.db2.gz PVCJOODBBIEPQX-HOCLYGCPSA-N 2 2 317.433 1.947 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033115424 748411641 /nfs/dbraw/zinc/41/16/41/748411641.db2.gz MVTOJQNBYXBILM-AWEZNQCLSA-N 2 2 305.447 1.589 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033115424 748411645 /nfs/dbraw/zinc/41/16/45/748411645.db2.gz MVTOJQNBYXBILM-AWEZNQCLSA-N 2 2 305.447 1.589 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C#N)c3ccsc32)CC1 ZINC001168735857 748436790 /nfs/dbraw/zinc/43/67/90/748436790.db2.gz GXCIFLHEUCYJCX-UHFFFAOYSA-N 2 2 300.391 1.762 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153510 748648216 /nfs/dbraw/zinc/64/82/16/748648216.db2.gz VURGWMFXPKFKEG-GJZGRUSLSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153510 748648218 /nfs/dbraw/zinc/64/82/18/748648218.db2.gz VURGWMFXPKFKEG-GJZGRUSLSA-N 2 2 300.406 1.317 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881317 748669280 /nfs/dbraw/zinc/66/92/80/748669280.db2.gz QXVHJELFSGJYNB-JONQDZQNSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881317 748669283 /nfs/dbraw/zinc/66/92/83/748669283.db2.gz QXVHJELFSGJYNB-JONQDZQNSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577599 748729337 /nfs/dbraw/zinc/72/93/37/748729337.db2.gz QRDZBAFYUHTHKK-JJXSEGSLSA-N 2 2 314.433 1.751 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577599 748729345 /nfs/dbraw/zinc/72/93/45/748729345.db2.gz QRDZBAFYUHTHKK-JJXSEGSLSA-N 2 2 314.433 1.751 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578981 749556404 /nfs/dbraw/zinc/55/64/04/749556404.db2.gz KMNKIPWKAPJKGR-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578981 749556407 /nfs/dbraw/zinc/55/64/07/749556407.db2.gz KMNKIPWKAPJKGR-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996480168 749615042 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C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771551 774562127 /nfs/dbraw/zinc/56/21/27/774562127.db2.gz JEDJMMGLBYXVKP-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771551 774562129 /nfs/dbraw/zinc/56/21/29/774562129.db2.gz JEDJMMGLBYXVKP-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036786122 774612857 /nfs/dbraw/zinc/61/28/57/774612857.db2.gz QCRIMOFTCLECOQ-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036786122 774612860 /nfs/dbraw/zinc/61/28/60/774612860.db2.gz QCRIMOFTCLECOQ-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106565 774838601 /nfs/dbraw/zinc/83/86/01/774838601.db2.gz IYRWBADVMKRQGD-INIZCTEOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106565 774838604 /nfs/dbraw/zinc/83/86/04/774838604.db2.gz IYRWBADVMKRQGD-INIZCTEOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106565 774838607 /nfs/dbraw/zinc/83/86/07/774838607.db2.gz IYRWBADVMKRQGD-INIZCTEOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106565 774838611 /nfs/dbraw/zinc/83/86/11/774838611.db2.gz IYRWBADVMKRQGD-INIZCTEOSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157910 774868723 /nfs/dbraw/zinc/86/87/23/774868723.db2.gz BELMASWEFTUXAZ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157910 774868732 /nfs/dbraw/zinc/86/87/32/774868732.db2.gz BELMASWEFTUXAZ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899969 775399714 /nfs/dbraw/zinc/39/97/14/775399714.db2.gz ZFSVQTNFALEVGH-CHWSQXEVSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899969 775399720 /nfs/dbraw/zinc/39/97/20/775399720.db2.gz ZFSVQTNFALEVGH-CHWSQXEVSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899969 775399724 /nfs/dbraw/zinc/39/97/24/775399724.db2.gz ZFSVQTNFALEVGH-CHWSQXEVSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899969 775399728 /nfs/dbraw/zinc/39/97/28/775399728.db2.gz ZFSVQTNFALEVGH-CHWSQXEVSA-N 2 2 317.861 1.021 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461225 776186997 /nfs/dbraw/zinc/18/69/97/776186997.db2.gz PJDDAQPILSAJOA-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686771 776439031 /nfs/dbraw/zinc/43/90/31/776439031.db2.gz RHHBZLDWLRHHBC-QDIHITRGSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001171917619 776518371 /nfs/dbraw/zinc/51/83/71/776518371.db2.gz AZMPABWGIVVIMS-IRXDYDNUSA-N 2 2 323.481 1.385 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001171917619 776518373 /nfs/dbraw/zinc/51/83/73/776518373.db2.gz AZMPABWGIVVIMS-IRXDYDNUSA-N 2 2 323.481 1.385 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176393619 778137549 /nfs/dbraw/zinc/13/75/49/778137549.db2.gz RTLJHKZUPGAFEM-OAHLLOKOSA-N 2 2 304.438 1.641 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179622843 779440084 /nfs/dbraw/zinc/44/00/84/779440084.db2.gz SJTJJKJXGBJJKU-JYJNAYRXSA-N 2 2 320.437 1.616 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001179836131 779502894 /nfs/dbraw/zinc/50/28/94/779502894.db2.gz FBAUCIBOWMDPPU-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331934 779724047 /nfs/dbraw/zinc/72/40/47/779724047.db2.gz YIRWCJDAOMEPDI-YOEHRIQHSA-N 2 2 302.422 1.747 20 30 DDEDLP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266600547 836519599 /nfs/dbraw/zinc/51/95/99/836519599.db2.gz YOZSGLNKGXVGSL-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266600547 836519602 /nfs/dbraw/zinc/51/96/02/836519602.db2.gz YOZSGLNKGXVGSL-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266795486 836846728 /nfs/dbraw/zinc/84/67/28/836846728.db2.gz KSGHALUDNGOMMO-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001266950065 837101790 /nfs/dbraw/zinc/10/17/90/837101790.db2.gz LUFGGHHAQMTRGB-QAPCUYQASA-N 2 2 324.428 1.250 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001266950065 837101797 /nfs/dbraw/zinc/10/17/97/837101797.db2.gz LUFGGHHAQMTRGB-QAPCUYQASA-N 2 2 324.428 1.250 20 30 DDEDLP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001267857133 839085260 /nfs/dbraw/zinc/08/52/60/839085260.db2.gz UOONCWILDNWTKH-KSSFIOAISA-N 2 2 314.433 1.343 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001268045416 839585221 /nfs/dbraw/zinc/58/52/21/839585221.db2.gz IAHBBUISLUCLQL-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001268175698 839795822 /nfs/dbraw/zinc/79/58/22/839795822.db2.gz WTTGMHJNZWEWRY-JKSUJKDBSA-N 2 2 316.449 1.593 20 30 DDEDLP N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001268547608 840427788 /nfs/dbraw/zinc/42/77/88/840427788.db2.gz IAZCJBNXPOYUJN-OWOJBTEDSA-N 2 2 323.400 1.676 20 30 DDEDLP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001270998674 843121087 /nfs/dbraw/zinc/12/10/87/843121087.db2.gz HJJNSYKSXYMRGD-DOTOQJQBSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001270998674 843121097 /nfs/dbraw/zinc/12/10/97/843121097.db2.gz HJJNSYKSXYMRGD-DOTOQJQBSA-N 2 2 302.422 1.686 20 30 DDEDLP N#Cc1cc2c(nc1-n1c[nH+]cc1C1CC[NH2+]CC1)CCOC2 ZINC001155062790 861694387 /nfs/dbraw/zinc/69/43/87/861694387.db2.gz HWCBNXPOIJZDPA-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP CC#CC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001273076047 847873096 /nfs/dbraw/zinc/87/30/96/847873096.db2.gz POUQPUBPNWUBBK-OAHLLOKOSA-N 2 2 312.417 1.693 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278038 848236343 /nfs/dbraw/zinc/23/63/43/848236343.db2.gz GMKAIRPGMLOMKV-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278038 848236346 /nfs/dbraw/zinc/23/63/46/848236346.db2.gz GMKAIRPGMLOMKV-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328003724 862627711 /nfs/dbraw/zinc/62/77/11/862627711.db2.gz FJGXXKHATHNQHJ-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151340075 862737368 /nfs/dbraw/zinc/73/73/68/862737368.db2.gz PXNGJIOMDRYIGX-UHFFFAOYSA-N 2 2 320.437 1.516 20 30 DDEDLP C[NH+](C)C1(CNc2ccc3c(C#N)c[nH]c3n2)CC[NH+](C)CC1 ZINC001156182444 862785470 /nfs/dbraw/zinc/78/54/70/862785470.db2.gz TZSYDFZQOCWVKQ-UHFFFAOYSA-N 2 2 312.421 1.872 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335948 862945230 /nfs/dbraw/zinc/94/52/30/862945230.db2.gz UOPVTBCNDTUBBL-CQSZACIVSA-N 2 2 311.389 1.341 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335948 862945239 /nfs/dbraw/zinc/94/52/39/862945239.db2.gz UOPVTBCNDTUBBL-CQSZACIVSA-N 2 2 311.389 1.341 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072848768 857794923 /nfs/dbraw/zinc/79/49/23/857794923.db2.gz JVYRXOMNBOGODF-UHFFFAOYSA-N 2 2 314.433 1.484 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072848768 857794929 /nfs/dbraw/zinc/79/49/29/857794929.db2.gz JVYRXOMNBOGODF-UHFFFAOYSA-N 2 2 314.433 1.484 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864922 857818009 /nfs/dbraw/zinc/81/80/09/857818009.db2.gz WOJASKLBVICJSH-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864922 857818018 /nfs/dbraw/zinc/81/80/18/857818018.db2.gz WOJASKLBVICJSH-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CCOCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835695 858608694 /nfs/dbraw/zinc/60/86/94/858608694.db2.gz SZFIBIIHWJBIHD-UHFFFAOYSA-N 2 2 318.421 1.172 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(NC)c2)CC1 ZINC001123597190 859319805 /nfs/dbraw/zinc/31/98/05/859319805.db2.gz ZSBXTNZUCUOGCD-UHFFFAOYSA-N 2 2 317.437 1.963 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224804328 881543164 /nfs/dbraw/zinc/54/31/64/881543164.db2.gz DZCNNCSVRXQRHN-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224804328 881543176 /nfs/dbraw/zinc/54/31/76/881543176.db2.gz DZCNNCSVRXQRHN-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330403774 864313498 /nfs/dbraw/zinc/31/34/98/864313498.db2.gz LZDRJAGZQCXZBW-LSDHHAIUSA-N 2 2 320.437 1.318 20 30 DDEDLP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001331476433 865109696 /nfs/dbraw/zinc/10/96/96/865109696.db2.gz VMILILAFPNIONE-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001331490110 865113988 /nfs/dbraw/zinc/11/39/88/865113988.db2.gz ONNNLKPRDGAPFS-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NC2CC2)cc[nH+]1 ZINC001159918877 865596343 /nfs/dbraw/zinc/59/63/43/865596343.db2.gz JCUHLACDTAFDRR-ZDUSSCGKSA-N 2 2 319.409 1.690 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001320147541 866511081 /nfs/dbraw/zinc/51/10/81/866511081.db2.gz PYWIFENESBAWJS-GDBMZVCRSA-N 2 2 315.417 1.531 20 30 DDEDLP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320780801 867022657 /nfs/dbraw/zinc/02/26/57/867022657.db2.gz ZCHGJIIDZJINKK-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP COCCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325010630 867695076 /nfs/dbraw/zinc/69/50/76/867695076.db2.gz CMZQZODKMKMHGY-UHFFFAOYSA-N 2 2 308.401 1.538 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001325581105 868154894 /nfs/dbraw/zinc/15/48/94/868154894.db2.gz KVUOXCZKHBUFFF-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001325597677 868167757 /nfs/dbraw/zinc/16/77/57/868167757.db2.gz XCPYIUAEBRVXLJ-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283198 868306164 /nfs/dbraw/zinc/30/61/64/868306164.db2.gz KADRWZKGXMCLRU-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163283198 868306183 /nfs/dbraw/zinc/30/61/83/868306183.db2.gz KADRWZKGXMCLRU-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001163589177 868548816 /nfs/dbraw/zinc/54/88/16/868548816.db2.gz WNMWOVAIHJQFLT-UHFFFAOYSA-N 2 2 310.401 1.421 20 30 DDEDLP C=CCCSCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336142985 868755547 /nfs/dbraw/zinc/75/55/47/868755547.db2.gz QGDAKJQZLQDCGJ-UHFFFAOYSA-N 2 2 300.472 1.018 20 30 DDEDLP CCc1nc(C#N)cc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164211789 869019642 /nfs/dbraw/zinc/01/96/42/869019642.db2.gz TZXLBNHLGMVUOS-UHFFFAOYSA-N 2 2 302.426 1.349 20 30 DDEDLP COC(=O)C1([NH3+])CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001166797499 870261908 /nfs/dbraw/zinc/26/19/08/870261908.db2.gz QFDPXOXZSHMNBG-UHFFFAOYSA-N 2 2 310.357 1.577 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961532 870425538 /nfs/dbraw/zinc/42/55/38/870425538.db2.gz RCLDMWHIDSQHBK-RRFJBIMHSA-N 2 2 304.438 1.974 20 30 DDEDLP Cn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)CC3)cc1C#N ZINC001276463669 871103229 /nfs/dbraw/zinc/10/32/29/871103229.db2.gz ZGCRPGZYDDFVSN-UHFFFAOYSA-N 2 2 315.465 1.356 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842416 871578150 /nfs/dbraw/zinc/57/81/50/871578150.db2.gz QOKCKGPVHVEYHD-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842416 871578174 /nfs/dbraw/zinc/57/81/74/871578174.db2.gz QOKCKGPVHVEYHD-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556075 871628228 /nfs/dbraw/zinc/62/82/28/871628228.db2.gz JRMNUHSUUYQTBI-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001318205333 871828667 /nfs/dbraw/zinc/82/86/67/871828667.db2.gz DVSFCGGKYRVVRK-HOTGVXAUSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001318205333 871828682 /nfs/dbraw/zinc/82/86/82/871828682.db2.gz DVSFCGGKYRVVRK-HOTGVXAUSA-N 2 2 303.450 1.417 20 30 DDEDLP C=CC[N@H+](CC)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001316893046 872254064 /nfs/dbraw/zinc/25/40/64/872254064.db2.gz HPHKEYSWVUKQAT-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[N@@H+](CC)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001316893046 872254073 /nfs/dbraw/zinc/25/40/73/872254073.db2.gz HPHKEYSWVUKQAT-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[NH+](CC)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001316893046 872254082 /nfs/dbraw/zinc/25/40/82/872254082.db2.gz HPHKEYSWVUKQAT-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[NH+](CC)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001316893046 872254090 /nfs/dbraw/zinc/25/40/90/872254090.db2.gz HPHKEYSWVUKQAT-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001206792659 872589476 /nfs/dbraw/zinc/58/94/76/872589476.db2.gz LLPOHKPBYADHNK-QGZVFWFLSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001206792659 872589482 /nfs/dbraw/zinc/58/94/82/872589482.db2.gz LLPOHKPBYADHNK-QGZVFWFLSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001319516315 872670871 /nfs/dbraw/zinc/67/08/71/872670871.db2.gz WUHLMFJZADJPSS-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001319516315 872670880 /nfs/dbraw/zinc/67/08/80/872670880.db2.gz WUHLMFJZADJPSS-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439240 874143979 /nfs/dbraw/zinc/14/39/79/874143979.db2.gz ORPWRZZHTWDQKA-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450760 874152783 /nfs/dbraw/zinc/15/27/83/874152783.db2.gz KNZCXWYKEPAIQS-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227127376 882858365 /nfs/dbraw/zinc/85/83/65/882858365.db2.gz HGHHTFMJPMQJFN-DJIMGWMZSA-N 2 2 314.433 1.486 20 30 DDEDLP C#CCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209267384 874765456 /nfs/dbraw/zinc/76/54/56/874765456.db2.gz OVTILWGCMZJIOL-MRXNPFEDSA-N 2 2 315.465 1.421 20 30 DDEDLP C#CCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@H]1C ZINC001209267384 874765465 /nfs/dbraw/zinc/76/54/65/874765465.db2.gz OVTILWGCMZJIOL-MRXNPFEDSA-N 2 2 315.465 1.421 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001379159405 876535743 /nfs/dbraw/zinc/53/57/43/876535743.db2.gz BKISPIVGSYYWLQ-KGLIPLIRSA-N 2 2 310.829 1.900 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859335 877086241 /nfs/dbraw/zinc/08/62/41/877086241.db2.gz NSAHQUNDMFPLRL-DJIMGWMZSA-N 2 2 314.433 1.144 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1 ZINC001219422983 878196409 /nfs/dbraw/zinc/19/64/09/878196409.db2.gz SUSQEPHKODUXRX-WBMJQRKESA-N 2 2 307.357 1.248 20 30 DDEDLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380023439 878595156 /nfs/dbraw/zinc/59/51/56/878595156.db2.gz RXKMUUFQCMJMQE-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380023439 878595175 /nfs/dbraw/zinc/59/51/75/878595175.db2.gz RXKMUUFQCMJMQE-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380023439 878595194 /nfs/dbraw/zinc/59/51/94/878595194.db2.gz RXKMUUFQCMJMQE-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380023439 878595210 /nfs/dbraw/zinc/59/52/10/878595210.db2.gz RXKMUUFQCMJMQE-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001356074692 878857598 /nfs/dbraw/zinc/85/75/98/878857598.db2.gz IUWMQNKDBBGXEM-LSDHHAIUSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001356074692 878857609 /nfs/dbraw/zinc/85/76/09/878857609.db2.gz IUWMQNKDBBGXEM-LSDHHAIUSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001356074692 878857619 /nfs/dbraw/zinc/85/76/19/878857619.db2.gz IUWMQNKDBBGXEM-LSDHHAIUSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001356074692 878857629 /nfs/dbraw/zinc/85/76/29/878857629.db2.gz IUWMQNKDBBGXEM-LSDHHAIUSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603376 879967412 /nfs/dbraw/zinc/96/74/12/879967412.db2.gz GHXGETJEKBHMAN-GDBMZVCRSA-N 2 2 318.421 1.078 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873279 880125762 /nfs/dbraw/zinc/12/57/62/880125762.db2.gz VQXBBSYSMDHQNV-HZPDHXFCSA-N 2 2 300.406 1.138 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873279 880125765 /nfs/dbraw/zinc/12/57/65/880125765.db2.gz VQXBBSYSMDHQNV-HZPDHXFCSA-N 2 2 300.406 1.138 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227868613 883208383 /nfs/dbraw/zinc/20/83/83/883208383.db2.gz VUTMBVZHOMKLTB-HUUCEWRRSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227868613 883208393 /nfs/dbraw/zinc/20/83/93/883208393.db2.gz VUTMBVZHOMKLTB-HUUCEWRRSA-N 2 2 318.421 1.296 20 30 DDEDLP CCC[N@H+](C)CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001277392987 884008692 /nfs/dbraw/zinc/00/86/92/884008692.db2.gz BOJXRPBWFOOCIU-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001277392987 884008699 /nfs/dbraw/zinc/00/86/99/884008699.db2.gz BOJXRPBWFOOCIU-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001277392987 884008711 /nfs/dbraw/zinc/00/87/11/884008711.db2.gz BOJXRPBWFOOCIU-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001277392987 884008725 /nfs/dbraw/zinc/00/87/25/884008725.db2.gz BOJXRPBWFOOCIU-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(O)c1 ZINC001233386916 886967252 /nfs/dbraw/zinc/96/72/52/886967252.db2.gz NKBQQQCLBVZMFM-UHFFFAOYSA-N 2 2 314.433 1.477 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCOCC ZINC001235471668 888665780 /nfs/dbraw/zinc/66/57/80/888665780.db2.gz OWYCPQIJNOOVKS-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCOCC ZINC001235471668 888665789 /nfs/dbraw/zinc/66/57/89/888665789.db2.gz OWYCPQIJNOOVKS-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOCC ZINC001235471668 888665797 /nfs/dbraw/zinc/66/57/97/888665797.db2.gz OWYCPQIJNOOVKS-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOCC ZINC001235471668 888665803 /nfs/dbraw/zinc/66/58/03/888665803.db2.gz OWYCPQIJNOOVKS-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151243 892446651 /nfs/dbraw/zinc/44/66/51/892446651.db2.gz WTVCDNIUMCIDER-CRAIPNDOSA-N 3 2 312.461 1.953 20 30 DDEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246335904 892547792 /nfs/dbraw/zinc/54/77/92/892547792.db2.gz KARPAQHNHLYFMP-CVEARBPZSA-N 2 2 302.397 1.638 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252594775 895296061 /nfs/dbraw/zinc/29/60/61/895296061.db2.gz BLKSMHQQGPIHJL-BZSNNMDCSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCOC(=O)N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682066 897088234 /nfs/dbraw/zinc/08/82/34/897088234.db2.gz IRPMLOZCINIXFK-XYPWUTKMSA-N 2 2 307.438 1.942 20 30 DDEDLP C=CCOC(=O)N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682066 897088240 /nfs/dbraw/zinc/08/82/40/897088240.db2.gz IRPMLOZCINIXFK-XYPWUTKMSA-N 2 2 307.438 1.942 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001263820525 900735348 /nfs/dbraw/zinc/73/53/48/900735348.db2.gz ALRJRTXZQJYKPA-DLBZAZTESA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001263820525 900735357 /nfs/dbraw/zinc/73/53/57/900735357.db2.gz ALRJRTXZQJYKPA-DLBZAZTESA-N 2 2 305.466 1.663 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001263957501 900841878 /nfs/dbraw/zinc/84/18/78/900841878.db2.gz FFZOWLHCYOQKRU-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705633 902322496 /nfs/dbraw/zinc/32/24/96/902322496.db2.gz LHHNQTNTCFZCNR-HZPDHXFCSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705633 902322509 /nfs/dbraw/zinc/32/25/09/902322509.db2.gz LHHNQTNTCFZCNR-HZPDHXFCSA-N 2 2 302.422 1.513 20 30 DDEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001265806388 902423595 /nfs/dbraw/zinc/42/35/95/902423595.db2.gz CQOMAXTZKOSNJU-MRXNPFEDSA-N 2 2 310.401 1.419 20 30 DDEDLP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266057214 902854778 /nfs/dbraw/zinc/85/47/78/902854778.db2.gz AISDUZMKGWKJAS-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266057214 902854784 /nfs/dbraw/zinc/85/47/84/902854784.db2.gz AISDUZMKGWKJAS-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001279237308 903201684 /nfs/dbraw/zinc/20/16/84/903201684.db2.gz UCLBKGJTLYDQQH-MUJYYYPQSA-N 2 2 300.406 1.266 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001279237308 903201704 /nfs/dbraw/zinc/20/17/04/903201704.db2.gz UCLBKGJTLYDQQH-MUJYYYPQSA-N 2 2 300.406 1.266 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001280218144 903554985 /nfs/dbraw/zinc/55/49/85/903554985.db2.gz BKTHBBZKSIZXPB-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001280218144 903554995 /nfs/dbraw/zinc/55/49/95/903554995.db2.gz BKTHBBZKSIZXPB-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001393821252 908010235 /nfs/dbraw/zinc/01/02/35/908010235.db2.gz JBAUDPBNXKICOO-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284725692 909401529 /nfs/dbraw/zinc/40/15/29/909401529.db2.gz CAMJQMHWLLNOLT-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284725692 909401533 /nfs/dbraw/zinc/40/15/33/909401533.db2.gz CAMJQMHWLLNOLT-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001373531986 910105907 /nfs/dbraw/zinc/10/59/07/910105907.db2.gz LZNRADRDDNLDHR-AWEZNQCLSA-N 2 2 301.862 1.907 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000332905475 539313928 /nfs/dbraw/zinc/31/39/28/539313928.db2.gz SFFCWYGMSHDXPC-HOCLYGCPSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000332905475 539313930 /nfs/dbraw/zinc/31/39/30/539313930.db2.gz SFFCWYGMSHDXPC-HOCLYGCPSA-N 2 2 321.469 1.346 20 30 DDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029500 529861428 /nfs/dbraw/zinc/86/14/28/529861428.db2.gz INVISWOTGVAXFN-HNNXBMFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029500 529861430 /nfs/dbraw/zinc/86/14/30/529861430.db2.gz INVISWOTGVAXFN-HNNXBMFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029500 529861431 /nfs/dbraw/zinc/86/14/31/529861431.db2.gz INVISWOTGVAXFN-HNNXBMFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029500 529861433 /nfs/dbraw/zinc/86/14/33/529861433.db2.gz INVISWOTGVAXFN-HNNXBMFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000057153235 352801420 /nfs/dbraw/zinc/80/14/20/352801420.db2.gz VCNVDXXMYVDNNZ-UHFFFAOYSA-N 2 2 310.401 1.338 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000060856842 352881024 /nfs/dbraw/zinc/88/10/24/352881024.db2.gz NDSAEMASZNEPNX-INIZCTEOSA-N 2 2 303.406 1.324 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636362 353685533 /nfs/dbraw/zinc/68/55/33/353685533.db2.gz DYRLIIHTXOHSTP-DZGCQCFKSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636362 353685535 /nfs/dbraw/zinc/68/55/35/353685535.db2.gz DYRLIIHTXOHSTP-DZGCQCFKSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636362 353685536 /nfs/dbraw/zinc/68/55/36/353685536.db2.gz DYRLIIHTXOHSTP-DZGCQCFKSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636362 353685537 /nfs/dbraw/zinc/68/55/37/353685537.db2.gz DYRLIIHTXOHSTP-DZGCQCFKSA-N 2 2 322.453 1.050 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579489614 354719641 /nfs/dbraw/zinc/71/96/41/354719641.db2.gz AUBVXBXICFVTSE-KEYYUXOJSA-N 2 2 317.437 1.652 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579489614 354719643 /nfs/dbraw/zinc/71/96/43/354719643.db2.gz AUBVXBXICFVTSE-KEYYUXOJSA-N 2 2 317.437 1.652 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000591765466 355380258 /nfs/dbraw/zinc/38/02/58/355380258.db2.gz CIUXYGRDKYNFHQ-RRLIJXGGSA-N 2 2 309.454 1.376 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000591765466 355380260 /nfs/dbraw/zinc/38/02/60/355380260.db2.gz CIUXYGRDKYNFHQ-RRLIJXGGSA-N 2 2 309.454 1.376 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000593881762 356039179 /nfs/dbraw/zinc/03/91/79/356039179.db2.gz ACPUNWLXJWZOCB-UHFFFAOYSA-N 2 2 323.400 1.536 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000330225910 283164929 /nfs/dbraw/zinc/16/49/29/283164929.db2.gz UDXUAZCPKRSMES-YOEHRIQHSA-N 2 2 317.437 1.702 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000330225910 283164933 /nfs/dbraw/zinc/16/49/33/283164933.db2.gz UDXUAZCPKRSMES-YOEHRIQHSA-N 2 2 317.437 1.702 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600732664 358300501 /nfs/dbraw/zinc/30/05/01/358300501.db2.gz UKRMCBQSMSGODN-MRXNPFEDSA-N 2 2 303.406 1.594 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602479950 359006269 /nfs/dbraw/zinc/00/62/69/359006269.db2.gz CMJVNGCTSZYWKQ-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602479950 359006272 /nfs/dbraw/zinc/00/62/72/359006272.db2.gz CMJVNGCTSZYWKQ-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000611270299 360685266 /nfs/dbraw/zinc/68/52/66/360685266.db2.gz ABIKPLTUJRROEB-OAHLLOKOSA-N 2 2 304.463 1.832 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000611270299 360685270 /nfs/dbraw/zinc/68/52/70/360685270.db2.gz ABIKPLTUJRROEB-OAHLLOKOSA-N 2 2 304.463 1.832 20 30 DDEDLP [O-]C(NC[C@@H]1CCCn2cc[nH+]c21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330195991 223085976 /nfs/dbraw/zinc/08/59/76/223085976.db2.gz PNPUNBKNWOAMNF-QWHCGFSZSA-N 2 2 314.393 1.476 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000330195991 223085978 /nfs/dbraw/zinc/08/59/78/223085978.db2.gz PNPUNBKNWOAMNF-QWHCGFSZSA-N 2 2 314.393 1.476 20 30 DDEDLP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264968981 204313756 /nfs/dbraw/zinc/31/37/56/204313756.db2.gz QLFOBUANHVFZFW-QGZVFWFLSA-N 2 2 315.417 1.128 20 30 DDEDLP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264968981 204313760 /nfs/dbraw/zinc/31/37/60/204313760.db2.gz QLFOBUANHVFZFW-QGZVFWFLSA-N 2 2 315.417 1.128 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450192 284348932 /nfs/dbraw/zinc/34/89/32/284348932.db2.gz OIZYRUOUSYPBKJ-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450192 284348933 /nfs/dbraw/zinc/34/89/33/284348933.db2.gz OIZYRUOUSYPBKJ-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450192 284348934 /nfs/dbraw/zinc/34/89/34/284348934.db2.gz OIZYRUOUSYPBKJ-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450192 284348935 /nfs/dbraw/zinc/34/89/35/284348935.db2.gz OIZYRUOUSYPBKJ-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860132 406944521 /nfs/dbraw/zinc/94/45/21/406944521.db2.gz DMFYVVWFCSQVJN-KGLIPLIRSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860132 406944523 /nfs/dbraw/zinc/94/45/23/406944523.db2.gz DMFYVVWFCSQVJN-KGLIPLIRSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860132 406944527 /nfs/dbraw/zinc/94/45/27/406944527.db2.gz DMFYVVWFCSQVJN-KGLIPLIRSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860132 406944529 /nfs/dbraw/zinc/94/45/29/406944529.db2.gz DMFYVVWFCSQVJN-KGLIPLIRSA-N 2 2 310.442 1.193 20 30 DDEDLP CCc1ccc([C@H](CNC(=[NH2+])N[C@H](C)COC)[NH+](C)C)cc1 ZINC000104155520 407348632 /nfs/dbraw/zinc/34/86/32/407348632.db2.gz LJWAPIUZGNHTNH-CJNGLKHVSA-N 2 2 306.454 1.791 20 30 DDEDLP CCNC(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000268719834 408173653 /nfs/dbraw/zinc/17/36/53/408173653.db2.gz NZQGVEVEDJVSPU-UHFFFAOYSA-N 2 2 309.845 1.386 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C#N)cc2)CC1 ZINC000177130718 408527909 /nfs/dbraw/zinc/52/79/09/408527909.db2.gz PQLUXIZDGWGHSW-UHFFFAOYSA-N 2 2 300.406 1.314 20 30 DDEDLP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000281765656 408925755 /nfs/dbraw/zinc/92/57/55/408925755.db2.gz RZWIOEBNAPRAFP-AWEZNQCLSA-N 2 2 303.406 1.625 20 30 DDEDLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1C#N ZINC000282229581 409016096 /nfs/dbraw/zinc/01/60/96/409016096.db2.gz ILTJLXHPCXEWFJ-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1C#N ZINC000282229581 409016097 /nfs/dbraw/zinc/01/60/97/409016097.db2.gz ILTJLXHPCXEWFJ-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331537032 409615683 /nfs/dbraw/zinc/61/56/83/409615683.db2.gz DSHLCKZLAHBMNB-IAGOWNOFSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331537032 409615685 /nfs/dbraw/zinc/61/56/85/409615685.db2.gz DSHLCKZLAHBMNB-IAGOWNOFSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331537032 409615689 /nfs/dbraw/zinc/61/56/89/409615689.db2.gz DSHLCKZLAHBMNB-IAGOWNOFSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331537032 409615691 /nfs/dbraw/zinc/61/56/91/409615691.db2.gz DSHLCKZLAHBMNB-IAGOWNOFSA-N 2 2 306.454 1.459 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297487861 409919373 /nfs/dbraw/zinc/91/93/73/409919373.db2.gz NCBRYVNOOJLXNN-JKSUJKDBSA-N 2 2 317.437 1.431 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297487861 409919378 /nfs/dbraw/zinc/91/93/78/409919378.db2.gz NCBRYVNOOJLXNN-JKSUJKDBSA-N 2 2 317.437 1.431 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000328771263 409976685 /nfs/dbraw/zinc/97/66/85/409976685.db2.gz CWVSHKQUMPIBSR-KFWWJZLASA-N 2 2 317.437 1.647 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000328771263 409976690 /nfs/dbraw/zinc/97/66/90/409976690.db2.gz CWVSHKQUMPIBSR-KFWWJZLASA-N 2 2 317.437 1.647 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000328916252 410010498 /nfs/dbraw/zinc/01/04/98/410010498.db2.gz RFEWPVUNPYMAQE-CYBMUJFWSA-N 2 2 305.426 1.317 20 30 DDEDLP O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000328858885 409995003 /nfs/dbraw/zinc/99/50/03/409995003.db2.gz YLIPIYBWYDRKGQ-HUUCEWRRSA-N 2 2 320.437 1.620 20 30 DDEDLP CC(C)(CNC(=O)N1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000330040596 410525684 /nfs/dbraw/zinc/52/56/84/410525684.db2.gz CMLBWOPCQBWODO-UHFFFAOYSA-N 2 2 305.426 1.735 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331426710 411085392 /nfs/dbraw/zinc/08/53/92/411085392.db2.gz BRZHWWFFRCFEOL-KGLIPLIRSA-N 2 2 319.453 1.241 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331426710 411085395 /nfs/dbraw/zinc/08/53/95/411085395.db2.gz BRZHWWFFRCFEOL-KGLIPLIRSA-N 2 2 319.453 1.241 20 30 DDEDLP CC[NH+]=C(NC[C@](C)(O)CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245647444 222217275 /nfs/dbraw/zinc/21/72/75/222217275.db2.gz UHGZNVSCVUBKJQ-YQQAZPJKSA-N 2 2 321.469 1.893 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N(C)Cc1cccn1C ZINC000261664650 222254071 /nfs/dbraw/zinc/25/40/71/222254071.db2.gz BFKOVSNZHLAORA-UHFFFAOYSA-N 2 2 321.469 1.143 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N(C)Cc1cccn1C ZINC000261664650 222254074 /nfs/dbraw/zinc/25/40/74/222254074.db2.gz BFKOVSNZHLAORA-UHFFFAOYSA-N 2 2 321.469 1.143 20 30 DDEDLP C#CCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367524626 418608090 /nfs/dbraw/zinc/60/80/90/418608090.db2.gz MXEYJTJSZVPIAL-INIZCTEOSA-N 2 2 320.481 1.600 20 30 DDEDLP C#CCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367524626 418608092 /nfs/dbraw/zinc/60/80/92/418608092.db2.gz MXEYJTJSZVPIAL-INIZCTEOSA-N 2 2 320.481 1.600 20 30 DDEDLP C=CC[C@@H](CC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370296349 418742759 /nfs/dbraw/zinc/74/27/59/418742759.db2.gz ZJNKJYDSRPXVBB-CABCVRRESA-N 2 2 308.470 1.809 20 30 DDEDLP C=CC[C@@H](CC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370296349 418742762 /nfs/dbraw/zinc/74/27/62/418742762.db2.gz ZJNKJYDSRPXVBB-CABCVRRESA-N 2 2 308.470 1.809 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000362298857 418751724 /nfs/dbraw/zinc/75/17/24/418751724.db2.gz MJSVZXPMFZHCQN-MRXNPFEDSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000362298857 418751725 /nfs/dbraw/zinc/75/17/25/418751725.db2.gz MJSVZXPMFZHCQN-MRXNPFEDSA-N 2 2 316.424 1.909 20 30 DDEDLP CN(C(=O)NCCCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364278985 418774912 /nfs/dbraw/zinc/77/49/12/418774912.db2.gz LLKGGESYBNNEBE-INIZCTEOSA-N 2 2 321.469 1.490 20 30 DDEDLP CN(C(=O)NCCCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364278985 418774914 /nfs/dbraw/zinc/77/49/14/418774914.db2.gz LLKGGESYBNNEBE-INIZCTEOSA-N 2 2 321.469 1.490 20 30 DDEDLP Cc1[nH+]c2n(c1CN1CC[NH+](CCCC#N)CC1)CCCC2 ZINC000378488869 418724818 /nfs/dbraw/zinc/72/48/18/418724818.db2.gz ARIAYZRYNMMLMB-UHFFFAOYSA-N 2 2 301.438 1.949 20 30 DDEDLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424168536 228239369 /nfs/dbraw/zinc/23/93/69/228239369.db2.gz ILOAJZBTDCJJNT-DZGCQCFKSA-N 2 2 320.462 1.974 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434981452 229347731 /nfs/dbraw/zinc/34/77/31/229347731.db2.gz JVOHJOJEKSCBSW-MRXNPFEDSA-N 2 2 309.373 1.687 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422974538 419976232 /nfs/dbraw/zinc/97/62/32/419976232.db2.gz FDGHNKNHQCMIAN-RCCFBDPRSA-N 3 2 307.482 1.774 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C(C)C ZINC000423349287 420023299 /nfs/dbraw/zinc/02/32/99/420023299.db2.gz VKONOQXVYKHDLZ-CABCVRRESA-N 2 2 322.478 1.958 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000527135873 421359385 /nfs/dbraw/zinc/35/93/85/421359385.db2.gz MTGYDFFJYYOHTP-ZIAGYGMSSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000527135873 421359387 /nfs/dbraw/zinc/35/93/87/421359387.db2.gz MTGYDFFJYYOHTP-ZIAGYGMSSA-N 2 2 301.394 1.328 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(CC#N)CC2)CC1 ZINC000541018353 421783690 /nfs/dbraw/zinc/78/36/90/421783690.db2.gz MCYXANQVGJGXRI-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000573491362 421969524 /nfs/dbraw/zinc/96/95/24/421969524.db2.gz HOZCRONAHCQQAR-OAHLLOKOSA-N 2 2 324.432 1.909 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc12 ZINC000573491362 421969529 /nfs/dbraw/zinc/96/95/29/421969529.db2.gz HOZCRONAHCQQAR-OAHLLOKOSA-N 2 2 324.432 1.909 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631063922 422500704 /nfs/dbraw/zinc/50/07/04/422500704.db2.gz HUZHAHZQZKKPNH-OAHLLOKOSA-N 2 2 319.453 1.445 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nn1 ZINC000657398890 424327350 /nfs/dbraw/zinc/32/73/50/424327350.db2.gz FBPWMDHHLLQFND-DLBZAZTESA-N 2 2 319.453 1.322 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000662663845 424726663 /nfs/dbraw/zinc/72/66/63/424726663.db2.gz KXQLCUXLMWXAAB-WBVHZDCISA-N 2 2 307.438 1.008 20 30 DDEDLP C[NH+](C)CC1(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000353029982 266494421 /nfs/dbraw/zinc/49/44/21/266494421.db2.gz SCVMXRQAMPLZAU-INIZCTEOSA-N 2 2 314.433 1.796 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264060907 276184124 /nfs/dbraw/zinc/18/41/24/276184124.db2.gz CUQVOXJGIUNJIL-UONOGXRCSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264060907 276184126 /nfs/dbraw/zinc/18/41/26/276184126.db2.gz CUQVOXJGIUNJIL-UONOGXRCSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000354582866 276360414 /nfs/dbraw/zinc/36/04/14/276360414.db2.gz VYHCNJIYHHDBEC-CQSZACIVSA-N 2 2 306.454 1.791 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124429221 279218824 /nfs/dbraw/zinc/21/88/24/279218824.db2.gz MBFKJADXFIBIEI-OAHLLOKOSA-N 2 2 317.437 1.936 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124429221 279218825 /nfs/dbraw/zinc/21/88/25/279218825.db2.gz MBFKJADXFIBIEI-OAHLLOKOSA-N 2 2 317.437 1.936 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343969520 297010463 /nfs/dbraw/zinc/01/04/63/297010463.db2.gz DPZWNHGHQNPYBY-ZACQAIPSSA-N 2 2 303.454 1.388 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343969520 297010465 /nfs/dbraw/zinc/01/04/65/297010465.db2.gz DPZWNHGHQNPYBY-ZACQAIPSSA-N 2 2 303.454 1.388 20 30 DDEDLP C[NH+]1CCC(CNc2ccnc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000566479545 308054594 /nfs/dbraw/zinc/05/45/94/308054594.db2.gz QGTJOWFQJPBNAP-UHFFFAOYSA-N 2 2 314.437 1.132 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934184 533899126 /nfs/dbraw/zinc/89/91/26/533899126.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934184 533899131 /nfs/dbraw/zinc/89/91/31/533899131.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934184 533899135 /nfs/dbraw/zinc/89/91/35/533899135.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934184 533899138 /nfs/dbraw/zinc/89/91/38/533899138.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934184 533899140 /nfs/dbraw/zinc/89/91/40/533899140.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934184 533899142 /nfs/dbraw/zinc/89/91/42/533899142.db2.gz BWQGJPVNZMWSIV-MGPQQGTHSA-N 2 2 305.426 1.432 20 30 DDEDLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)s1 ZINC000424138500 534735521 /nfs/dbraw/zinc/73/55/21/534735521.db2.gz CFKZMHGSHBLUAI-AWEZNQCLSA-N 2 2 321.450 1.117 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330178461 534763770 /nfs/dbraw/zinc/76/37/70/534763770.db2.gz DSBBHIZJIKRKAM-CYBMUJFWSA-N 2 2 314.393 1.715 20 30 DDEDLP C#CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000363296203 526735218 /nfs/dbraw/zinc/73/52/18/526735218.db2.gz UKJPUIZVLYRJPR-UHFFFAOYSA-N 2 2 306.454 1.259 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000490779269 526948100 /nfs/dbraw/zinc/94/81/00/526948100.db2.gz UQWCOAUBWCBDKD-AWEZNQCLSA-N 2 2 305.447 1.518 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000490779269 526948107 /nfs/dbraw/zinc/94/81/07/526948107.db2.gz UQWCOAUBWCBDKD-AWEZNQCLSA-N 2 2 305.447 1.518 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000490780283 526948819 /nfs/dbraw/zinc/94/88/19/526948819.db2.gz JCTYTWOKPYURNX-QGZVFWFLSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000490780283 526948825 /nfs/dbraw/zinc/94/88/25/526948825.db2.gz JCTYTWOKPYURNX-QGZVFWFLSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000491760044 526981877 /nfs/dbraw/zinc/98/18/77/526981877.db2.gz PCKQAQHJSPXOJL-HNNXBMFYSA-N 2 2 301.434 1.845 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972660602 695311927 /nfs/dbraw/zinc/31/19/27/695311927.db2.gz BLBXUWKYSVOUEG-OAHLLOKOSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972660602 695311931 /nfs/dbraw/zinc/31/19/31/695311931.db2.gz BLBXUWKYSVOUEG-OAHLLOKOSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751197 695726001 /nfs/dbraw/zinc/72/60/01/695726001.db2.gz KBJCLUJFUIFAAE-HIFRSBDPSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751197 695726002 /nfs/dbraw/zinc/72/60/02/695726002.db2.gz KBJCLUJFUIFAAE-HIFRSBDPSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956406 695766074 /nfs/dbraw/zinc/76/60/74/695766074.db2.gz PEPCZDCXOSEJOC-GOEBONIOSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956406 695766075 /nfs/dbraw/zinc/76/60/75/695766075.db2.gz PEPCZDCXOSEJOC-GOEBONIOSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977387831 696140375 /nfs/dbraw/zinc/14/03/75/696140375.db2.gz LHEQOJARMPDWPI-MRXNPFEDSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977387831 696140376 /nfs/dbraw/zinc/14/03/76/696140376.db2.gz LHEQOJARMPDWPI-MRXNPFEDSA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978376828 696372742 /nfs/dbraw/zinc/37/27/42/696372742.db2.gz UGZBYLBEHAFMSN-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978376828 696372744 /nfs/dbraw/zinc/37/27/44/696372744.db2.gz UGZBYLBEHAFMSN-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981209707 697034804 /nfs/dbraw/zinc/03/48/04/697034804.db2.gz KJJGCKCYUCLAIK-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981209707 697034807 /nfs/dbraw/zinc/03/48/07/697034807.db2.gz KJJGCKCYUCLAIK-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764016 697177259 /nfs/dbraw/zinc/17/72/59/697177259.db2.gz PULLTVHCIRZVEF-HDICACEKSA-N 2 2 314.433 1.454 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764016 697177260 /nfs/dbraw/zinc/17/72/60/697177260.db2.gz PULLTVHCIRZVEF-HDICACEKSA-N 2 2 314.433 1.454 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985512143 697522750 /nfs/dbraw/zinc/52/27/50/697522750.db2.gz FCPVBTHNEYPPQD-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985512143 697522751 /nfs/dbraw/zinc/52/27/51/697522751.db2.gz FCPVBTHNEYPPQD-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562638 697531293 /nfs/dbraw/zinc/53/12/93/697531293.db2.gz MAWVWLDXDKXATI-UHFFFAOYSA-N 2 2 310.829 1.949 20 30 DDEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562638 697531294 /nfs/dbraw/zinc/53/12/94/697531294.db2.gz MAWVWLDXDKXATI-UHFFFAOYSA-N 2 2 310.829 1.949 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000304706485 698623080 /nfs/dbraw/zinc/62/30/80/698623080.db2.gz KVCVDYMLKKNILO-UHFFFAOYSA-N 2 2 310.417 1.588 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000304706485 698623083 /nfs/dbraw/zinc/62/30/83/698623083.db2.gz KVCVDYMLKKNILO-UHFFFAOYSA-N 2 2 310.417 1.588 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCC(C)(C)C)cn2)CC1 ZINC000782908693 698783377 /nfs/dbraw/zinc/78/33/77/698783377.db2.gz YPPAPXFLJSWLSJ-UHFFFAOYSA-N 2 2 304.442 1.588 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC000989855108 698798152 /nfs/dbraw/zinc/79/81/52/698798152.db2.gz ZNZSRHUPLPPUCY-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991443761 699325826 /nfs/dbraw/zinc/32/58/26/699325826.db2.gz CEXWGGHZTYLAJM-QILLFSRXSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991443761 699325829 /nfs/dbraw/zinc/32/58/29/699325829.db2.gz CEXWGGHZTYLAJM-QILLFSRXSA-N 2 2 312.417 1.192 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000791025714 699607438 /nfs/dbraw/zinc/60/74/38/699607438.db2.gz FBDWKERYXFHHAD-LSDHHAIUSA-N 2 2 306.454 1.256 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000791025714 699607440 /nfs/dbraw/zinc/60/74/40/699607440.db2.gz FBDWKERYXFHHAD-LSDHHAIUSA-N 2 2 306.454 1.256 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000763946762 700954503 /nfs/dbraw/zinc/95/45/03/700954503.db2.gz ILVFELSQEDIWCB-UHFFFAOYSA-N 2 2 317.433 1.327 20 30 DDEDLP C#C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000817274435 702322273 /nfs/dbraw/zinc/32/22/73/702322273.db2.gz DSOWVRGOAKWSFK-RTBURBONSA-N 2 2 314.429 1.789 20 30 DDEDLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000817915223 702519464 /nfs/dbraw/zinc/51/94/64/702519464.db2.gz JDTBRNXYRKVPLW-IRXDYDNUSA-N 2 2 301.390 1.423 20 30 DDEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569211 706720792 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DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000876885210 705907596 /nfs/dbraw/zinc/90/75/96/705907596.db2.gz NBEPPDIKPURWEB-LBPRGKRZSA-N 2 2 324.812 1.635 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000827891126 706082699 /nfs/dbraw/zinc/08/26/99/706082699.db2.gz AMGWYVUCSDPEFX-UHFFFAOYSA-N 2 2 310.401 1.754 20 30 DDEDLP C#CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000886574819 708779373 /nfs/dbraw/zinc/77/93/73/708779373.db2.gz UZSBFMCYNGOFME-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OC ZINC000905780554 712144694 /nfs/dbraw/zinc/14/46/94/712144694.db2.gz SQVXNRFCJVRZSQ-MRXNPFEDSA-N 2 2 310.438 1.585 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000925811950 714941468 /nfs/dbraw/zinc/94/14/68/714941468.db2.gz FZTKOSXNGSURTF-UAGQMJEPSA-N 2 2 303.381 1.944 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000959892194 716339241 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UXTJQEUCABRCEL-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943876347 718213575 /nfs/dbraw/zinc/21/35/75/718213575.db2.gz JAKZIGIOQQQPRO-MAUKXSAKSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943876347 718213578 /nfs/dbraw/zinc/21/35/78/718213578.db2.gz JAKZIGIOQQQPRO-MAUKXSAKSA-N 2 2 322.412 1.946 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098240 718254642 /nfs/dbraw/zinc/25/46/42/718254642.db2.gz NCBCHWWQNRTTPD-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098240 718254643 /nfs/dbraw/zinc/25/46/43/718254643.db2.gz NCBCHWWQNRTTPD-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946858976 718928363 /nfs/dbraw/zinc/92/83/63/718928363.db2.gz INKHLHJRYCAOSS-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946858976 718928365 /nfs/dbraw/zinc/92/83/65/718928365.db2.gz INKHLHJRYCAOSS-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970419331 720754700 /nfs/dbraw/zinc/75/47/00/720754700.db2.gz BDBPGBFZOYPYAL-ZFWWWQNUSA-N 2 2 314.433 1.214 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425953 720757870 /nfs/dbraw/zinc/75/78/70/720757870.db2.gz CISOPSPRCCUWEP-ZDUSSCGKSA-N 2 2 318.421 1.507 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972686547 735472123 /nfs/dbraw/zinc/47/21/23/735472123.db2.gz ALJHBOPTCSEYKM-SFHVURJKSA-N 2 2 321.465 1.352 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972686547 735472124 /nfs/dbraw/zinc/47/21/24/735472124.db2.gz ALJHBOPTCSEYKM-SFHVURJKSA-N 2 2 321.465 1.352 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027575474 738421653 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302.422 1.841 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503388 733602847 /nfs/dbraw/zinc/60/28/47/733602847.db2.gz NYZPDROIKHWBBT-WMZOPIPTSA-N 2 2 314.433 1.515 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913843 738801921 /nfs/dbraw/zinc/80/19/21/738801921.db2.gz PGIAHSMQXDGUJZ-CQSZACIVSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913843 738801928 /nfs/dbraw/zinc/80/19/28/738801928.db2.gz PGIAHSMQXDGUJZ-CQSZACIVSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001027939249 738841130 /nfs/dbraw/zinc/84/11/30/738841130.db2.gz KXHSVPLYRBMPJY-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001027939249 738841137 /nfs/dbraw/zinc/84/11/37/738841137.db2.gz KXHSVPLYRBMPJY-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001027939249 738841140 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CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027981323 738903563 /nfs/dbraw/zinc/90/35/63/738903563.db2.gz MAHMULADDXKMCF-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027981323 738903566 /nfs/dbraw/zinc/90/35/66/738903566.db2.gz MAHMULADDXKMCF-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289791 736410344 /nfs/dbraw/zinc/41/03/44/736410344.db2.gz SHAJGQOIQYXXCS-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289791 736410345 /nfs/dbraw/zinc/41/03/45/736410345.db2.gz SHAJGQOIQYXXCS-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303087 736413203 /nfs/dbraw/zinc/41/32/03/736413203.db2.gz CWQSKZLXUUSBKL-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303087 736413205 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DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131247 739075299 /nfs/dbraw/zinc/07/52/99/739075299.db2.gz GDQPOTBFLNKGLF-ZIAGYGMSSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131247 739075303 /nfs/dbraw/zinc/07/53/03/739075303.db2.gz GDQPOTBFLNKGLF-ZIAGYGMSSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718534 739951943 /nfs/dbraw/zinc/95/19/43/739951943.db2.gz ILRXYIQXLDJZSO-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718534 739951944 /nfs/dbraw/zinc/95/19/44/739951944.db2.gz ILRXYIQXLDJZSO-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028925878 740178678 /nfs/dbraw/zinc/17/86/78/740178678.db2.gz CIHFZBIQSUYBOI-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028925878 740178679 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302.422 1.798 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010660 745404036 /nfs/dbraw/zinc/40/40/36/745404036.db2.gz OIEZVCNRXDXSTH-WBVHZDCISA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010660 745404040 /nfs/dbraw/zinc/40/40/40/745404040.db2.gz OIEZVCNRXDXSTH-WBVHZDCISA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342885 745615710 /nfs/dbraw/zinc/61/57/10/745615710.db2.gz HPVOMKJBLPPWGD-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419387 745679401 /nfs/dbraw/zinc/67/94/01/745679401.db2.gz JDPARBQFGOWVLU-HUUCEWRRSA-N 2 2 310.401 1.655 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194317410 746335427 /nfs/dbraw/zinc/33/54/27/746335427.db2.gz YRPJRPPCJSICRK-IAGOWNOFSA-N 2 2 316.449 1.793 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194317410 746335432 /nfs/dbraw/zinc/33/54/32/746335432.db2.gz YRPJRPPCJSICRK-IAGOWNOFSA-N 2 2 316.449 1.793 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240848 746745412 /nfs/dbraw/zinc/74/54/12/746745412.db2.gz PNBNNQDQYRDZQM-LSDHHAIUSA-N 2 2 302.422 1.866 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198150384 747392781 /nfs/dbraw/zinc/39/27/81/747392781.db2.gz CGEPNBDOXVNZBY-HZPDHXFCSA-N 2 2 322.453 1.392 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198150384 747392787 /nfs/dbraw/zinc/39/27/87/747392787.db2.gz CGEPNBDOXVNZBY-HZPDHXFCSA-N 2 2 322.453 1.392 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031986931 748362131 /nfs/dbraw/zinc/36/21/31/748362131.db2.gz LBPOAGVCZLWOLH-HUUCEWRRSA-N 2 2 302.422 1.538 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525705 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DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017697010 758160974 /nfs/dbraw/zinc/16/09/74/758160974.db2.gz XIFOFLXTRNTDST-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001018228664 758650937 /nfs/dbraw/zinc/65/09/37/758650937.db2.gz YYUSIIYHJVHUQT-IYBDPMFKSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001018228664 758650941 /nfs/dbraw/zinc/65/09/41/758650941.db2.gz YYUSIIYHJVHUQT-IYBDPMFKSA-N 2 2 302.422 1.604 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164339 759247026 /nfs/dbraw/zinc/24/70/26/759247026.db2.gz HKMJOEHNYICAER-IBGZPJMESA-N 2 2 322.412 1.896 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164339 759247031 /nfs/dbraw/zinc/24/70/31/759247031.db2.gz HKMJOEHNYICAER-IBGZPJMESA-N 2 2 322.412 1.896 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001019452195 759953153 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HWNUVGUPPAPZBC-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782483 769189856 /nfs/dbraw/zinc/18/98/56/769189856.db2.gz NMCKXIYIHPYMLI-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132922935 769324630 /nfs/dbraw/zinc/32/46/30/769324630.db2.gz CFKHTMNISDEDPA-HOCLYGCPSA-N 2 2 317.433 1.893 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925125 769327690 /nfs/dbraw/zinc/32/76/90/769327690.db2.gz TXKFKVPBGPRNCG-ZBFHGGJFSA-N 2 2 315.417 1.340 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133353374 769734800 /nfs/dbraw/zinc/73/48/00/769734800.db2.gz AEZJDYCOGUJVRO-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048902171 770083129 /nfs/dbraw/zinc/08/31/29/770083129.db2.gz IADUJYSYUCINKT-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP 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QZDVHHQOSICOMO-UHFFFAOYSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001093542263 774815208 /nfs/dbraw/zinc/81/52/08/774815208.db2.gz QZDVHHQOSICOMO-UHFFFAOYSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159253 774870863 /nfs/dbraw/zinc/87/08/63/774870863.db2.gz PIVOUKYVSIBMAL-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099159253 774870866 /nfs/dbraw/zinc/87/08/66/774870866.db2.gz PIVOUKYVSIBMAL-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325511 774947571 /nfs/dbraw/zinc/94/75/71/774947571.db2.gz WEGZQFUAGOVYDU-MRXNPFEDSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325511 774947575 /nfs/dbraw/zinc/94/75/75/774947575.db2.gz WEGZQFUAGOVYDU-MRXNPFEDSA-N 2 2 316.449 1.593 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048159 775617830 /nfs/dbraw/zinc/61/78/30/775617830.db2.gz GPSQJODRZCRYKO-LSDHHAIUSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048159 775617831 /nfs/dbraw/zinc/61/78/31/775617831.db2.gz GPSQJODRZCRYKO-LSDHHAIUSA-N 2 2 322.453 1.474 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458131 776182992 /nfs/dbraw/zinc/18/29/92/776182992.db2.gz PCRQGPOJGWEHPZ-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171603900 776366459 /nfs/dbraw/zinc/36/64/59/776366459.db2.gz DKVBGCWGAAOZRM-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001100787035 776538170 /nfs/dbraw/zinc/53/81/70/776538170.db2.gz LRFJGOGDQJVYGV-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175228891 777722030 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C#CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266519967 836404199 /nfs/dbraw/zinc/40/41/99/836404199.db2.gz CHEZWWBKLXRXCG-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047348 837248351 /nfs/dbraw/zinc/24/83/51/837248351.db2.gz KCPCFCDXYGMIES-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001268175690 839795630 /nfs/dbraw/zinc/79/56/30/839795630.db2.gz WTTGMHJNZWEWRY-CVEARBPZSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001269677402 841926829 /nfs/dbraw/zinc/92/68/29/841926829.db2.gz RGRQVPNWMVFTBP-SUMWQHHRSA-N 2 2 302.422 1.549 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC001270450819 842586552 /nfs/dbraw/zinc/58/65/52/842586552.db2.gz YMSIFDBSHREDRP-INIZCTEOSA-N 2 2 302.422 1.251 20 30 DDEDLP CC#CC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001270899679 843022864 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ZINC001049558197 856973921 /nfs/dbraw/zinc/97/39/21/856973921.db2.gz NSQBMCMCIRAIJU-HRCADAONSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001072760574 857677143 /nfs/dbraw/zinc/67/71/43/857677143.db2.gz GTLOGWUKCDEFJM-UHFFFAOYSA-N 2 2 314.433 1.482 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001072760574 857677148 /nfs/dbraw/zinc/67/71/48/857677148.db2.gz GTLOGWUKCDEFJM-UHFFFAOYSA-N 2 2 314.433 1.482 20 30 DDEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835437 858608357 /nfs/dbraw/zinc/60/83/57/858608357.db2.gz MSEMAIHUDDDPKI-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329306430 863589863 /nfs/dbraw/zinc/58/98/63/863589863.db2.gz DTQILZFTVFQSFO-AWEZNQCLSA-N 2 2 304.438 1.706 20 30 DDEDLP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330403772 864314028 /nfs/dbraw/zinc/31/40/28/864314028.db2.gz LZDRJAGZQCXZBW-HUUCEWRRSA-N 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ZINC001160821505 866132797 /nfs/dbraw/zinc/13/27/97/866132797.db2.gz INCVDSOIDFMNJJ-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)Cl)C1CC1 ZINC001323016676 866271684 /nfs/dbraw/zinc/27/16/84/866271684.db2.gz YHQWWABVNHDAMJ-CABCVRRESA-N 2 2 309.841 1.321 20 30 DDEDLP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324867835 867589767 /nfs/dbraw/zinc/58/97/67/867589767.db2.gz GGIKWNKSEAMFPX-OAHLLOKOSA-N 2 2 316.449 1.850 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779332 869135979 /nfs/dbraw/zinc/13/59/79/869135979.db2.gz JAVOERQKTQSWTR-HOCLYGCPSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779332 869135986 /nfs/dbraw/zinc/13/59/86/869135986.db2.gz JAVOERQKTQSWTR-HOCLYGCPSA-N 2 2 303.406 1.229 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165856206 869738436 /nfs/dbraw/zinc/73/84/36/869738436.db2.gz FGWUROHKSGVPJW-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317399850 870769387 /nfs/dbraw/zinc/76/93/87/870769387.db2.gz WOEGGBZYQCYYDW-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816395 870775922 /nfs/dbraw/zinc/77/59/22/870775922.db2.gz WGQWOGJUHPSDSX-HUUCEWRRSA-N 2 2 302.422 1.866 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317686619 871410425 /nfs/dbraw/zinc/41/04/25/871410425.db2.gz NHSBVHGWSHKTCY-FVQBIDKESA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317686619 871410433 /nfs/dbraw/zinc/41/04/33/871410433.db2.gz NHSBVHGWSHKTCY-FVQBIDKESA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512129 871597921 /nfs/dbraw/zinc/59/79/21/871597921.db2.gz FCQXWBZXLXUKDX-UHFFFAOYSA-N 2 2 316.449 1.778 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001318700434 872213780 /nfs/dbraw/zinc/21/37/80/872213780.db2.gz DCPSMHGTKPVTNF-SFHVURJKSA-N 2 2 315.417 1.531 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001318803753 872279993 /nfs/dbraw/zinc/27/99/93/872279993.db2.gz HEBALTFPAHFNRK-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318847851 872302692 /nfs/dbraw/zinc/30/26/92/872302692.db2.gz AXVXPVOSSGPOJY-OAHLLOKOSA-N 2 2 316.449 1.929 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428193 872308486 /nfs/dbraw/zinc/30/84/86/872308486.db2.gz VMVJLENMYUZAHP-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319080819 872430873 /nfs/dbraw/zinc/43/08/73/872430873.db2.gz NUGASXHNWXBXTE-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319080819 872430884 /nfs/dbraw/zinc/43/08/84/872430884.db2.gz NUGASXHNWXBXTE-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319620939 872723680 /nfs/dbraw/zinc/72/36/80/872723680.db2.gz QOKDJLDCVDNMGE-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227166577 882889115 /nfs/dbraw/zinc/88/91/15/882889115.db2.gz VZTZBZGSCQNAJJ-BZUAXINKSA-N 2 2 314.433 1.486 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374210 875780353 /nfs/dbraw/zinc/78/03/53/875780353.db2.gz CXKPYEUPAFZZLI-KBAYOESNSA-N 2 2 313.445 1.749 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374210 875780360 /nfs/dbraw/zinc/78/03/60/875780360.db2.gz CXKPYEUPAFZZLI-KBAYOESNSA-N 2 2 313.445 1.749 20 30 DDEDLP CC1(C)CC(=O)C=C(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001220413267 878993752 /nfs/dbraw/zinc/99/37/52/878993752.db2.gz DEAYNOWHNNIUAI-HNNXBMFYSA-N 2 2 301.390 1.648 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511336 879902256 /nfs/dbraw/zinc/90/22/56/879902256.db2.gz WMYAELHNLVUHMW-HUUCEWRRSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511336 879902268 /nfs/dbraw/zinc/90/22/68/879902268.db2.gz WMYAELHNLVUHMW-HUUCEWRRSA-N 2 2 318.421 1.078 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001277863741 888066395 /nfs/dbraw/zinc/06/63/95/888066395.db2.gz RQIYTPZYYXUXBK-AWEZNQCLSA-N 2 2 320.437 1.013 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235795429 888951740 /nfs/dbraw/zinc/95/17/40/888951740.db2.gz IAOJPTAJQFHUMX-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235795429 888951747 /nfs/dbraw/zinc/95/17/47/888951747.db2.gz IAOJPTAJQFHUMX-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP COc1cccc(C2([NH2+][C@H]3CCN[C@H](C#N)C3)CC[NH2+]CC2)c1 ZINC001246413964 892612056 /nfs/dbraw/zinc/61/20/56/892612056.db2.gz HLDVIXSNXBOHIT-HOTGVXAUSA-N 2 2 314.433 1.508 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001366311586 893121943 /nfs/dbraw/zinc/12/19/43/893121943.db2.gz ITXNGHABAQCAFQ-LLVKDONJSA-N 2 2 315.215 1.276 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278977677 897624738 /nfs/dbraw/zinc/62/47/38/897624738.db2.gz COHKYOBNCQBJLJ-HUUCEWRRSA-N 2 2 316.449 1.589 20 30 DDEDLP N#CC1CCC([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001256969027 897650316 /nfs/dbraw/zinc/65/03/16/897650316.db2.gz XVWGKCIWLOPFJD-UHFFFAOYSA-N 2 2 306.454 1.019 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389748386 897917441 /nfs/dbraw/zinc/91/74/41/897917441.db2.gz VUDDZRWGUKFZDW-ZDUSSCGKSA-N 2 2 310.829 1.875 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389748386 897917453 /nfs/dbraw/zinc/91/74/53/897917453.db2.gz VUDDZRWGUKFZDW-ZDUSSCGKSA-N 2 2 310.829 1.875 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265167205 901656858 /nfs/dbraw/zinc/65/68/58/901656858.db2.gz HNIYSLXJNZHFNA-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265167205 901656864 /nfs/dbraw/zinc/65/68/64/901656864.db2.gz HNIYSLXJNZHFNA-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167603 901657410 /nfs/dbraw/zinc/65/74/10/901657410.db2.gz VODIBVVWFUQXEJ-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167603 901657415 /nfs/dbraw/zinc/65/74/15/901657415.db2.gz VODIBVVWFUQXEJ-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265501021 902074188 /nfs/dbraw/zinc/07/41/88/902074188.db2.gz YRWFLSQPAQISOB-WKILWMFISA-N 2 2 308.385 1.241 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001265617593 902208713 /nfs/dbraw/zinc/20/87/13/902208713.db2.gz LWXPBJCANTYVPA-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266146224 903022057 /nfs/dbraw/zinc/02/20/57/903022057.db2.gz KTWJXBPBTGISKV-CZUORRHYSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001266146224 903022073 /nfs/dbraw/zinc/02/20/73/903022073.db2.gz KTWJXBPBTGISKV-CZUORRHYSA-N 2 2 317.437 1.298 20 30 DDEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279164032 903187968 /nfs/dbraw/zinc/18/79/68/903187968.db2.gz JALKMDSSRFSCQX-AWEZNQCLSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279250609 903203670 /nfs/dbraw/zinc/20/36/70/903203670.db2.gz ZRDRGZARFUOWFY-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001281049960 904355957 /nfs/dbraw/zinc/35/59/57/904355957.db2.gz PYYWMZFYSDAFFV-UHFFFAOYSA-N 2 2 302.422 1.645 20 30 DDEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001281069460 904372879 /nfs/dbraw/zinc/37/28/79/904372879.db2.gz BAEKYKBZGVZMIO-SFHVURJKSA-N 2 2 324.428 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001371260673 904575166 /nfs/dbraw/zinc/57/51/66/904575166.db2.gz IUWSJCQELYHTMX-SNVBAGLBSA-N 2 2 300.790 1.197 20 30 DDEDLP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001281498646 904940276 /nfs/dbraw/zinc/94/02/76/904940276.db2.gz RFCSYVLGUHWBIK-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155782 905584584 /nfs/dbraw/zinc/58/45/84/905584584.db2.gz JDVPQOKXFMTHMT-UONOGXRCSA-N 2 2 316.405 1.633 20 30 DDEDLP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001282448616 905792254 /nfs/dbraw/zinc/79/22/54/905792254.db2.gz BDZOXGSBIMKBAX-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001282448616 905792272 /nfs/dbraw/zinc/79/22/72/905792272.db2.gz BDZOXGSBIMKBAX-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001282448616 905792292 /nfs/dbraw/zinc/79/22/92/905792292.db2.gz BDZOXGSBIMKBAX-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001282448616 905792310 /nfs/dbraw/zinc/79/23/10/905792310.db2.gz BDZOXGSBIMKBAX-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393376294 906829993 /nfs/dbraw/zinc/82/99/93/906829993.db2.gz GKCJHNBOIBGYLZ-QWHCGFSZSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393376294 906830013 /nfs/dbraw/zinc/83/00/13/906830013.db2.gz GKCJHNBOIBGYLZ-QWHCGFSZSA-N 2 2 310.829 1.921 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001284602747 909237121 /nfs/dbraw/zinc/23/71/21/909237121.db2.gz DRJRXQBCRLPOIN-OAHLLOKOSA-N 2 2 303.406 1.386 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278589885 214259798 /nfs/dbraw/zinc/25/97/98/214259798.db2.gz KYYIGYWZJQUQMM-CQSZACIVSA-N 2 2 303.406 1.924 20 30 DDEDLP N#CCC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000578315878 354706981 /nfs/dbraw/zinc/70/69/81/354706981.db2.gz DIQRPJZVWFUEKA-MRXNPFEDSA-N 2 2 300.406 1.387 20 30 DDEDLP N#CCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000578315878 354706983 /nfs/dbraw/zinc/70/69/83/354706983.db2.gz DIQRPJZVWFUEKA-MRXNPFEDSA-N 2 2 300.406 1.387 20 30 DDEDLP Cc1cc(C#N)nc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000587976321 354887939 /nfs/dbraw/zinc/88/79/39/354887939.db2.gz XVABUWWMTSUFKK-MRXNPFEDSA-N 2 2 314.437 1.261 20 30 DDEDLP Cc1cc(C#N)nc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000587976321 354887942 /nfs/dbraw/zinc/88/79/42/354887942.db2.gz XVABUWWMTSUFKK-MRXNPFEDSA-N 2 2 314.437 1.261 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598591225 357644442 /nfs/dbraw/zinc/64/44/42/357644442.db2.gz WYWPQCAIJFGXBL-AWEZNQCLSA-N 2 2 318.421 1.513 20 30 DDEDLP Cc1nc(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)cc[nH+]1 ZINC000598604428 357650340 /nfs/dbraw/zinc/65/03/40/357650340.db2.gz NQPUDIJWDNMSFP-AWEZNQCLSA-N 2 2 303.410 1.208 20 30 DDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598718160 357702450 /nfs/dbraw/zinc/70/24/50/357702450.db2.gz CGBANYOFEYCYKV-AWEZNQCLSA-N 2 2 311.470 1.766 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600723150 358295840 /nfs/dbraw/zinc/29/58/40/358295840.db2.gz JTPHVLFKYHFNLR-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602000834 358772196 /nfs/dbraw/zinc/77/21/96/358772196.db2.gz MAFHXQBGIXNOBJ-UHFFFAOYSA-N 2 2 305.422 1.942 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000602552449 359041213 /nfs/dbraw/zinc/04/12/13/359041213.db2.gz XBYSXNNUHKBDAF-JKSUJKDBSA-N 2 2 309.454 1.643 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258172 360278922 /nfs/dbraw/zinc/27/89/22/360278922.db2.gz NRABBYNNPAJQRY-ZBFHGGJFSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258172 360278926 /nfs/dbraw/zinc/27/89/26/360278926.db2.gz NRABBYNNPAJQRY-ZBFHGGJFSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000611588143 360769226 /nfs/dbraw/zinc/76/92/26/360769226.db2.gz VDMUNFGJWNJVEE-LBPRGKRZSA-N 2 2 304.369 1.122 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000330187853 223085327 /nfs/dbraw/zinc/08/53/27/223085327.db2.gz KRSZTFJLSSODPV-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000330187853 223085328 /nfs/dbraw/zinc/08/53/28/223085328.db2.gz KRSZTFJLSSODPV-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000346411655 223356259 /nfs/dbraw/zinc/35/62/59/223356259.db2.gz KPGSSBBZWGZWMX-GDBMZVCRSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000346411655 223356262 /nfs/dbraw/zinc/35/62/62/223356262.db2.gz KPGSSBBZWGZWMX-GDBMZVCRSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000346411655 223356264 /nfs/dbraw/zinc/35/62/64/223356264.db2.gz KPGSSBBZWGZWMX-GDBMZVCRSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000346411655 223356266 /nfs/dbraw/zinc/35/62/66/223356266.db2.gz KPGSSBBZWGZWMX-GDBMZVCRSA-N 2 2 318.465 1.601 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000266461126 205363293 /nfs/dbraw/zinc/36/32/93/205363293.db2.gz YTLKFJYKJNGURX-OAHLLOKOSA-N 2 2 317.437 1.500 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000266461126 205363296 /nfs/dbraw/zinc/36/32/96/205363296.db2.gz YTLKFJYKJNGURX-OAHLLOKOSA-N 2 2 317.437 1.500 20 30 DDEDLP CCc1ccc([C@@H](CNC(=[NH2+])N[C@H](C)COC)[NH+](C)C)cc1 ZINC000104155517 221497269 /nfs/dbraw/zinc/49/72/69/221497269.db2.gz LJWAPIUZGNHTNH-CZUORRHYSA-N 2 2 306.454 1.791 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109706 406955715 /nfs/dbraw/zinc/95/57/15/406955715.db2.gz ZNKYQVHYZVQLAT-KRWDZBQOSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109706 406955716 /nfs/dbraw/zinc/95/57/16/406955716.db2.gz ZNKYQVHYZVQLAT-KRWDZBQOSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109706 406955717 /nfs/dbraw/zinc/95/57/17/406955717.db2.gz ZNKYQVHYZVQLAT-KRWDZBQOSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109706 406955718 /nfs/dbraw/zinc/95/57/18/406955718.db2.gz ZNKYQVHYZVQLAT-KRWDZBQOSA-N 2 2 301.434 1.743 20 30 DDEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664937 407200888 /nfs/dbraw/zinc/20/08/88/407200888.db2.gz PORQQWMKJLAXLY-KRWDZBQOSA-N 2 2 314.429 1.853 20 30 DDEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664937 407200890 /nfs/dbraw/zinc/20/08/90/407200890.db2.gz PORQQWMKJLAXLY-KRWDZBQOSA-N 2 2 314.429 1.853 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104068684 407346484 /nfs/dbraw/zinc/34/64/84/407346484.db2.gz SFRUTAYPWFAPKL-KRWDZBQOSA-N 2 2 312.417 1.472 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104068684 407346485 /nfs/dbraw/zinc/34/64/85/407346485.db2.gz SFRUTAYPWFAPKL-KRWDZBQOSA-N 2 2 312.417 1.472 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)CCc1cccs1 ZINC000153534421 407845589 /nfs/dbraw/zinc/84/55/89/407845589.db2.gz BUGPPZPEOMYKHI-ZDUSSCGKSA-N 2 2 310.467 1.128 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)CCc1cccs1 ZINC000153534421 407845597 /nfs/dbraw/zinc/84/55/97/407845597.db2.gz BUGPPZPEOMYKHI-ZDUSSCGKSA-N 2 2 310.467 1.128 20 30 DDEDLP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161661461 408625272 /nfs/dbraw/zinc/62/52/72/408625272.db2.gz YVXOFIMUYOSUSA-OAHLLOKOSA-N 2 2 309.435 1.094 20 30 DDEDLP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161661461 408625277 /nfs/dbraw/zinc/62/52/77/408625277.db2.gz YVXOFIMUYOSUSA-OAHLLOKOSA-N 2 2 309.435 1.094 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000294747550 409298270 /nfs/dbraw/zinc/29/82/70/409298270.db2.gz XKJWSFBROPOJNH-SFHVURJKSA-N 2 2 315.461 1.872 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000294747550 409298273 /nfs/dbraw/zinc/29/82/73/409298273.db2.gz XKJWSFBROPOJNH-SFHVURJKSA-N 2 2 315.461 1.872 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000328772024 409977389 /nfs/dbraw/zinc/97/73/89/409977389.db2.gz AYEORZOJNZXLOZ-RDBSUJKOSA-N 2 2 317.437 1.749 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000328772024 409977392 /nfs/dbraw/zinc/97/73/92/409977392.db2.gz AYEORZOJNZXLOZ-RDBSUJKOSA-N 2 2 317.437 1.749 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328623267 409937956 /nfs/dbraw/zinc/93/79/56/409937956.db2.gz YSCGDFMNBOGEBA-HNNXBMFYSA-N 2 2 319.453 1.948 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CCC2 ZINC000328644185 409944659 /nfs/dbraw/zinc/94/46/59/409944659.db2.gz FVSYUYROXVUBQG-UONOGXRCSA-N 2 2 305.426 1.619 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000328885734 410003491 /nfs/dbraw/zinc/00/34/91/410003491.db2.gz ZHUJMMABILDYOZ-HZSPNIEDSA-N 2 2 305.426 1.606 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000328885734 410003496 /nfs/dbraw/zinc/00/34/96/410003496.db2.gz ZHUJMMABILDYOZ-HZSPNIEDSA-N 2 2 305.426 1.606 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000344274568 411067133 /nfs/dbraw/zinc/06/71/33/411067133.db2.gz NPFPMIPFSCDFIJ-UHFFFAOYSA-N 2 2 304.394 1.184 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192989 533679886 /nfs/dbraw/zinc/67/98/86/533679886.db2.gz YGYTXCDZHVUQBI-KGLIPLIRSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192989 533679895 /nfs/dbraw/zinc/67/98/95/533679895.db2.gz YGYTXCDZHVUQBI-KGLIPLIRSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192989 533679899 /nfs/dbraw/zinc/67/98/99/533679899.db2.gz YGYTXCDZHVUQBI-KGLIPLIRSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192989 533679903 /nfs/dbraw/zinc/67/99/03/533679903.db2.gz YGYTXCDZHVUQBI-KGLIPLIRSA-N 2 2 305.426 1.433 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205756 418570406 /nfs/dbraw/zinc/57/04/06/418570406.db2.gz LIKXQWPLJZLABO-NVXWUHKLSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205756 418570408 /nfs/dbraw/zinc/57/04/08/418570408.db2.gz LIKXQWPLJZLABO-NVXWUHKLSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000264136170 222323542 /nfs/dbraw/zinc/32/35/42/222323542.db2.gz VHOGMJYBKJSUJZ-MRXNPFEDSA-N 2 2 320.437 1.230 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N(C)Cc1cccn1C ZINC000261999656 222269142 /nfs/dbraw/zinc/26/91/42/222269142.db2.gz UAQRSYIHBPAULN-UHFFFAOYSA-N 2 2 324.432 1.923 20 30 DDEDLP COc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1OC ZINC000264064927 222313146 /nfs/dbraw/zinc/31/31/46/222313146.db2.gz DUNCQQVXTCIYHB-CYBMUJFWSA-N 2 2 306.410 1.373 20 30 DDEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267300336 222383219 /nfs/dbraw/zinc/38/32/19/222383219.db2.gz LCWRXOVZGCEWTI-CQSZACIVSA-N 2 2 302.422 1.623 20 30 DDEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267300336 222383221 /nfs/dbraw/zinc/38/32/21/222383221.db2.gz LCWRXOVZGCEWTI-CQSZACIVSA-N 2 2 302.422 1.623 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000424062382 228224285 /nfs/dbraw/zinc/22/42/85/228224285.db2.gz VFQUQAQRYKJNFJ-CQSZACIVSA-N 2 2 301.394 1.319 20 30 DDEDLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424168547 228239297 /nfs/dbraw/zinc/23/92/97/228239297.db2.gz ILOAJZBTDCJJNT-ZFWWWQNUSA-N 2 2 320.462 1.974 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000567428448 421612087 /nfs/dbraw/zinc/61/20/87/421612087.db2.gz HBPYZRMSXYDQKX-UHFFFAOYSA-N 2 2 319.453 1.148 20 30 DDEDLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000571198761 421695366 /nfs/dbraw/zinc/69/53/66/421695366.db2.gz YIBFOQCHDHRNDS-TWMKSMIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000571198761 421695368 /nfs/dbraw/zinc/69/53/68/421695368.db2.gz YIBFOQCHDHRNDS-TWMKSMIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@H+](C)CCC#N ZINC000571198761 421695371 /nfs/dbraw/zinc/69/53/71/421695371.db2.gz YIBFOQCHDHRNDS-TWMKSMIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000571198761 421695373 /nfs/dbraw/zinc/69/53/73/421695373.db2.gz YIBFOQCHDHRNDS-TWMKSMIVSA-N 2 2 310.486 1.149 20 30 DDEDLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579412 267070003 /nfs/dbraw/zinc/07/00/03/267070003.db2.gz BLXNOEULUUZYOW-CRAIPNDOSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579412 267070005 /nfs/dbraw/zinc/07/00/05/267070005.db2.gz BLXNOEULUUZYOW-CRAIPNDOSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579412 267070006 /nfs/dbraw/zinc/07/00/06/267070006.db2.gz BLXNOEULUUZYOW-CRAIPNDOSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579412 267070008 /nfs/dbraw/zinc/07/00/08/267070008.db2.gz BLXNOEULUUZYOW-CRAIPNDOSA-N 2 2 319.449 1.880 20 30 DDEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(C#N)n1 ZINC000342936019 267337734 /nfs/dbraw/zinc/33/77/34/267337734.db2.gz CWJKDKCOHLQINE-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(C#N)n1 ZINC000342936019 267337736 /nfs/dbraw/zinc/33/77/36/267337736.db2.gz CWJKDKCOHLQINE-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344548142 268073720 /nfs/dbraw/zinc/07/37/20/268073720.db2.gz MZTFEFHSSMGZKJ-SFHVURJKSA-N 2 2 311.385 1.878 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344548142 268073722 /nfs/dbraw/zinc/07/37/22/268073722.db2.gz MZTFEFHSSMGZKJ-SFHVURJKSA-N 2 2 311.385 1.878 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C#N)CCCCC3)C2)CC1 ZINC000369273996 277028251 /nfs/dbraw/zinc/02/82/51/277028251.db2.gz LPSPARPOWZYUDT-HNNXBMFYSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C#N)CCCCC3)C2)CC1 ZINC000369273996 277028252 /nfs/dbraw/zinc/02/82/52/277028252.db2.gz LPSPARPOWZYUDT-HNNXBMFYSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343969519 297021769 /nfs/dbraw/zinc/02/17/69/297021769.db2.gz DPZWNHGHQNPYBY-IXDOHACOSA-N 2 2 303.454 1.388 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343969519 297021771 /nfs/dbraw/zinc/02/17/71/297021771.db2.gz DPZWNHGHQNPYBY-IXDOHACOSA-N 2 2 303.454 1.388 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000576408974 308312807 /nfs/dbraw/zinc/31/28/07/308312807.db2.gz SNHIDCBLMPUUPR-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429705 341293346 /nfs/dbraw/zinc/29/33/46/341293346.db2.gz NFSKZYLNSSRMII-ZOBUZTSGSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429705 341293347 /nfs/dbraw/zinc/29/33/47/341293347.db2.gz NFSKZYLNSSRMII-ZOBUZTSGSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429705 341293348 /nfs/dbraw/zinc/29/33/48/341293348.db2.gz NFSKZYLNSSRMII-ZOBUZTSGSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429705 341293349 /nfs/dbraw/zinc/29/33/49/341293349.db2.gz NFSKZYLNSSRMII-ZOBUZTSGSA-N 2 2 308.470 1.703 20 30 DDEDLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000565359157 341525092 /nfs/dbraw/zinc/52/50/92/341525092.db2.gz QHXUDGHGNLWWBR-MRXNPFEDSA-N 2 2 314.389 1.058 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)C[C@@H]2CCCCO2)CC1 ZINC000490852009 526947374 /nfs/dbraw/zinc/94/73/74/526947374.db2.gz JNOLFCRPSQDHCQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)C[C@@H]2CCCCO2)CC1 ZINC000490852009 526947377 /nfs/dbraw/zinc/94/73/77/526947377.db2.gz JNOLFCRPSQDHCQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@](C)(C#N)CC)CC2)CC1 ZINC000331502969 528976259 /nfs/dbraw/zinc/97/62/59/528976259.db2.gz KBJNPKSTJJQDEA-GOSISDBHSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@](C)(C#N)CC)CC2)CC1 ZINC000331502969 528976271 /nfs/dbraw/zinc/97/62/71/528976271.db2.gz KBJNPKSTJJQDEA-GOSISDBHSA-N 2 2 320.481 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980220517 696711261 /nfs/dbraw/zinc/71/12/61/696711261.db2.gz VLBDMYSJYMUJNJ-KKUMJFAQSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980220517 696711265 /nfs/dbraw/zinc/71/12/65/696711265.db2.gz VLBDMYSJYMUJNJ-KKUMJFAQSA-N 2 2 302.422 1.663 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581781 695690045 /nfs/dbraw/zinc/69/00/45/695690045.db2.gz GYYJWGIIVMZDLC-OAHLLOKOSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581781 695690046 /nfs/dbraw/zinc/69/00/46/695690046.db2.gz GYYJWGIIVMZDLC-OAHLLOKOSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)CC1(C)C ZINC000974678694 695710626 /nfs/dbraw/zinc/71/06/26/695710626.db2.gz AASIXALABKYRFI-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)CC1(C)C ZINC000974678694 695710629 /nfs/dbraw/zinc/71/06/29/695710629.db2.gz AASIXALABKYRFI-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)CC1(C)C ZINC000974678694 695710631 /nfs/dbraw/zinc/71/06/31/695710631.db2.gz AASIXALABKYRFI-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)CC1(C)C ZINC000974678694 695710632 /nfs/dbraw/zinc/71/06/32/695710632.db2.gz AASIXALABKYRFI-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104158963 696618779 /nfs/dbraw/zinc/61/87/79/696618779.db2.gz IOFRATWQEYOBHK-OKILXGFUSA-N 2 2 314.474 1.205 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104158963 696618780 /nfs/dbraw/zinc/61/87/80/696618780.db2.gz IOFRATWQEYOBHK-OKILXGFUSA-N 2 2 314.474 1.205 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183288 696702765 /nfs/dbraw/zinc/70/27/65/696702765.db2.gz NXHOCWGCISCVCP-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183288 696702768 /nfs/dbraw/zinc/70/27/68/696702768.db2.gz NXHOCWGCISCVCP-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474874 697106175 /nfs/dbraw/zinc/10/61/75/697106175.db2.gz ZUTPMCDJDUFUSE-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474874 697106176 /nfs/dbraw/zinc/10/61/76/697106176.db2.gz ZUTPMCDJDUFUSE-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067105 697983429 /nfs/dbraw/zinc/98/34/29/697983429.db2.gz LWZWCXGOLGGMFK-CXAGYDPISA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260006 698062647 /nfs/dbraw/zinc/06/26/47/698062647.db2.gz LEYLYHRJPBTZEJ-BBRMVZONSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990119614 698960976 /nfs/dbraw/zinc/96/09/76/698960976.db2.gz CVGFAGIPOKOFQY-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990119614 698960977 /nfs/dbraw/zinc/96/09/77/698960977.db2.gz CVGFAGIPOKOFQY-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990119614 698960978 /nfs/dbraw/zinc/96/09/78/698960978.db2.gz CVGFAGIPOKOFQY-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990119614 698960979 /nfs/dbraw/zinc/96/09/79/698960979.db2.gz CVGFAGIPOKOFQY-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C[C@H](C#N)OCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711788680 699259866 /nfs/dbraw/zinc/25/98/66/699259866.db2.gz OIBRHXHETUYEAJ-AEFFLSMTSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711788680 699259869 /nfs/dbraw/zinc/25/98/69/699259869.db2.gz OIBRHXHETUYEAJ-AEFFLSMTSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711788680 699259870 /nfs/dbraw/zinc/25/98/70/699259870.db2.gz OIBRHXHETUYEAJ-AEFFLSMTSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711788680 699259873 /nfs/dbraw/zinc/25/98/73/699259873.db2.gz OIBRHXHETUYEAJ-AEFFLSMTSA-N 2 2 317.433 1.484 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991443117 699325554 /nfs/dbraw/zinc/32/55/54/699325554.db2.gz BHQCCUXQPFSYMF-RLFYNMQTSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991443117 699325555 /nfs/dbraw/zinc/32/55/55/699325555.db2.gz BHQCCUXQPFSYMF-RLFYNMQTSA-N 2 2 314.433 1.745 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000728982924 699461993 /nfs/dbraw/zinc/46/19/93/699461993.db2.gz XYGIMTGGXNRZSY-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000728982924 699461994 /nfs/dbraw/zinc/46/19/94/699461994.db2.gz XYGIMTGGXNRZSY-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C=NNCCCn1cc[nH+]c1 ZINC000848417212 703548320 /nfs/dbraw/zinc/54/83/20/703548320.db2.gz PLDPGCGBSJJDMN-UHFFFAOYSA-N 2 2 309.377 1.786 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819022739 704053764 /nfs/dbraw/zinc/05/37/64/704053764.db2.gz XDTSLTKKKWCVQU-INIZCTEOSA-N 2 2 305.378 1.868 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877009753 705957695 /nfs/dbraw/zinc/95/76/95/705957695.db2.gz YSRXSQCWQALYPM-UHFFFAOYSA-N 2 2 323.462 1.464 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000883372378 707986002 /nfs/dbraw/zinc/98/60/02/707986002.db2.gz YSLLAQQEMXFZHT-HNNXBMFYSA-N 2 2 318.421 1.037 20 30 DDEDLP C#C[C@@H]1COCC[NH+]1CCCCCC[N@H+]1CCOC[C@H]1C#C ZINC000839199077 708035932 /nfs/dbraw/zinc/03/59/32/708035932.db2.gz BBYFZIUHVHAXFO-QZTJIDSGSA-N 2 2 304.434 1.215 20 30 DDEDLP C#C[C@@H]1COCC[NH+]1CCCCCC[N@@H+]1CCOC[C@H]1C#C ZINC000839199077 708035933 /nfs/dbraw/zinc/03/59/33/708035933.db2.gz BBYFZIUHVHAXFO-QZTJIDSGSA-N 2 2 304.434 1.215 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000928653497 713253171 /nfs/dbraw/zinc/25/31/71/713253171.db2.gz OLUXZAHODUKWML-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000928653497 713253172 /nfs/dbraw/zinc/25/31/72/713253172.db2.gz OLUXZAHODUKWML-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309899 714062126 /nfs/dbraw/zinc/06/21/26/714062126.db2.gz UITSQFMXNKWNGH-SZMVWBNQSA-N 2 2 305.466 1.849 20 30 DDEDLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000931353160 714074651 /nfs/dbraw/zinc/07/46/51/714074651.db2.gz BBZISYDLOFDCRX-INIZCTEOSA-N 2 2 317.433 1.714 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923400665 714342841 /nfs/dbraw/zinc/34/28/41/714342841.db2.gz XLZONNFOOCXXDO-GDBMZVCRSA-N 2 2 301.390 1.172 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000923560038 714403607 /nfs/dbraw/zinc/40/36/07/714403607.db2.gz XTKFELRPCBZGBF-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000923560038 714403609 /nfs/dbraw/zinc/40/36/09/714403609.db2.gz XTKFELRPCBZGBF-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560038 714403611 /nfs/dbraw/zinc/40/36/11/714403611.db2.gz XTKFELRPCBZGBF-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560038 714403613 /nfs/dbraw/zinc/40/36/13/714403613.db2.gz XTKFELRPCBZGBF-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000926126087 715009811 /nfs/dbraw/zinc/00/98/11/715009811.db2.gz NNBFKNGXRGJPDM-UHFFFAOYSA-N 2 2 305.357 1.242 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157749 716840074 /nfs/dbraw/zinc/84/00/74/716840074.db2.gz NNTXWEQYGQKIQZ-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157749 716840076 /nfs/dbraw/zinc/84/00/76/716840076.db2.gz NNTXWEQYGQKIQZ-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171999 716847911 /nfs/dbraw/zinc/84/79/11/716847911.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171999 716847916 /nfs/dbraw/zinc/84/79/16/716847916.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171999 716847919 /nfs/dbraw/zinc/84/79/19/716847919.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961171999 716847923 /nfs/dbraw/zinc/84/79/23/716847923.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278226 716892040 /nfs/dbraw/zinc/89/20/40/716892040.db2.gz ZVGIBRZHGZGOHZ-JKSUJKDBSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278226 716892045 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CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001046768495 767906491 /nfs/dbraw/zinc/90/64/91/767906491.db2.gz YNTRVMZOZILAGR-SFHVURJKSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855764 760391963 /nfs/dbraw/zinc/39/19/63/760391963.db2.gz INUIQZUDYVKMMM-IRXDYDNUSA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855764 760391972 /nfs/dbraw/zinc/39/19/72/760391972.db2.gz INUIQZUDYVKMMM-IRXDYDNUSA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855764 760391991 /nfs/dbraw/zinc/39/19/91/760391991.db2.gz INUIQZUDYVKMMM-IRXDYDNUSA-N 2 2 305.466 1.805 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086093289 760970753 /nfs/dbraw/zinc/97/07/53/760970753.db2.gz JEHMFVCJFYSCHN-DVOMOZLQSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086093289 760970764 /nfs/dbraw/zinc/97/07/64/760970764.db2.gz JEHMFVCJFYSCHN-DVOMOZLQSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086129540 761021270 /nfs/dbraw/zinc/02/12/70/761021270.db2.gz ZTKQDMXJHOSVKA-MCIONIFRSA-N 2 2 302.422 1.493 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086129540 761021279 /nfs/dbraw/zinc/02/12/79/761021279.db2.gz ZTKQDMXJHOSVKA-MCIONIFRSA-N 2 2 302.422 1.493 20 30 DDEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000108799 761514069 /nfs/dbraw/zinc/51/40/69/761514069.db2.gz NMTCDPKDIXLGQQ-INIZCTEOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000108799 761514073 /nfs/dbraw/zinc/51/40/73/761514073.db2.gz NMTCDPKDIXLGQQ-INIZCTEOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001366938 762794747 /nfs/dbraw/zinc/79/47/47/762794747.db2.gz FHDFGYBPWKUGKC-UHFFFAOYSA-N 2 2 323.400 1.815 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001366938 762794751 /nfs/dbraw/zinc/79/47/51/762794751.db2.gz FHDFGYBPWKUGKC-UHFFFAOYSA-N 2 2 323.400 1.815 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001108731473 762889547 /nfs/dbraw/zinc/88/95/47/762889547.db2.gz SIFFTBGRQZTDTP-JYJNAYRXSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041417630 763016000 /nfs/dbraw/zinc/01/60/00/763016000.db2.gz FRHJORGHECOZGT-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041417630 763016006 /nfs/dbraw/zinc/01/60/06/763016006.db2.gz FRHJORGHECOZGT-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042172089 763737122 /nfs/dbraw/zinc/73/71/22/763737122.db2.gz BZTMIDYGLLHBLE-LSDHHAIUSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042172089 763737127 /nfs/dbraw/zinc/73/71/27/763737127.db2.gz BZTMIDYGLLHBLE-LSDHHAIUSA-N 2 2 322.840 1.949 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090428183 764007397 /nfs/dbraw/zinc/00/73/97/764007397.db2.gz SUFUFBPFZZNBFW-ZFWWWQNUSA-N 2 2 314.389 1.075 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090428183 764007405 /nfs/dbraw/zinc/00/74/05/764007405.db2.gz SUFUFBPFZZNBFW-ZFWWWQNUSA-N 2 2 314.389 1.075 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419073 765675172 /nfs/dbraw/zinc/67/51/72/765675172.db2.gz LUYJIXBNMVPFST-SJORKVTESA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419073 765675181 /nfs/dbraw/zinc/67/51/81/765675181.db2.gz LUYJIXBNMVPFST-SJORKVTESA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC001044815092 765830892 /nfs/dbraw/zinc/83/08/92/765830892.db2.gz DERIPIJUMQIVSP-LSDHHAIUSA-N 2 2 323.400 1.483 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504884 765895533 /nfs/dbraw/zinc/89/55/33/765895533.db2.gz JYRSWACLHKHNIK-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504884 765895537 /nfs/dbraw/zinc/89/55/37/765895537.db2.gz JYRSWACLHKHNIK-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434787 767562106 /nfs/dbraw/zinc/56/21/06/767562106.db2.gz RMTXHCGKSWGFBI-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434787 767562114 /nfs/dbraw/zinc/56/21/14/767562114.db2.gz RMTXHCGKSWGFBI-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240968 769618557 /nfs/dbraw/zinc/61/85/57/769618557.db2.gz CSWQEEGROTWMNT-GXTWGEPZSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133272283 769657671 /nfs/dbraw/zinc/65/76/71/769657671.db2.gz XYLKKVDVZKLYST-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758413 771137395 /nfs/dbraw/zinc/13/73/95/771137395.db2.gz KTPPJGOJYZRVCQ-IXDOHACOSA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049758413 771137397 /nfs/dbraw/zinc/13/73/97/771137397.db2.gz KTPPJGOJYZRVCQ-IXDOHACOSA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732501 771157417 /nfs/dbraw/zinc/15/74/17/771157417.db2.gz KEZPLMSOUCLRDH-KGLIPLIRSA-N 2 2 303.406 1.529 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138052 771352220 /nfs/dbraw/zinc/35/22/20/771352220.db2.gz WJDJWBJWYAVNNE-HUUCEWRRSA-N 2 2 308.426 1.349 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091228573 772634220 /nfs/dbraw/zinc/63/42/20/772634220.db2.gz HWALRVCUKMJWCW-RUXDESIVSA-N 2 2 302.422 1.890 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001074308309 773810514 /nfs/dbraw/zinc/81/05/14/773810514.db2.gz XBMBQMBHZOQVCQ-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001074308309 773810521 /nfs/dbraw/zinc/81/05/21/773810521.db2.gz XBMBQMBHZOQVCQ-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869278 775004162 /nfs/dbraw/zinc/00/41/62/775004162.db2.gz AJCKTXWSXKBNAY-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869278 775004169 /nfs/dbraw/zinc/00/41/69/775004169.db2.gz AJCKTXWSXKBNAY-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017007 775574403 /nfs/dbraw/zinc/57/44/03/775574403.db2.gz COPBRROLFQLSJO-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017007 775574412 /nfs/dbraw/zinc/57/44/12/775574412.db2.gz COPBRROLFQLSJO-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468573 775871428 /nfs/dbraw/zinc/87/14/28/775871428.db2.gz SKEIGKMJTPOCFE-VQIMIIECSA-N 2 2 322.412 1.942 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468573 775871432 /nfs/dbraw/zinc/87/14/32/775871432.db2.gz SKEIGKMJTPOCFE-VQIMIIECSA-N 2 2 322.412 1.942 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881999 775948820 /nfs/dbraw/zinc/94/88/20/775948820.db2.gz FDJUMBCRYRZCQP-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881999 775948826 /nfs/dbraw/zinc/94/88/26/775948826.db2.gz FDJUMBCRYRZCQP-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039681 776848980 /nfs/dbraw/zinc/84/89/80/776848980.db2.gz YFWYWUJJSFFLLH-PREGVCBESA-N 2 2 314.433 1.192 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360038 777762980 /nfs/dbraw/zinc/76/29/80/777762980.db2.gz WWWRWZKYQOHNHN-BZUAXINKSA-N 2 2 316.449 1.812 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157069 778465598 /nfs/dbraw/zinc/46/55/98/778465598.db2.gz PXYJPKFHGUDLOL-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157069 778465601 /nfs/dbraw/zinc/46/56/01/778465601.db2.gz PXYJPKFHGUDLOL-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022697 779250170 /nfs/dbraw/zinc/25/01/70/779250170.db2.gz SQTOQWBDGKGFQC-DZKIICNBSA-N 2 2 302.422 1.601 20 30 DDEDLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118222171 781065506 /nfs/dbraw/zinc/06/55/06/781065506.db2.gz RNLYTGWIDDZJTE-GFCCVEGCSA-N 2 2 302.369 1.195 20 30 DDEDLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118222171 781065512 /nfs/dbraw/zinc/06/55/12/781065512.db2.gz RNLYTGWIDDZJTE-GFCCVEGCSA-N 2 2 302.369 1.195 20 30 DDEDLP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267201301 837525332 /nfs/dbraw/zinc/52/53/32/837525332.db2.gz LTZOENBCKYVOFH-FVQBIDKESA-N 2 2 314.433 1.374 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267305910 837793932 /nfs/dbraw/zinc/79/39/32/837793932.db2.gz SXDWUPIEGNQHJF-QGZVFWFLSA-N 2 2 322.412 1.442 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267305910 837793938 /nfs/dbraw/zinc/79/39/38/837793938.db2.gz SXDWUPIEGNQHJF-QGZVFWFLSA-N 2 2 322.412 1.442 20 30 DDEDLP CC#CC[N@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001266406008 836213651 /nfs/dbraw/zinc/21/36/51/836213651.db2.gz QADBQSAXVNHYOI-UHFFFAOYSA-N 2 2 310.401 1.947 20 30 DDEDLP CC#CC[N@@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001266406008 836213658 /nfs/dbraw/zinc/21/36/58/836213658.db2.gz QADBQSAXVNHYOI-UHFFFAOYSA-N 2 2 310.401 1.947 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001266538307 836436165 /nfs/dbraw/zinc/43/61/65/836436165.db2.gz HEQLIOMFUNFZGC-AWEZNQCLSA-N 2 2 314.389 1.341 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266795484 836846870 /nfs/dbraw/zinc/84/68/70/836846870.db2.gz KSGHALUDNGOMMO-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001266873407 836979218 /nfs/dbraw/zinc/97/92/18/836979218.db2.gz XHDJBFHAFTWEEL-OAHLLOKOSA-N 2 2 310.401 1.942 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266879726 836988267 /nfs/dbraw/zinc/98/82/67/836988267.db2.gz XETMZSSFUBJEJM-RBSFLKMASA-N 2 2 300.406 1.128 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001279230985 837148393 /nfs/dbraw/zinc/14/83/93/837148393.db2.gz UVPUFDRNULHSMK-RBVVOMGSSA-N 2 2 300.406 1.335 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001279230985 837148400 /nfs/dbraw/zinc/14/84/00/837148400.db2.gz UVPUFDRNULHSMK-RBVVOMGSSA-N 2 2 300.406 1.335 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267861652 839093048 /nfs/dbraw/zinc/09/30/48/839093048.db2.gz CFOSSEOOYVLYIK-SUMWQHHRSA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267861652 839093054 /nfs/dbraw/zinc/09/30/54/839093054.db2.gz CFOSSEOOYVLYIK-SUMWQHHRSA-N 2 2 302.422 1.486 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCOC)C1 ZINC001268192871 839821888 /nfs/dbraw/zinc/82/18/88/839821888.db2.gz GNIGKONGFPUELU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCOC)C1 ZINC001268192871 839821896 /nfs/dbraw/zinc/82/18/96/839821896.db2.gz GNIGKONGFPUELU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCOC)C1 ZINC001268192871 839821903 /nfs/dbraw/zinc/82/19/03/839821903.db2.gz GNIGKONGFPUELU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCOC)C1 ZINC001268192871 839821908 /nfs/dbraw/zinc/82/19/08/839821908.db2.gz GNIGKONGFPUELU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268240594 839883950 /nfs/dbraw/zinc/88/39/50/839883950.db2.gz MGXYQEOXSCFOKR-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268240594 839883962 /nfs/dbraw/zinc/88/39/62/839883962.db2.gz MGXYQEOXSCFOKR-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP CC#CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001269564102 841770069 /nfs/dbraw/zinc/77/00/69/841770069.db2.gz XUMYGFONPIRWAQ-UHFFFAOYSA-N 2 2 310.401 1.990 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001269784546 842046272 /nfs/dbraw/zinc/04/62/72/842046272.db2.gz HSRNQODRZSRXRJ-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812994 842072816 /nfs/dbraw/zinc/07/28/16/842072816.db2.gz ZUCPKYWBLWFEIO-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001270261515 842438142 /nfs/dbraw/zinc/43/81/42/842438142.db2.gz SWCBEIDFZCOUEV-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001271444822 843599015 /nfs/dbraw/zinc/59/90/15/843599015.db2.gz BFLRANHGCCIFFL-UKRRQHHQSA-N 2 2 320.437 1.290 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001271450755 843614002 /nfs/dbraw/zinc/61/40/02/843614002.db2.gz WOBLVPOILREECU-UONOGXRCSA-N 2 2 302.422 1.537 20 30 DDEDLP C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272808918 847461665 /nfs/dbraw/zinc/46/16/65/847461665.db2.gz QGQHUAHDMSNRKP-QGZVFWFLSA-N 2 2 300.406 1.637 20 30 DDEDLP C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272808918 847461674 /nfs/dbraw/zinc/46/16/74/847461674.db2.gz QGQHUAHDMSNRKP-QGZVFWFLSA-N 2 2 300.406 1.637 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034250245 848158195 /nfs/dbraw/zinc/15/81/95/848158195.db2.gz RGPADJZBPKIWLR-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034250245 848158200 /nfs/dbraw/zinc/15/82/00/848158200.db2.gz RGPADJZBPKIWLR-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034250245 848158204 /nfs/dbraw/zinc/15/82/04/848158204.db2.gz RGPADJZBPKIWLR-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034250245 848158207 /nfs/dbraw/zinc/15/82/07/848158207.db2.gz RGPADJZBPKIWLR-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273529509 851061856 /nfs/dbraw/zinc/06/18/56/851061856.db2.gz IBPZEQSKPHOZFO-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273529509 851061863 /nfs/dbraw/zinc/06/18/63/851061863.db2.gz IBPZEQSKPHOZFO-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C#CCCC[N@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273542243 851078367 /nfs/dbraw/zinc/07/83/67/851078367.db2.gz IOUDGVPVSKFTFW-SFHVURJKSA-N 2 2 314.433 1.791 20 30 DDEDLP C#CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273542243 851078373 /nfs/dbraw/zinc/07/83/73/851078373.db2.gz IOUDGVPVSKFTFW-SFHVURJKSA-N 2 2 314.433 1.791 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001273669094 851205106 /nfs/dbraw/zinc/20/51/06/851205106.db2.gz MTJCORBYQCSSFT-HZPDHXFCSA-N 2 2 323.481 1.498 20 30 DDEDLP Cc1c[nH+]c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c(/C=N/O)c1 ZINC001155599751 862276436 /nfs/dbraw/zinc/27/64/36/862276436.db2.gz SKADFBFLTVBIRX-VPLQOWQTSA-N 2 2 304.394 1.769 20 30 DDEDLP C=CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001274653942 852488252 /nfs/dbraw/zinc/48/82/52/852488252.db2.gz BNKQPHRLVRISKM-HOTGVXAUSA-N 2 2 323.481 1.093 20 30 DDEDLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275416545 853093371 /nfs/dbraw/zinc/09/33/71/853093371.db2.gz WNHYYEMIAJXAEZ-HOTGVXAUSA-N 2 2 324.428 1.877 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560942 856978147 /nfs/dbraw/zinc/97/81/47/856978147.db2.gz CCKRUIHOJVRAEK-JKSUJKDBSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560942 856978157 /nfs/dbraw/zinc/97/81/57/856978157.db2.gz CCKRUIHOJVRAEK-JKSUJKDBSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328288358 862870582 /nfs/dbraw/zinc/87/05/82/862870582.db2.gz ZMGQCCJATYTGBV-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328288358 862870604 /nfs/dbraw/zinc/87/06/04/862870604.db2.gz ZMGQCCJATYTGBV-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(S)CC3)s2)CC1 ZINC001139323400 860363397 /nfs/dbraw/zinc/36/33/97/860363397.db2.gz JAYSOVKXDYXTQA-UHFFFAOYSA-N 2 2 312.508 1.789 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477144 863905156 /nfs/dbraw/zinc/90/51/56/863905156.db2.gz GBEWFLYJFRRASZ-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477144 863905171 /nfs/dbraw/zinc/90/51/71/863905171.db2.gz GBEWFLYJFRRASZ-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP Cc1ccc(CC#N)c(N2CCO[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC001158305290 864558380 /nfs/dbraw/zinc/55/83/80/864558380.db2.gz HBLJXQQMWHGKDF-MRXNPFEDSA-N 2 2 300.406 1.757 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001332063651 865541563 /nfs/dbraw/zinc/54/15/63/865541563.db2.gz HYCFEKHKYGQMCY-SJLPKXTDSA-N 2 2 322.412 1.514 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806323 866304369 /nfs/dbraw/zinc/30/43/69/866304369.db2.gz FIAJVAKGJOXYCP-CVEARBPZSA-N 2 2 316.449 1.777 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001324187231 867130456 /nfs/dbraw/zinc/13/04/56/867130456.db2.gz PPZRFAVPQACBQN-ZBFHGGJFSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)(COC)CC1 ZINC001162295879 867417521 /nfs/dbraw/zinc/41/75/21/867417521.db2.gz KLWLEQQUMYWIIQ-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)(COC)CC1 ZINC001162295879 867417531 /nfs/dbraw/zinc/41/75/31/867417531.db2.gz KLWLEQQUMYWIIQ-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324659136 867431767 /nfs/dbraw/zinc/43/17/67/867431767.db2.gz ZMNLNCVANOICKZ-NVXWUHKLSA-N 2 2 318.421 1.065 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324659136 867431774 /nfs/dbraw/zinc/43/17/74/867431774.db2.gz ZMNLNCVANOICKZ-NVXWUHKLSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001325532141 868114623 /nfs/dbraw/zinc/11/46/23/868114623.db2.gz RRQVKQQIGQNNEU-HOCLYGCPSA-N 2 2 315.417 1.340 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779319 869136107 /nfs/dbraw/zinc/13/61/07/869136107.db2.gz JAVOERQKTQSWTR-GDBMZVCRSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779319 869136114 /nfs/dbraw/zinc/13/61/14/869136114.db2.gz JAVOERQKTQSWTR-GDBMZVCRSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381608792 882310124 /nfs/dbraw/zinc/31/01/24/882310124.db2.gz ZRWFUZQVOQXABB-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317380612 870741673 /nfs/dbraw/zinc/74/16/73/870741673.db2.gz FKPADRVOBHOTMT-CQSZACIVSA-N 2 2 302.422 1.633 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317380612 870741681 /nfs/dbraw/zinc/74/16/81/870741681.db2.gz FKPADRVOBHOTMT-CQSZACIVSA-N 2 2 302.422 1.633 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203804501 870767215 /nfs/dbraw/zinc/76/72/15/870767215.db2.gz UHTCGECFWCYDLB-LSDHHAIUSA-N 2 2 302.422 1.866 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203813953 870773765 /nfs/dbraw/zinc/77/37/65/870773765.db2.gz GKVSVLJUFNMYOV-GJZGRUSLSA-N 2 2 318.421 1.103 20 30 DDEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001276439702 870928447 /nfs/dbraw/zinc/92/84/47/870928447.db2.gz JBLIAFSUHRETCR-UONOGXRCSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001276439702 870928458 /nfs/dbraw/zinc/92/84/58/870928458.db2.gz JBLIAFSUHRETCR-UONOGXRCSA-N 2 2 304.438 1.991 20 30 DDEDLP CSc1nc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1C#N ZINC001205681234 871691932 /nfs/dbraw/zinc/69/19/32/871691932.db2.gz HMMRSVXSDJISOI-OAHLLOKOSA-N 2 2 306.435 1.351 20 30 DDEDLP CSc1nc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1C#N ZINC001205681234 871691941 /nfs/dbraw/zinc/69/19/41/871691941.db2.gz HMMRSVXSDJISOI-OAHLLOKOSA-N 2 2 306.435 1.351 20 30 DDEDLP C=CCn1nnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001345107906 873259135 /nfs/dbraw/zinc/25/91/35/873259135.db2.gz GGEFERBHLDZUED-MJBXVCDLSA-N 2 2 322.482 1.615 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001345107906 873259150 /nfs/dbraw/zinc/25/91/50/873259150.db2.gz GGEFERBHLDZUED-MJBXVCDLSA-N 2 2 322.482 1.615 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC001346110135 873615523 /nfs/dbraw/zinc/61/55/23/873615523.db2.gz OBEHFGKCXUQCGZ-KRWDZBQOSA-N 2 2 318.417 1.424 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019071 882779391 /nfs/dbraw/zinc/77/93/91/882779391.db2.gz FICFRHMHRYHSGB-HZPDHXFCSA-N 2 2 316.449 1.967 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698751 875062787 /nfs/dbraw/zinc/06/27/87/875062787.db2.gz CVUWTUUVGDDMCL-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210669387 875482243 /nfs/dbraw/zinc/48/22/43/875482243.db2.gz WSMVNQKFBNUFLG-AWEZNQCLSA-N 2 2 320.437 1.471 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CC ZINC001276771465 877402780 /nfs/dbraw/zinc/40/27/80/877402780.db2.gz HLRBUVGBSQLVMG-DLBZAZTESA-N 2 2 316.449 1.903 20 30 DDEDLP N#Cc1ccc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1F ZINC001220449001 879025364 /nfs/dbraw/zinc/02/53/64/879025364.db2.gz GGLMVRFIIFFWLA-MRXNPFEDSA-N 2 2 312.348 1.586 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230019332 884280042 /nfs/dbraw/zinc/28/00/42/884280042.db2.gz UHVZSUVIWSIDND-HZPDHXFCSA-N 2 2 304.438 1.946 20 30 DDEDLP C=CCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246006434 892323682 /nfs/dbraw/zinc/32/36/82/892323682.db2.gz HWWUCUUMPBCVOJ-SJORKVTESA-N 2 2 320.433 1.754 20 30 DDEDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246152714 892445562 /nfs/dbraw/zinc/44/55/62/892445562.db2.gz NRTYDRQFBBENAQ-CJNGLKHVSA-N 2 2 303.406 1.749 20 30 DDEDLP C=C[C@@](C)(O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252550684 895265671 /nfs/dbraw/zinc/26/56/71/895265671.db2.gz NRXYRAGYUDXVFQ-QGZVFWFLSA-N 2 2 319.453 1.059 20 30 DDEDLP C=C[C@@](C)(O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252550684 895265684 /nfs/dbraw/zinc/26/56/84/895265684.db2.gz NRXYRAGYUDXVFQ-QGZVFWFLSA-N 2 2 319.453 1.059 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(C#N)s1 ZINC001390503859 899561112 /nfs/dbraw/zinc/56/11/12/899561112.db2.gz FSRFYYBISKOVJU-LLVKDONJSA-N 2 2 317.418 1.190 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001262558571 900243194 /nfs/dbraw/zinc/24/31/94/900243194.db2.gz JNJSPBBKTPABHI-MRXNPFEDSA-N 2 2 310.401 1.433 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265615590 902205045 /nfs/dbraw/zinc/20/50/45/902205045.db2.gz KZTDNIXGOGDILE-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001282739015 906005694 /nfs/dbraw/zinc/00/56/94/906005694.db2.gz RXMRZJCBHUWSAI-AWEZNQCLSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811782 906064625 /nfs/dbraw/zinc/06/46/25/906064625.db2.gz QAZBIPWXDGZLNT-HOTGVXAUSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811782 906064639 /nfs/dbraw/zinc/06/46/39/906064639.db2.gz QAZBIPWXDGZLNT-HOTGVXAUSA-N 2 2 316.449 1.930 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001316629212 907850235 /nfs/dbraw/zinc/85/02/35/907850235.db2.gz JLEPQAHZSAWYLZ-SHTZXODSSA-N 2 2 316.449 1.822 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001397171720 915336268 /nfs/dbraw/zinc/33/62/68/915336268.db2.gz KVSMDDQQUXMGLF-YPMHNXCESA-N 2 2 310.829 1.921 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000041873195 352316449 /nfs/dbraw/zinc/31/64/49/352316449.db2.gz OLGSIMLSTPTKJK-UHFFFAOYSA-N 2 2 324.428 1.967 20 30 DDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725220 191222391 /nfs/dbraw/zinc/22/23/91/191222391.db2.gz WXNBKERBZMCZBN-INIZCTEOSA-N 2 2 319.453 1.449 20 30 DDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725220 191222393 /nfs/dbraw/zinc/22/23/93/191222393.db2.gz WXNBKERBZMCZBN-INIZCTEOSA-N 2 2 319.453 1.449 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725220 191222395 /nfs/dbraw/zinc/22/23/95/191222395.db2.gz WXNBKERBZMCZBN-INIZCTEOSA-N 2 2 319.453 1.449 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N(CCC#N)CCC#N ZINC000072725220 191222398 /nfs/dbraw/zinc/22/23/98/191222398.db2.gz WXNBKERBZMCZBN-INIZCTEOSA-N 2 2 319.453 1.449 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000081647520 353686674 /nfs/dbraw/zinc/68/66/74/353686674.db2.gz VHBOGHVXQUPGLD-SFHVURJKSA-N 2 2 311.429 1.601 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000081647520 353686677 /nfs/dbraw/zinc/68/66/77/353686677.db2.gz VHBOGHVXQUPGLD-SFHVURJKSA-N 2 2 311.429 1.601 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cnc12 ZINC000592499224 355602051 /nfs/dbraw/zinc/60/20/51/355602051.db2.gz UHBZNHUPCKGRON-HNNXBMFYSA-N 2 2 307.361 1.635 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cnc12 ZINC000592499224 355602054 /nfs/dbraw/zinc/60/20/54/355602054.db2.gz UHBZNHUPCKGRON-HNNXBMFYSA-N 2 2 307.361 1.635 20 30 DDEDLP N#Cc1ccc(-c2cc(N3CC[NH+](CCC[NH3+])CC3)n[nH]2)cc1 ZINC000594738707 356303035 /nfs/dbraw/zinc/30/30/35/356303035.db2.gz MCCYIRHJPMLTNN-UHFFFAOYSA-N 2 2 310.405 1.419 20 30 DDEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597129949 357068285 /nfs/dbraw/zinc/06/82/85/357068285.db2.gz NGTFUZPDPVXPBL-OAHLLOKOSA-N 2 2 309.373 1.749 20 30 DDEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597129949 357068286 /nfs/dbraw/zinc/06/82/86/357068286.db2.gz NGTFUZPDPVXPBL-OAHLLOKOSA-N 2 2 309.373 1.749 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000598699735 357693526 /nfs/dbraw/zinc/69/35/26/357693526.db2.gz IKKRMBYPOHNDDO-KRWDZBQOSA-N 2 2 316.449 1.936 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600732086 358300350 /nfs/dbraw/zinc/30/03/50/358300350.db2.gz WRUTUHMQZBPUGZ-VNQPRFMTSA-N 2 2 307.438 1.130 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600732086 358300353 /nfs/dbraw/zinc/30/03/53/358300353.db2.gz WRUTUHMQZBPUGZ-VNQPRFMTSA-N 2 2 307.438 1.130 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000600758793 358309597 /nfs/dbraw/zinc/30/95/97/358309597.db2.gz WSJSWKUSFVGSAU-IRXDYDNUSA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCOCC1 ZINC000600758793 358309598 /nfs/dbraw/zinc/30/95/98/358309598.db2.gz WSJSWKUSFVGSAU-IRXDYDNUSA-N 2 2 321.465 1.664 20 30 DDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602334400 358935440 /nfs/dbraw/zinc/93/54/40/358935440.db2.gz RFWZNAJCPJDGRT-FUHWJXTLSA-N 2 2 314.433 1.469 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460893 358992713 /nfs/dbraw/zinc/99/27/13/358992713.db2.gz GNCDGLWUGJVSQU-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460893 358992716 /nfs/dbraw/zinc/99/27/16/358992716.db2.gz GNCDGLWUGJVSQU-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157284 360268441 /nfs/dbraw/zinc/26/84/41/360268441.db2.gz BDYJCWDPECPFGP-GOEBONIOSA-N 2 2 303.410 1.574 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157284 360268447 /nfs/dbraw/zinc/26/84/47/360268447.db2.gz BDYJCWDPECPFGP-GOEBONIOSA-N 2 2 303.410 1.574 20 30 DDEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611030906 360607196 /nfs/dbraw/zinc/60/71/96/360607196.db2.gz AMQCEBXZVFGGFU-HNNXBMFYSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611030906 360607201 /nfs/dbraw/zinc/60/72/01/360607201.db2.gz AMQCEBXZVFGGFU-HNNXBMFYSA-N 2 2 315.421 1.127 20 30 DDEDLP C=C[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(=O)OC ZINC000619703198 364121230 /nfs/dbraw/zinc/12/12/30/364121230.db2.gz XPUUQRBDBFWHEU-CQSZACIVSA-N 2 2 304.394 1.379 20 30 DDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000619721241 364131110 /nfs/dbraw/zinc/13/11/10/364131110.db2.gz XYTXIFJWNIBHJG-OAHLLOKOSA-N 2 2 309.454 1.064 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000266112476 205106599 /nfs/dbraw/zinc/10/65/99/205106599.db2.gz NALAYOHGDVSTJF-OAHLLOKOSA-N 2 2 309.454 1.276 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(Nc3cnc(C#N)cn3)CC2)CC1 ZINC000123037090 407317735 /nfs/dbraw/zinc/31/77/35/407317735.db2.gz AQNMROPZHODHFK-UHFFFAOYSA-N 2 2 300.410 1.319 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123439555 407328917 /nfs/dbraw/zinc/32/89/17/407328917.db2.gz MEVINFMZVIPZQI-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1C ZINC000123439555 407328918 /nfs/dbraw/zinc/32/89/18/407328918.db2.gz MEVINFMZVIPZQI-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439555 407328920 /nfs/dbraw/zinc/32/89/20/407328920.db2.gz MEVINFMZVIPZQI-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439555 407328921 /nfs/dbraw/zinc/32/89/21/407328921.db2.gz MEVINFMZVIPZQI-LSDHHAIUSA-N 2 2 306.454 1.744 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369736 407373347 /nfs/dbraw/zinc/37/33/47/407373347.db2.gz BUUQUWSTAWZONY-ZDUSSCGKSA-N 2 2 302.260 1.607 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369736 407373348 /nfs/dbraw/zinc/37/33/48/407373348.db2.gz BUUQUWSTAWZONY-ZDUSSCGKSA-N 2 2 302.260 1.607 20 30 DDEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265873933 407492909 /nfs/dbraw/zinc/49/29/09/407492909.db2.gz OGLPHGQQKWRBQT-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265873933 407492918 /nfs/dbraw/zinc/49/29/18/407492918.db2.gz OGLPHGQQKWRBQT-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP [NH2+]=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccccn1 ZINC000170910307 407549748 /nfs/dbraw/zinc/54/97/48/407549748.db2.gz ROQLTLSQZNPNCT-OAHLLOKOSA-N 2 2 321.450 1.016 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000121211293 408164659 /nfs/dbraw/zinc/16/46/59/408164659.db2.gz IQEWXAHUXYKGCP-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000121211293 408164664 /nfs/dbraw/zinc/16/46/64/408164664.db2.gz IQEWXAHUXYKGCP-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc[nH+]1 ZINC000134132555 162072702 /nfs/dbraw/zinc/07/27/02/162072702.db2.gz CWRQJMPVYYUFKI-UHFFFAOYSA-N 2 2 322.416 1.736 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191321055 408406561 /nfs/dbraw/zinc/40/65/61/408406561.db2.gz PWUINIDHYMFOOE-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP C[N@H+](CCOCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292750435 409040874 /nfs/dbraw/zinc/04/08/74/409040874.db2.gz IBYKTPVIKMUERW-UHFFFAOYSA-N 2 2 316.449 1.951 20 30 DDEDLP C[N@@H+](CCOCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292750435 409040878 /nfs/dbraw/zinc/04/08/78/409040878.db2.gz IBYKTPVIKMUERW-UHFFFAOYSA-N 2 2 316.449 1.951 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000328876518 409998135 /nfs/dbraw/zinc/99/81/35/409998135.db2.gz ZTQIZAXSHWVFAP-UHFFFAOYSA-N 2 2 307.442 1.335 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000328876518 409998147 /nfs/dbraw/zinc/99/81/47/409998147.db2.gz ZTQIZAXSHWVFAP-UHFFFAOYSA-N 2 2 307.442 1.335 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636741085 422952626 /nfs/dbraw/zinc/95/26/26/422952626.db2.gz CMYSNMPSUGJOBY-CQSZACIVSA-N 2 2 303.410 1.148 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375003189 418587824 /nfs/dbraw/zinc/58/78/24/418587824.db2.gz JEVVQCPEUXRTMV-UHFFFAOYSA-N 2 2 306.454 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375003189 418587827 /nfs/dbraw/zinc/58/78/27/418587827.db2.gz JEVVQCPEUXRTMV-UHFFFAOYSA-N 2 2 306.454 1.697 20 30 DDEDLP C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367402901 418596414 /nfs/dbraw/zinc/59/64/14/418596414.db2.gz MTWRGZQXFUJNPM-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367402901 418596417 /nfs/dbraw/zinc/59/64/17/418596417.db2.gz MTWRGZQXFUJNPM-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP CCc1ccc([C@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)cc1 ZINC000264125617 222322605 /nfs/dbraw/zinc/32/26/05/222322605.db2.gz SDYCIVAXTGRNGA-INIZCTEOSA-N 2 2 304.438 1.499 20 30 DDEDLP C#CCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367524631 418608272 /nfs/dbraw/zinc/60/82/72/418608272.db2.gz MXEYJTJSZVPIAL-MRXNPFEDSA-N 2 2 320.481 1.600 20 30 DDEDLP C#CCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367524631 418608274 /nfs/dbraw/zinc/60/82/74/418608274.db2.gz MXEYJTJSZVPIAL-MRXNPFEDSA-N 2 2 320.481 1.600 20 30 DDEDLP C[C@H]1CN(C(=O)NCCCCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367547183 418609785 /nfs/dbraw/zinc/60/97/85/418609785.db2.gz RRUFEZXVPQVNAL-HNNXBMFYSA-N 2 2 321.469 1.490 20 30 DDEDLP C[C@H]1CN(C(=O)NCCCCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367547183 418609788 /nfs/dbraw/zinc/60/97/88/418609788.db2.gz RRUFEZXVPQVNAL-HNNXBMFYSA-N 2 2 321.469 1.490 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264076446 222314278 /nfs/dbraw/zinc/31/42/78/222314278.db2.gz HIEHGFLIBNBRCE-MRXNPFEDSA-N 2 2 304.438 1.448 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264076446 222314281 /nfs/dbraw/zinc/31/42/81/222314281.db2.gz HIEHGFLIBNBRCE-MRXNPFEDSA-N 2 2 304.438 1.448 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264079782 222314526 /nfs/dbraw/zinc/31/45/26/222314526.db2.gz GXGAXEXMQUFCBW-OAHLLOKOSA-N 2 2 317.481 1.900 20 30 DDEDLP C#CCC(CC#C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376886431 418702169 /nfs/dbraw/zinc/70/21/69/418702169.db2.gz HOOMTHQTNWLOSB-GOSISDBHSA-N 2 2 315.461 1.276 20 30 DDEDLP C#CCC(CC#C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376886431 418702172 /nfs/dbraw/zinc/70/21/72/418702172.db2.gz HOOMTHQTNWLOSB-GOSISDBHSA-N 2 2 315.461 1.276 20 30 DDEDLP C=CCN(CC=C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372334 418732927 /nfs/dbraw/zinc/73/29/27/418732927.db2.gz IECDZGJTLNYZAE-OAHLLOKOSA-N 2 2 306.454 1.539 20 30 DDEDLP C=CCN(CC=C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372334 418732929 /nfs/dbraw/zinc/73/29/29/418732929.db2.gz IECDZGJTLNYZAE-OAHLLOKOSA-N 2 2 306.454 1.539 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371621587 418805279 /nfs/dbraw/zinc/80/52/79/418805279.db2.gz OYWCEVSETMAUGP-MRXNPFEDSA-N 2 2 322.497 1.169 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccncc3C#N)CC2)CC1 ZINC000372274895 418850480 /nfs/dbraw/zinc/85/04/80/418850480.db2.gz SSNFMIFTXDENJK-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(OC)c1O ZINC000415045249 419923509 /nfs/dbraw/zinc/92/35/09/419923509.db2.gz TXLXWYPITBKYBO-HNNXBMFYSA-N 2 2 306.406 1.597 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159612 424446256 /nfs/dbraw/zinc/44/62/56/424446256.db2.gz JQWNFHUBJOSOQZ-NVXWUHKLSA-N 2 2 321.465 1.107 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159612 424446263 /nfs/dbraw/zinc/44/62/63/424446263.db2.gz JQWNFHUBJOSOQZ-NVXWUHKLSA-N 2 2 321.465 1.107 20 30 DDEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330400943 276175840 /nfs/dbraw/zinc/17/58/40/276175840.db2.gz FCPUSGGRNHRKHK-OAHLLOKOSA-N 2 2 319.453 1.883 20 30 DDEDLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330400943 276175841 /nfs/dbraw/zinc/17/58/41/276175841.db2.gz FCPUSGGRNHRKHK-OAHLLOKOSA-N 2 2 319.453 1.883 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369598939 279224666 /nfs/dbraw/zinc/22/46/66/279224666.db2.gz GKCNIRHZJQYQBC-VQHPVUNQSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369598939 279224670 /nfs/dbraw/zinc/22/46/70/279224670.db2.gz GKCNIRHZJQYQBC-VQHPVUNQSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369598939 279224672 /nfs/dbraw/zinc/22/46/72/279224672.db2.gz GKCNIRHZJQYQBC-VQHPVUNQSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369598939 279224676 /nfs/dbraw/zinc/22/46/76/279224676.db2.gz GKCNIRHZJQYQBC-VQHPVUNQSA-N 2 2 318.465 1.411 20 30 DDEDLP C[C@H]1[N@H+](CC#CC[NH+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889699 280037431 /nfs/dbraw/zinc/03/74/31/280037431.db2.gz KZQAMDCKKBRIRA-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1[N@@H+](CC#CC[NH+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889699 280037434 /nfs/dbraw/zinc/03/74/34/280037434.db2.gz KZQAMDCKKBRIRA-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1[NH+](CC#CC[N@@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889699 280037435 /nfs/dbraw/zinc/03/74/35/280037435.db2.gz KZQAMDCKKBRIRA-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1[NH+](CC#CC[N@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889699 280037437 /nfs/dbraw/zinc/03/74/37/280037437.db2.gz KZQAMDCKKBRIRA-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438260 280103564 /nfs/dbraw/zinc/10/35/64/280103564.db2.gz JYLMMHYLOVGWDR-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438260 280103565 /nfs/dbraw/zinc/10/35/65/280103565.db2.gz JYLMMHYLOVGWDR-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438260 280103567 /nfs/dbraw/zinc/10/35/67/280103567.db2.gz JYLMMHYLOVGWDR-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438260 280103569 /nfs/dbraw/zinc/10/35/69/280103569.db2.gz JYLMMHYLOVGWDR-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264138878 293017497 /nfs/dbraw/zinc/01/74/97/293017497.db2.gz VTUQEKPFDSMGGE-KBPBESRZSA-N 2 2 308.426 1.746 20 30 DDEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563365999 333597094 /nfs/dbraw/zinc/59/70/94/333597094.db2.gz OQPBJOLIOPIFQB-HUUCEWRRSA-N 2 2 315.421 1.401 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000171713964 337088768 /nfs/dbraw/zinc/08/87/68/337088768.db2.gz YKQMTGICUHGUBQ-UHFFFAOYSA-N 2 2 317.437 1.833 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096355 341279547 /nfs/dbraw/zinc/27/95/47/341279547.db2.gz YEBUGDHDBGIESK-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096355 341279548 /nfs/dbraw/zinc/27/95/48/341279548.db2.gz YEBUGDHDBGIESK-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096355 341279549 /nfs/dbraw/zinc/27/95/49/341279549.db2.gz YEBUGDHDBGIESK-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096355 341279550 /nfs/dbraw/zinc/27/95/50/341279550.db2.gz YEBUGDHDBGIESK-CVEARBPZSA-N 2 2 320.481 1.991 20 30 DDEDLP C=CC[C@H](CO)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574323901 341755270 /nfs/dbraw/zinc/75/52/70/341755270.db2.gz OBFGKAQAPZKVPK-HOTGVXAUSA-N 2 2 317.433 1.788 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985212 484930443 /nfs/dbraw/zinc/93/04/43/484930443.db2.gz HSUXOHSXZIEXRT-KRWDZBQOSA-N 2 2 321.465 1.374 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985212 484930449 /nfs/dbraw/zinc/93/04/49/484930449.db2.gz HSUXOHSXZIEXRT-KRWDZBQOSA-N 2 2 321.465 1.374 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346204369 526787334 /nfs/dbraw/zinc/78/73/34/526787334.db2.gz BEDIHVUQXCPXJZ-CVEARBPZSA-N 2 2 309.454 1.110 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000491774956 527268728 /nfs/dbraw/zinc/26/87/28/527268728.db2.gz USRPEMCVAAWEEL-MRXNPFEDSA-N 2 2 308.470 1.312 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000491774956 527268732 /nfs/dbraw/zinc/26/87/32/527268732.db2.gz USRPEMCVAAWEEL-MRXNPFEDSA-N 2 2 308.470 1.312 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341123687 528853006 /nfs/dbraw/zinc/85/30/06/528853006.db2.gz INTQNQRUXUNGSA-GDBMZVCRSA-N 2 2 305.426 1.648 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341123687 528853009 /nfs/dbraw/zinc/85/30/09/528853009.db2.gz INTQNQRUXUNGSA-GDBMZVCRSA-N 2 2 305.426 1.648 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751243 695726110 /nfs/dbraw/zinc/72/61/10/695726110.db2.gz KKIXYMUXKDVWTO-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751243 695726111 /nfs/dbraw/zinc/72/61/11/695726111.db2.gz KKIXYMUXKDVWTO-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998846 695775323 /nfs/dbraw/zinc/77/53/23/695775323.db2.gz WBUVMDZLPBACKI-AWEZNQCLSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998846 695775324 /nfs/dbraw/zinc/77/53/24/695775324.db2.gz WBUVMDZLPBACKI-AWEZNQCLSA-N 2 2 313.873 1.907 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978503034 696397139 /nfs/dbraw/zinc/39/71/39/696397139.db2.gz RNKKMUUCWNCFKV-OSYLJGHBSA-N 2 2 311.429 1.938 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978503034 696397142 /nfs/dbraw/zinc/39/71/42/696397142.db2.gz RNKKMUUCWNCFKV-OSYLJGHBSA-N 2 2 311.429 1.938 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712125 696444679 /nfs/dbraw/zinc/44/46/79/696444679.db2.gz OAPBVLORPNPUSG-SYQHCUMBSA-N 2 2 300.406 1.310 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712125 696444680 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CCNC(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)=[NH+]CC ZINC000304295118 698617831 /nfs/dbraw/zinc/61/78/31/698617831.db2.gz KKJOIWRRLYPDJP-UHFFFAOYSA-N 3 2 309.502 1.512 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552256 700320124 /nfs/dbraw/zinc/32/01/24/700320124.db2.gz FODJGRHDBKDXMH-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552256 700320126 /nfs/dbraw/zinc/32/01/26/700320126.db2.gz FODJGRHDBKDXMH-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP CC(C)[N@H+](C)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758220977 700690963 /nfs/dbraw/zinc/69/09/63/700690963.db2.gz DHUWRIZDKSOOQW-UHFFFAOYSA-N 2 2 302.422 1.730 20 30 DDEDLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758220977 700690964 /nfs/dbraw/zinc/69/09/64/700690964.db2.gz DHUWRIZDKSOOQW-UHFFFAOYSA-N 2 2 302.422 1.730 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000764508869 700974368 /nfs/dbraw/zinc/97/43/68/700974368.db2.gz SYFPDBYHDNNWSM-YFHOEESVSA-N 2 2 313.445 1.962 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764624969 700979259 /nfs/dbraw/zinc/97/92/59/700979259.db2.gz UNJBZFSMXNJHIT-CVEARBPZSA-N 2 2 323.387 1.944 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764624969 700979260 /nfs/dbraw/zinc/97/92/60/700979260.db2.gz UNJBZFSMXNJHIT-CVEARBPZSA-N 2 2 323.387 1.944 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1cccs1 ZINC000825891838 705742686 /nfs/dbraw/zinc/74/26/86/705742686.db2.gz URPNDBWTVQWMMT-UHFFFAOYSA-N 2 2 319.474 1.584 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1cccs1 ZINC000825891838 705742688 /nfs/dbraw/zinc/74/26/88/705742688.db2.gz URPNDBWTVQWMMT-UHFFFAOYSA-N 2 2 319.474 1.584 20 30 DDEDLP C#CCCCCCC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152238 705998581 /nfs/dbraw/zinc/99/85/81/705998581.db2.gz JHJHNLWDGDWPSJ-QGZVFWFLSA-N 2 2 321.465 1.093 20 30 DDEDLP C=C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000893022063 710543121 /nfs/dbraw/zinc/54/31/21/710543121.db2.gz JNHCWAFAWFPWAR-HNNXBMFYSA-N 2 2 306.454 1.517 20 30 DDEDLP C=C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000893022063 710543122 /nfs/dbraw/zinc/54/31/22/710543122.db2.gz JNHCWAFAWFPWAR-HNNXBMFYSA-N 2 2 306.454 1.517 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824203 711292020 /nfs/dbraw/zinc/29/20/20/711292020.db2.gz NCZMYQFAZOTFDX-IRXDYDNUSA-N 2 2 313.401 1.453 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824203 711292024 /nfs/dbraw/zinc/29/20/24/711292024.db2.gz NCZMYQFAZOTFDX-IRXDYDNUSA-N 2 2 313.401 1.453 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000923409343 714346367 /nfs/dbraw/zinc/34/63/67/714346367.db2.gz HXUJIOJMKRFNLF-HIFRSBDPSA-N 2 2 308.422 1.442 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000923409343 714346369 /nfs/dbraw/zinc/34/63/69/714346369.db2.gz HXUJIOJMKRFNLF-HIFRSBDPSA-N 2 2 308.422 1.442 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957557823 715953009 /nfs/dbraw/zinc/95/30/09/715953009.db2.gz IZNBJSLYJAQRJV-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957557823 715953012 /nfs/dbraw/zinc/95/30/12/715953012.db2.gz IZNBJSLYJAQRJV-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366941 717761919 /nfs/dbraw/zinc/76/19/19/717761919.db2.gz NLGWXQSTACCANV-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963366941 717761924 /nfs/dbraw/zinc/76/19/24/717761924.db2.gz NLGWXQSTACCANV-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000963581218 717836462 /nfs/dbraw/zinc/83/64/62/717836462.db2.gz IJPVPOCJFLVJPB-FHERZECASA-N 2 2 314.433 1.438 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566135 719552353 /nfs/dbraw/zinc/55/23/53/719552353.db2.gz KEXYYOFHNKSHNV-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566135 719552356 /nfs/dbraw/zinc/55/23/56/719552356.db2.gz KEXYYOFHNKSHNV-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549710 719660275 /nfs/dbraw/zinc/66/02/75/719660275.db2.gz WPCNSIDIBGLQOI-GXTWGEPZSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549710 719660276 /nfs/dbraw/zinc/66/02/76/719660276.db2.gz WPCNSIDIBGLQOI-GXTWGEPZSA-N 2 2 311.857 1.661 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948986096 719825190 /nfs/dbraw/zinc/82/51/90/719825190.db2.gz HZPMVHYKFCIUAX-AEFFLSMTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948986096 719825196 /nfs/dbraw/zinc/82/51/96/719825196.db2.gz HZPMVHYKFCIUAX-AEFFLSMTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986096 719825200 /nfs/dbraw/zinc/82/52/00/719825200.db2.gz HZPMVHYKFCIUAX-AEFFLSMTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948986096 719825203 /nfs/dbraw/zinc/82/52/03/719825203.db2.gz HZPMVHYKFCIUAX-AEFFLSMTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037849 719934299 /nfs/dbraw/zinc/93/42/99/719934299.db2.gz NHMZCZMNDUKKME-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037849 719934302 /nfs/dbraw/zinc/93/43/02/719934302.db2.gz NHMZCZMNDUKKME-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000952441718 721449577 /nfs/dbraw/zinc/44/95/77/721449577.db2.gz FKMKXWRTCDFFBY-UHFFFAOYSA-N 2 2 319.453 1.167 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585886 735328599 /nfs/dbraw/zinc/32/85/99/735328599.db2.gz OOXUMRSGIRKPFA-ZIAGYGMSSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585886 735328604 /nfs/dbraw/zinc/32/86/04/735328604.db2.gz OOXUMRSGIRKPFA-ZIAGYGMSSA-N 2 2 300.406 1.291 20 30 DDEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020636683 732584170 /nfs/dbraw/zinc/58/41/70/732584170.db2.gz DGISYIVPRJULGD-MGCOHNPYSA-N 2 2 313.199 1.098 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752896 733513981 /nfs/dbraw/zinc/51/39/81/733513981.db2.gz AICLMYWISJLNMM-CABCVRRESA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752896 733513985 /nfs/dbraw/zinc/51/39/85/733513985.db2.gz AICLMYWISJLNMM-CABCVRRESA-N 2 2 322.840 1.949 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022590474 734625543 /nfs/dbraw/zinc/62/55/43/734625543.db2.gz FNRDWWQPYCKBAM-LZWOXQAQSA-N 2 2 307.438 1.053 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001022590474 734625544 /nfs/dbraw/zinc/62/55/44/734625544.db2.gz FNRDWWQPYCKBAM-LZWOXQAQSA-N 2 2 307.438 1.053 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250254 734985101 /nfs/dbraw/zinc/98/51/01/734985101.db2.gz YXGMKFOFXMIWEE-WBVHZDCISA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250254 734985104 /nfs/dbraw/zinc/98/51/04/734985104.db2.gz YXGMKFOFXMIWEE-WBVHZDCISA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250254 734985106 /nfs/dbraw/zinc/98/51/06/734985106.db2.gz YXGMKFOFXMIWEE-WBVHZDCISA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250254 734985110 /nfs/dbraw/zinc/98/51/10/734985110.db2.gz YXGMKFOFXMIWEE-WBVHZDCISA-N 2 2 303.450 1.465 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453587 735245588 /nfs/dbraw/zinc/24/55/88/735245588.db2.gz CEDCEHVRNYIHGV-AWEZNQCLSA-N 2 2 318.421 1.201 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453587 735245590 /nfs/dbraw/zinc/24/55/90/735245590.db2.gz CEDCEHVRNYIHGV-AWEZNQCLSA-N 2 2 318.421 1.201 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646865 735998681 /nfs/dbraw/zinc/99/86/81/735998681.db2.gz HZLVNHBAKNPGEI-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646865 735998685 /nfs/dbraw/zinc/99/86/85/735998685.db2.gz HZLVNHBAKNPGEI-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309737 736034456 /nfs/dbraw/zinc/03/44/56/736034456.db2.gz LDGBJCOBTANCJK-COXVUDFISA-N 2 2 314.433 1.581 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309737 736034459 /nfs/dbraw/zinc/03/44/59/736034459.db2.gz LDGBJCOBTANCJK-COXVUDFISA-N 2 2 314.433 1.581 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309740 736034493 /nfs/dbraw/zinc/03/44/93/736034493.db2.gz LDGBJCOBTANCJK-XYPHTWIQSA-N 2 2 314.433 1.581 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087309740 736034496 /nfs/dbraw/zinc/03/44/96/736034496.db2.gz LDGBJCOBTANCJK-XYPHTWIQSA-N 2 2 314.433 1.581 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763797 736074745 /nfs/dbraw/zinc/07/47/45/736074745.db2.gz KSNSMYBBNPNQHI-CQSZACIVSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763797 736074749 /nfs/dbraw/zinc/07/47/49/736074749.db2.gz KSNSMYBBNPNQHI-CQSZACIVSA-N 2 2 302.422 1.918 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289516 736412703 /nfs/dbraw/zinc/41/27/03/736412703.db2.gz PSNZUYKMNZSJKV-IRXDYDNUSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289516 736412705 /nfs/dbraw/zinc/41/27/05/736412705.db2.gz PSNZUYKMNZSJKV-IRXDYDNUSA-N 2 2 314.433 1.441 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104776130 737193496 /nfs/dbraw/zinc/19/34/96/737193496.db2.gz ZWXUAKCMBQOZFS-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104776130 737193501 /nfs/dbraw/zinc/19/35/01/737193501.db2.gz ZWXUAKCMBQOZFS-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038366679 737438565 /nfs/dbraw/zinc/43/85/65/737438565.db2.gz IHGPFNAJCXKVMJ-ROUUACIJSA-N 2 2 315.461 1.775 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038366679 737438566 /nfs/dbraw/zinc/43/85/66/737438566.db2.gz IHGPFNAJCXKVMJ-ROUUACIJSA-N 2 2 315.461 1.775 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038366679 737438568 /nfs/dbraw/zinc/43/85/68/737438568.db2.gz IHGPFNAJCXKVMJ-ROUUACIJSA-N 2 2 315.461 1.775 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038366679 737438569 /nfs/dbraw/zinc/43/85/69/737438569.db2.gz IHGPFNAJCXKVMJ-ROUUACIJSA-N 2 2 315.461 1.775 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001026408468 737498941 /nfs/dbraw/zinc/49/89/41/737498941.db2.gz DKRRRMAYNASWRK-NUEKZKHPSA-N 2 2 302.422 1.365 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468777 738322635 /nfs/dbraw/zinc/32/26/35/738322635.db2.gz OPEDKUNWBQYKET-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468777 738322639 /nfs/dbraw/zinc/32/26/39/738322639.db2.gz OPEDKUNWBQYKET-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001028601307 739779132 /nfs/dbraw/zinc/77/91/32/739779132.db2.gz MWYRKDORUMEVJL-CABCVRRESA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001028601307 739779134 /nfs/dbraw/zinc/77/91/34/739779134.db2.gz MWYRKDORUMEVJL-CABCVRRESA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=C)Cl)C1 ZINC001028601307 739779139 /nfs/dbraw/zinc/77/91/39/739779139.db2.gz MWYRKDORUMEVJL-CABCVRRESA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=C)Cl)C1 ZINC001028601307 739779143 /nfs/dbraw/zinc/77/91/43/739779143.db2.gz MWYRKDORUMEVJL-CABCVRRESA-N 2 2 309.841 1.275 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035422942 751481625 /nfs/dbraw/zinc/48/16/25/751481625.db2.gz HHHASNVLAOICGO-CVEARBPZSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035422942 751481628 /nfs/dbraw/zinc/48/16/28/751481628.db2.gz HHHASNVLAOICGO-CVEARBPZSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035422942 751481630 /nfs/dbraw/zinc/48/16/30/751481630.db2.gz HHHASNVLAOICGO-CVEARBPZSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035422942 751481635 /nfs/dbraw/zinc/48/16/35/751481635.db2.gz HHHASNVLAOICGO-CVEARBPZSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434053 741493073 /nfs/dbraw/zinc/49/30/73/741493073.db2.gz NRWCAXBDJLKMAH-AWEZNQCLSA-N 2 2 310.829 1.996 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679732 742073240 /nfs/dbraw/zinc/07/32/40/742073240.db2.gz WPITXKBAVYXTNQ-FMKPAKJESA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679732 742073243 /nfs/dbraw/zinc/07/32/43/742073243.db2.gz WPITXKBAVYXTNQ-FMKPAKJESA-N 2 2 302.422 1.601 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168366013 742475717 /nfs/dbraw/zinc/47/57/17/742475717.db2.gz ARZIIDJGNQRINJ-MRXNPFEDSA-N 2 2 314.433 1.194 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242539 742622255 /nfs/dbraw/zinc/62/22/55/742622255.db2.gz IWCDBWJIZMJEMG-AEGPPILISA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242539 742622258 /nfs/dbraw/zinc/62/22/58/742622258.db2.gz IWCDBWJIZMJEMG-AEGPPILISA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242539 742622264 /nfs/dbraw/zinc/62/22/64/742622264.db2.gz IWCDBWJIZMJEMG-AEGPPILISA-N 2 2 311.857 1.613 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181946131 743403647 /nfs/dbraw/zinc/40/36/47/743403647.db2.gz CPBLKSFWIMFVFU-IIDMSEBBSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001181946786 743404447 /nfs/dbraw/zinc/40/44/47/743404447.db2.gz IJNDDXLBBUXMPF-IIDMSEBBSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030316175 744045002 /nfs/dbraw/zinc/04/50/02/744045002.db2.gz ZDJGQHWFCUMADE-OAHLLOKOSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030316175 744045007 /nfs/dbraw/zinc/04/50/07/744045007.db2.gz ZDJGQHWFCUMADE-OAHLLOKOSA-N 2 2 303.450 1.465 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001184653921 744078490 /nfs/dbraw/zinc/07/84/90/744078490.db2.gz UCIQQQMFZLYIBG-HUUCEWRRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185381893 744212344 /nfs/dbraw/zinc/21/23/44/744212344.db2.gz UMHFVYOTMYFOEM-CABCVRRESA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185786807 744285647 /nfs/dbraw/zinc/28/56/47/744285647.db2.gz BGKBEFUINFDYTI-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789103 744286696 /nfs/dbraw/zinc/28/66/96/744286696.db2.gz RXIJEKDKLPJQRB-JKSUJKDBSA-N 2 2 320.437 1.160 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035815488 751917765 /nfs/dbraw/zinc/91/77/65/751917765.db2.gz MCBMNOGVUIAVHD-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035815488 751917767 /nfs/dbraw/zinc/91/77/67/751917767.db2.gz MCBMNOGVUIAVHD-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992797078 745204425 /nfs/dbraw/zinc/20/44/25/745204425.db2.gz XFYOGABEDNEHLS-BZUAXINKSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992870782 745261076 /nfs/dbraw/zinc/26/10/76/745261076.db2.gz IPPMDUCCMIUISI-USXIJHARSA-N 2 2 316.449 1.755 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990236 745397903 /nfs/dbraw/zinc/39/79/03/745397903.db2.gz ZHPXZZFGQUBTAM-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990236 745397910 /nfs/dbraw/zinc/39/79/10/745397910.db2.gz ZHPXZZFGQUBTAM-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009800 745402530 /nfs/dbraw/zinc/40/25/30/745402530.db2.gz INPXHFKTOYYFGE-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009800 745402534 /nfs/dbraw/zinc/40/25/34/745402534.db2.gz INPXHFKTOYYFGE-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010406 745404062 /nfs/dbraw/zinc/40/40/62/745404062.db2.gz LVAMDHUJXBIHKC-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010406 745404063 /nfs/dbraw/zinc/40/40/63/745404063.db2.gz LVAMDHUJXBIHKC-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333231 745610015 /nfs/dbraw/zinc/61/00/15/745610015.db2.gz FKGDAOORGUPTFZ-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464305 745723265 /nfs/dbraw/zinc/72/32/65/745723265.db2.gz RYPXUYRBYYTHIN-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292881 745746655 /nfs/dbraw/zinc/74/66/55/745746655.db2.gz CTZODVKWDITVMS-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292881 745746657 /nfs/dbraw/zinc/74/66/57/745746657.db2.gz CTZODVKWDITVMS-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580945 745831599 /nfs/dbraw/zinc/83/15/99/745831599.db2.gz 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C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196340766 746837524 /nfs/dbraw/zinc/83/75/24/746837524.db2.gz JDXAWTDDFBAEJV-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C[C@@H](CO)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198035964 747356631 /nfs/dbraw/zinc/35/66/31/747356631.db2.gz GFIYYMLXMYQWKY-KRWDZBQOSA-N 2 2 319.449 1.347 20 30 DDEDLP C=C[C@@H](CO)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198035964 747356639 /nfs/dbraw/zinc/35/66/39/747356639.db2.gz GFIYYMLXMYQWKY-KRWDZBQOSA-N 2 2 319.449 1.347 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031686127 747377275 /nfs/dbraw/zinc/37/72/75/747377275.db2.gz JLOIGKTVWBGGKG-MRXNPFEDSA-N 2 2 317.437 1.414 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686127 747377281 /nfs/dbraw/zinc/37/72/81/747377281.db2.gz JLOIGKTVWBGGKG-MRXNPFEDSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089818562 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POZMGQXLSKPFKQ-KRWDZBQOSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCC2)C1 ZINC001042960525 764554357 /nfs/dbraw/zinc/55/43/57/764554357.db2.gz POZMGQXLSKPFKQ-KRWDZBQOSA-N 2 2 303.450 1.417 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001051211266 764626073 /nfs/dbraw/zinc/62/60/73/764626073.db2.gz BGALWJHMGDSUSJ-CQSZACIVSA-N 2 2 318.421 1.154 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001051211266 764626077 /nfs/dbraw/zinc/62/60/77/764626077.db2.gz BGALWJHMGDSUSJ-CQSZACIVSA-N 2 2 318.421 1.154 20 30 DDEDLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(C3(C#N)CC3)cc[nH+]2)O1 ZINC001170278841 766234428 /nfs/dbraw/zinc/23/44/28/766234428.db2.gz RLCKTASIQLBFBT-IIAWOOMASA-N 2 2 316.405 1.773 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045487460 766345326 /nfs/dbraw/zinc/34/53/26/766345326.db2.gz YNMWJBRZBQOQSL-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405089 767500786 /nfs/dbraw/zinc/50/07/86/767500786.db2.gz WTQSPLYCXVDOMO-CQSZACIVSA-N 2 2 323.400 1.223 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491440 767555127 /nfs/dbraw/zinc/55/51/27/767555127.db2.gz SQKMTAAFNJJDFR-GXTWGEPZSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491440 767555131 /nfs/dbraw/zinc/55/51/31/767555131.db2.gz SQKMTAAFNJJDFR-GXTWGEPZSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433810 767559370 /nfs/dbraw/zinc/55/93/70/767559370.db2.gz IALJSADEVIXRMF-KBXCAEBGSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433810 767559376 /nfs/dbraw/zinc/55/93/76/767559376.db2.gz IALJSADEVIXRMF-KBXCAEBGSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433810 767559381 /nfs/dbraw/zinc/55/93/81/767559381.db2.gz IALJSADEVIXRMF-KBXCAEBGSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433810 767559395 /nfs/dbraw/zinc/55/93/95/767559395.db2.gz IALJSADEVIXRMF-KBXCAEBGSA-N 2 2 316.449 1.980 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289301 769668432 /nfs/dbraw/zinc/66/84/32/769668432.db2.gz SMGGUYYHTNHSGN-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606509 769705607 /nfs/dbraw/zinc/70/56/07/769705607.db2.gz JJTUGJSXMAGFGY-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606509 769705614 /nfs/dbraw/zinc/70/56/14/769705614.db2.gz JJTUGJSXMAGFGY-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899362 770079631 /nfs/dbraw/zinc/07/96/31/770079631.db2.gz OCAHPJFIAZIKDS-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899362 770079643 /nfs/dbraw/zinc/07/96/43/770079643.db2.gz OCAHPJFIAZIKDS-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527887 770979891 /nfs/dbraw/zinc/97/98/91/770979891.db2.gz WIACXSFCGDCVMK-MUIFIZLQSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527887 770979896 /nfs/dbraw/zinc/97/98/96/770979896.db2.gz WIACXSFCGDCVMK-MUIFIZLQSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527887 770979901 /nfs/dbraw/zinc/97/99/01/770979901.db2.gz WIACXSFCGDCVMK-MUIFIZLQSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527887 770979909 /nfs/dbraw/zinc/97/99/09/770979909.db2.gz WIACXSFCGDCVMK-MUIFIZLQSA-N 2 2 312.417 1.602 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001134394062 770999426 /nfs/dbraw/zinc/99/94/26/770999426.db2.gz WNLFWZYGUDLROT-UHFFFAOYSA-N 2 2 316.792 1.363 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848424 771205339 /nfs/dbraw/zinc/20/53/39/771205339.db2.gz KJHIZWOKFDEYHN-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848424 771205342 /nfs/dbraw/zinc/20/53/42/771205342.db2.gz KJHIZWOKFDEYHN-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086737234 771537557 /nfs/dbraw/zinc/53/75/57/771537557.db2.gz CBORDNIXFVDFIC-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097156558 771645773 /nfs/dbraw/zinc/64/57/73/771645773.db2.gz ILJCCBYVHPGCAS-KFWWJZLASA-N 2 2 317.458 1.778 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097156558 771645780 /nfs/dbraw/zinc/64/57/80/771645780.db2.gz ILJCCBYVHPGCAS-KFWWJZLASA-N 2 2 317.458 1.778 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105868 772528629 /nfs/dbraw/zinc/52/86/29/772528629.db2.gz XNIMTTDVUULJRZ-MOKVOYLWSA-N 2 2 322.840 1.682 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146716310 772925259 /nfs/dbraw/zinc/92/52/59/772925259.db2.gz YYVDTLOGXODRIH-HZPDHXFCSA-N 2 2 322.453 1.739 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091754631 773630268 /nfs/dbraw/zinc/63/02/68/773630268.db2.gz WIBWVLKYTDWNRW-ADAWSYLGSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091754631 773630272 /nfs/dbraw/zinc/63/02/72/773630272.db2.gz WIBWVLKYTDWNRW-ADAWSYLGSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091754631 773630276 /nfs/dbraw/zinc/63/02/76/773630276.db2.gz WIBWVLKYTDWNRW-ADAWSYLGSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091754631 773630280 /nfs/dbraw/zinc/63/02/80/773630280.db2.gz WIBWVLKYTDWNRW-ADAWSYLGSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001074266357 773778524 /nfs/dbraw/zinc/77/85/24/773778524.db2.gz IWOMKWNMXVPMLD-HOTGVXAUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001074266357 773778529 /nfs/dbraw/zinc/77/85/29/773778529.db2.gz IWOMKWNMXVPMLD-HOTGVXAUSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093101389 774394022 /nfs/dbraw/zinc/39/40/22/774394022.db2.gz VWAAMVNNERUFCR-NVXWUHKLSA-N 2 2 322.412 1.803 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093101389 774394029 /nfs/dbraw/zinc/39/40/29/774394029.db2.gz VWAAMVNNERUFCR-NVXWUHKLSA-N 2 2 322.412 1.803 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748606 774470135 /nfs/dbraw/zinc/47/01/35/774470135.db2.gz IHKXVEPZXNOMIH-JKSUJKDBSA-N 2 2 314.433 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@H]21 ZINC001036748606 774470138 /nfs/dbraw/zinc/47/01/38/774470138.db2.gz IHKXVEPZXNOMIH-JKSUJKDBSA-N 2 2 314.433 1.483 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440026 776157642 /nfs/dbraw/zinc/15/76/42/776157642.db2.gz GUPFSLJRWVMIEM-UHFFFAOYSA-N 2 2 301.390 1.140 20 30 DDEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546893 777236831 /nfs/dbraw/zinc/23/68/31/777236831.db2.gz WQGJGHNFWHQWAP-UHFFFAOYSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546893 777236840 /nfs/dbraw/zinc/23/68/40/777236840.db2.gz WQGJGHNFWHQWAP-UHFFFAOYSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603248 778234512 /nfs/dbraw/zinc/23/45/12/778234512.db2.gz XAACBCSOHOSZJG-DJIMGWMZSA-N 2 2 314.433 1.002 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603248 778234517 /nfs/dbraw/zinc/23/45/17/778234517.db2.gz XAACBCSOHOSZJG-DJIMGWMZSA-N 2 2 314.433 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603249 778235343 /nfs/dbraw/zinc/23/53/43/778235343.db2.gz XAACBCSOHOSZJG-OIISXLGYSA-N 2 2 314.433 1.002 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603249 778235345 /nfs/dbraw/zinc/23/53/45/778235345.db2.gz XAACBCSOHOSZJG-OIISXLGYSA-N 2 2 314.433 1.002 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643426 778977045 /nfs/dbraw/zinc/97/70/45/778977045.db2.gz JFQUGEPCOWEBRJ-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643426 778977055 /nfs/dbraw/zinc/97/70/55/778977055.db2.gz JFQUGEPCOWEBRJ-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688272 778996162 /nfs/dbraw/zinc/99/61/62/778996162.db2.gz SSJTZOVTONDXIZ-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688272 778996166 /nfs/dbraw/zinc/99/61/66/778996166.db2.gz SSJTZOVTONDXIZ-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267305908 837793303 /nfs/dbraw/zinc/79/33/03/837793303.db2.gz SXDWUPIEGNQHJF-KRWDZBQOSA-N 2 2 322.412 1.442 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267305908 837793308 /nfs/dbraw/zinc/79/33/08/837793308.db2.gz SXDWUPIEGNQHJF-KRWDZBQOSA-N 2 2 322.412 1.442 20 30 DDEDLP C=C(C)CC[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267375762 837941715 /nfs/dbraw/zinc/94/17/15/837941715.db2.gz UPRHWWBHPRQPMM-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001267964782 839283150 /nfs/dbraw/zinc/28/31/50/839283150.db2.gz HANAZPMROOJZIE-JKSUJKDBSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001268181900 839804888 /nfs/dbraw/zinc/80/48/88/839804888.db2.gz YRAFXHIMGJYQSV-GJZGRUSLSA-N 2 2 316.449 1.927 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001269234917 841392670 /nfs/dbraw/zinc/39/26/70/841392670.db2.gz GIPREXMHQLWFPO-HUUCEWRRSA-N 2 2 302.422 1.610 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001269234917 841392683 /nfs/dbraw/zinc/39/26/83/841392683.db2.gz GIPREXMHQLWFPO-HUUCEWRRSA-N 2 2 302.422 1.610 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422370801 842158055 /nfs/dbraw/zinc/15/80/55/842158055.db2.gz HERVKMOSPMLTLD-VHSXEESVSA-N 2 2 315.215 1.344 20 30 DDEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCC=C)CC1 ZINC001270352072 842508277 /nfs/dbraw/zinc/50/82/77/842508277.db2.gz YTBORADCRVHTDK-UHFFFAOYSA-N 2 2 300.406 1.455 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270664270 842792948 /nfs/dbraw/zinc/79/29/48/842792948.db2.gz DVMKNVTVQSLLBY-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270664270 842792955 /nfs/dbraw/zinc/79/29/55/842792955.db2.gz DVMKNVTVQSLLBY-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001270700824 842830972 /nfs/dbraw/zinc/83/09/72/842830972.db2.gz LJNDOCDVDNQDNI-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001270700824 842830981 /nfs/dbraw/zinc/83/09/81/842830981.db2.gz LJNDOCDVDNQDNI-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001326488841 861403770 /nfs/dbraw/zinc/40/37/70/861403770.db2.gz ADCKNSSVNRLXTQ-HNNXBMFYSA-N 2 2 324.428 1.953 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001271550839 843697950 /nfs/dbraw/zinc/69/79/50/843697950.db2.gz HBLJENXIMQWFIY-OAHLLOKOSA-N 2 2 310.401 1.942 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001326658223 861516550 /nfs/dbraw/zinc/51/65/50/861516550.db2.gz HHWPXEIMGPMVRZ-MRXNPFEDSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001326658223 861516563 /nfs/dbraw/zinc/51/65/63/861516563.db2.gz HHWPXEIMGPMVRZ-MRXNPFEDSA-N 2 2 309.454 1.111 20 30 DDEDLP COC(=O)[C@@H]([NH3+])C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001155154748 861781344 /nfs/dbraw/zinc/78/13/44/861781344.db2.gz ZIVQHACOEQGPFD-INIZCTEOSA-N 2 2 324.384 1.823 20 30 DDEDLP C#CCCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275975524 854055306 /nfs/dbraw/zinc/05/53/06/854055306.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 3 2 300.450 1.940 20 30 DDEDLP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275975524 854055310 /nfs/dbraw/zinc/05/53/10/854055310.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 3 2 300.450 1.940 20 30 DDEDLP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275975524 854055318 /nfs/dbraw/zinc/05/53/18/854055318.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 3 2 300.450 1.940 20 30 DDEDLP C#CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275975524 854055325 /nfs/dbraw/zinc/05/53/25/854055325.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 3 2 300.450 1.940 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049555948 856971341 /nfs/dbraw/zinc/97/13/41/856971341.db2.gz BQWOOSRIVDYZTJ-BZUAXINKSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049555948 856971346 /nfs/dbraw/zinc/97/13/46/856971346.db2.gz BQWOOSRIVDYZTJ-BZUAXINKSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835041 858608835 /nfs/dbraw/zinc/60/88/35/858608835.db2.gz GSJNSUXZSOHUDY-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001328632518 863121025 /nfs/dbraw/zinc/12/10/25/863121025.db2.gz WLYSYNFHUIQZHG-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258963 864520526 /nfs/dbraw/zinc/52/05/26/864520526.db2.gz MYFCAWGOTYWXTN-GFCCVEGCSA-N 2 2 319.840 1.917 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258963 864520531 /nfs/dbraw/zinc/52/05/31/864520531.db2.gz MYFCAWGOTYWXTN-GFCCVEGCSA-N 2 2 319.840 1.917 20 30 DDEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001331503134 865122123 /nfs/dbraw/zinc/12/21/23/865122123.db2.gz HTAKTTKNIMJGCL-CQSZACIVSA-N 2 2 314.389 1.034 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225591421 881924406 /nfs/dbraw/zinc/92/44/06/881924406.db2.gz UKGQRSUFMZYBOW-QGZVFWFLSA-N 2 2 316.449 1.699 20 30 DDEDLP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847295 866338195 /nfs/dbraw/zinc/33/81/95/866338195.db2.gz HDLJBOFUFOLBRN-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847295 866338217 /nfs/dbraw/zinc/33/82/17/866338217.db2.gz HDLJBOFUFOLBRN-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC ZINC001323147882 866382698 /nfs/dbraw/zinc/38/26/98/866382698.db2.gz HUHNHGZNIMDSHH-HZPDHXFCSA-N 2 2 302.422 1.513 20 30 DDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1noc(C)c1C#N ZINC001319920694 866383837 /nfs/dbraw/zinc/38/38/37/866383837.db2.gz PGSZFMXPBXYCCS-UHFFFAOYSA-N 2 2 322.328 1.925 20 30 DDEDLP COCC#CC[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001320061383 866451384 /nfs/dbraw/zinc/45/13/84/866451384.db2.gz KHLQHYMVFAMOQN-UHFFFAOYSA-N 2 2 320.437 1.012 20 30 DDEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001320061383 866451387 /nfs/dbraw/zinc/45/13/87/866451387.db2.gz KHLQHYMVFAMOQN-UHFFFAOYSA-N 2 2 320.437 1.012 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205544 868045779 /nfs/dbraw/zinc/04/57/79/868045779.db2.gz ISDSVEAKUGZUJC-CQSZACIVSA-N 2 2 316.405 1.587 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205544 868045790 /nfs/dbraw/zinc/04/57/90/868045790.db2.gz ISDSVEAKUGZUJC-CQSZACIVSA-N 2 2 316.405 1.587 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165835886 869728224 /nfs/dbraw/zinc/72/82/24/869728224.db2.gz KBLHEGQUIJIORL-CQSZACIVSA-N 2 2 314.433 1.332 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165835886 869728240 /nfs/dbraw/zinc/72/82/40/869728240.db2.gz KBLHEGQUIJIORL-CQSZACIVSA-N 2 2 314.433 1.332 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317685915 871408589 /nfs/dbraw/zinc/40/85/89/871408589.db2.gz MKBICWAXQVAUQR-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317685915 871408593 /nfs/dbraw/zinc/40/85/93/871408593.db2.gz MKBICWAXQVAUQR-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317767340 871479447 /nfs/dbraw/zinc/47/94/47/871479447.db2.gz OPKKKMCEVFDKIN-QGZVFWFLSA-N 2 2 316.449 1.918 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317767340 871479451 /nfs/dbraw/zinc/47/94/51/871479451.db2.gz OPKKKMCEVFDKIN-QGZVFWFLSA-N 2 2 316.449 1.918 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502042 871591257 /nfs/dbraw/zinc/59/12/57/871591257.db2.gz BKLQVXUSHPWPMW-OAHLLOKOSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502042 871591269 /nfs/dbraw/zinc/59/12/69/871591269.db2.gz BKLQVXUSHPWPMW-OAHLLOKOSA-N 2 2 318.396 1.340 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318338737 871944060 /nfs/dbraw/zinc/94/40/60/871944060.db2.gz ZSTAMOVWBQBBKV-HZPDHXFCSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318338737 871944071 /nfs/dbraw/zinc/94/40/71/871944071.db2.gz ZSTAMOVWBQBBKV-HZPDHXFCSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238369 872153489 /nfs/dbraw/zinc/15/34/89/872153489.db2.gz NXCNTSDZASZWLV-CQSZACIVSA-N 2 2 302.422 1.844 20 30 DDEDLP C#CC[NH2+]C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001318745265 872242758 /nfs/dbraw/zinc/24/27/58/872242758.db2.gz MTRBKIRHXZKSOK-RDJZCZTQSA-N 2 2 302.422 1.561 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210438406 875389224 /nfs/dbraw/zinc/38/92/24/875389224.db2.gz RONUBXPZSIYWMN-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001379045538 876220909 /nfs/dbraw/zinc/22/09/09/876220909.db2.gz YMGQAWMXXGUVDM-UONOGXRCSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001379045538 876220923 /nfs/dbraw/zinc/22/09/23/876220923.db2.gz YMGQAWMXXGUVDM-UONOGXRCSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001379045538 876220936 /nfs/dbraw/zinc/22/09/36/876220936.db2.gz YMGQAWMXXGUVDM-UONOGXRCSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001379045538 876220897 /nfs/dbraw/zinc/22/08/97/876220897.db2.gz YMGQAWMXXGUVDM-UONOGXRCSA-N 2 2 301.862 1.859 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105707 878707141 /nfs/dbraw/zinc/70/71/41/878707141.db2.gz IOMURLMNMMLKHQ-CVEARBPZSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105707 878707155 /nfs/dbraw/zinc/70/71/55/878707155.db2.gz IOMURLMNMMLKHQ-CVEARBPZSA-N 2 2 320.437 1.181 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480370 879050943 /nfs/dbraw/zinc/05/09/43/879050943.db2.gz WPSBULMBTJWUAT-CABCVRRESA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220480370 879050956 /nfs/dbraw/zinc/05/09/56/879050956.db2.gz WPSBULMBTJWUAT-CABCVRRESA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715019 883143501 /nfs/dbraw/zinc/14/35/01/883143501.db2.gz OKYZVGOZSZNNJU-UHFFFAOYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715019 883143503 /nfs/dbraw/zinc/14/35/03/883143503.db2.gz OKYZVGOZSZNNJU-UHFFFAOYSA-N 2 2 306.410 1.126 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccn1 ZINC001362246288 883398541 /nfs/dbraw/zinc/39/85/41/883398541.db2.gz FCTXPQBDRKXPTM-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccn1 ZINC001362246288 883398557 /nfs/dbraw/zinc/39/85/57/883398557.db2.gz FCTXPQBDRKXPTM-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230035041 884288414 /nfs/dbraw/zinc/28/84/14/884288414.db2.gz PDUQCXBIQPQSEW-CQSZACIVSA-N 2 2 304.438 1.898 20 30 DDEDLP N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763531 892874955 /nfs/dbraw/zinc/87/49/55/892874955.db2.gz BJZJNQHJFLKGEK-MJGOQNOKSA-N 2 2 324.428 1.739 20 30 DDEDLP N#Cc1cccc(N2C[C@@]3(CC[N@H+]([C@@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763531 892874964 /nfs/dbraw/zinc/87/49/64/892874964.db2.gz BJZJNQHJFLKGEK-MJGOQNOKSA-N 2 2 324.428 1.739 20 30 DDEDLP CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001264371399 901052715 /nfs/dbraw/zinc/05/27/15/901052715.db2.gz VHTKKWVEDSUTRS-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001264371399 901052723 /nfs/dbraw/zinc/05/27/23/901052723.db2.gz VHTKKWVEDSUTRS-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001264520307 901165320 /nfs/dbraw/zinc/16/53/20/901165320.db2.gz JSDSKOWXOUNBBY-GOEBONIOSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001264565724 901185171 /nfs/dbraw/zinc/18/51/71/901185171.db2.gz RFAIGISHCHLNMW-WBVHZDCISA-N 2 2 316.449 1.593 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001391238672 901301270 /nfs/dbraw/zinc/30/12/70/901301270.db2.gz DCGCVPBGLCZBQV-ZDUSSCGKSA-N 2 2 310.829 1.852 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102061 902944649 /nfs/dbraw/zinc/94/46/49/902944649.db2.gz BRYSQGRHDNQMPH-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102061 902944661 /nfs/dbraw/zinc/94/46/61/902944661.db2.gz BRYSQGRHDNQMPH-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001371324338 904703097 /nfs/dbraw/zinc/70/30/97/904703097.db2.gz SPMVZNLMGPGHLU-AWEZNQCLSA-N 2 2 311.389 1.439 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283773024 907936892 /nfs/dbraw/zinc/93/68/92/907936892.db2.gz VSEABTFHIMMBMS-OCCSQVGLSA-N 2 2 316.405 1.598 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001284377657 908911403 /nfs/dbraw/zinc/91/14/03/908911403.db2.gz YMMUBQHPHTYVEE-PWSUYJOCSA-N 2 2 316.327 1.365 20 30 DDEDLP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001377996775 923634943 /nfs/dbraw/zinc/63/49/43/923634943.db2.gz OYUVHVQYAMCNHC-KRWDZBQOSA-N 2 2 314.433 1.446 20 30 DDEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NC ZINC000449769188 529681698 /nfs/dbraw/zinc/68/16/98/529681698.db2.gz CWILWCLJJABRDS-QGZVFWFLSA-N 2 2 314.433 1.637 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000081646428 353686820 /nfs/dbraw/zinc/68/68/20/353686820.db2.gz GTIGQPQSAAZGKE-IBGZPJMESA-N 2 2 313.445 1.751 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cnc12 ZINC000592499225 355602394 /nfs/dbraw/zinc/60/23/94/355602394.db2.gz UHBZNHUPCKGRON-OAHLLOKOSA-N 2 2 307.361 1.635 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cnc12 ZINC000592499225 355602396 /nfs/dbraw/zinc/60/23/96/355602396.db2.gz UHBZNHUPCKGRON-OAHLLOKOSA-N 2 2 307.361 1.635 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035692 356095092 /nfs/dbraw/zinc/09/50/92/356095092.db2.gz PSTOMJJZZYJRQG-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035692 356095097 /nfs/dbraw/zinc/09/50/97/356095097.db2.gz PSTOMJJZZYJRQG-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000601331517 358502542 /nfs/dbraw/zinc/50/25/42/358502542.db2.gz CGOMYQMDQFHBIW-MRXNPFEDSA-N 2 2 302.422 1.269 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287640 357875982 /nfs/dbraw/zinc/87/59/82/357875982.db2.gz MPKLKEBZOXCDSA-CVEARBPZSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287640 357875984 /nfs/dbraw/zinc/87/59/84/357875984.db2.gz MPKLKEBZOXCDSA-CVEARBPZSA-N 2 2 318.421 1.591 20 30 DDEDLP C=CCCOCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477736 358570369 /nfs/dbraw/zinc/57/03/69/358570369.db2.gz UCUGNAAPMDRVBI-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCOCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477736 358570375 /nfs/dbraw/zinc/57/03/75/358570375.db2.gz UCUGNAAPMDRVBI-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H](C)C#N ZINC000091983556 193136483 /nfs/dbraw/zinc/13/64/83/193136483.db2.gz QAMKNALNNXSBDQ-CQSZACIVSA-N 2 2 302.426 1.210 20 30 DDEDLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H](C)C#N ZINC000091983556 193136485 /nfs/dbraw/zinc/13/64/85/193136485.db2.gz QAMKNALNNXSBDQ-CQSZACIVSA-N 2 2 302.426 1.210 20 30 DDEDLP COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271849999 209266624 /nfs/dbraw/zinc/26/66/24/209266624.db2.gz IMBOCESWLUVIQC-QGZVFWFLSA-N 2 2 303.406 1.120 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794008 194285291 /nfs/dbraw/zinc/28/52/91/194285291.db2.gz CBHXCTHJNSRAPA-INIZCTEOSA-N 2 2 303.410 1.574 20 30 DDEDLP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000179246143 407762388 /nfs/dbraw/zinc/76/23/88/407762388.db2.gz KHMDKVFIUGPKAD-HNNXBMFYSA-N 2 2 311.451 1.647 20 30 DDEDLP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000179246143 407762392 /nfs/dbraw/zinc/76/23/92/407762392.db2.gz KHMDKVFIUGPKAD-HNNXBMFYSA-N 2 2 311.451 1.647 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C)(C#N)CC3)cn2)CC1 ZINC000272481755 407940834 /nfs/dbraw/zinc/94/08/34/407940834.db2.gz CFXIJQPKUJTHSQ-UHFFFAOYSA-N 2 2 314.437 1.354 20 30 DDEDLP CO[C@@H](C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000181626921 408019480 /nfs/dbraw/zinc/01/94/80/408019480.db2.gz PZUFPDGRJSAZKT-ZDUSSCGKSA-N 2 2 321.421 1.315 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158892557 408368486 /nfs/dbraw/zinc/36/84/86/408368486.db2.gz GHSOPOHTTZNONG-BZUAXINKSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158892557 408368491 /nfs/dbraw/zinc/36/84/91/408368491.db2.gz GHSOPOHTTZNONG-BZUAXINKSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158892557 408368498 /nfs/dbraw/zinc/36/84/98/408368498.db2.gz GHSOPOHTTZNONG-BZUAXINKSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158892557 408368505 /nfs/dbraw/zinc/36/85/05/408368505.db2.gz GHSOPOHTTZNONG-BZUAXINKSA-N 2 2 306.454 1.411 20 30 DDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000264142283 408380059 /nfs/dbraw/zinc/38/00/59/408380059.db2.gz QVMQLWAUKJHNKI-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264355992 408459691 /nfs/dbraw/zinc/45/96/91/408459691.db2.gz NMIUDSIMIVNTRA-CQSZACIVSA-N 2 2 317.437 1.949 20 30 DDEDLP C=C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000264442721 408491003 /nfs/dbraw/zinc/49/10/03/408491003.db2.gz GEDASVXSNCFPSG-UHFFFAOYSA-N 2 2 314.433 1.772 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277331650 408920637 /nfs/dbraw/zinc/92/06/37/408920637.db2.gz MSWOZBDKWYNUOT-HNNXBMFYSA-N 2 2 304.463 1.694 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277331650 408920639 /nfs/dbraw/zinc/92/06/39/408920639.db2.gz MSWOZBDKWYNUOT-HNNXBMFYSA-N 2 2 304.463 1.694 20 30 DDEDLP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1C#N ZINC000282108316 408992320 /nfs/dbraw/zinc/99/23/20/408992320.db2.gz AAGRIWMOOBQBMY-UHFFFAOYSA-N 2 2 323.400 1.988 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@H]2CCCCO2)cc1 ZINC000282483905 409056023 /nfs/dbraw/zinc/05/60/23/409056023.db2.gz TWLUHINNCJSRGA-INIZCTEOSA-N 2 2 321.421 1.928 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000345504884 409684398 /nfs/dbraw/zinc/68/43/98/409684398.db2.gz FDVUWEOWGJCSKP-UONOGXRCSA-N 2 2 315.408 1.798 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328602012 409934614 /nfs/dbraw/zinc/93/46/14/409934614.db2.gz GMFMKMUNLDKFJH-RRFJBIMHSA-N 2 2 317.437 1.891 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328602012 409934621 /nfs/dbraw/zinc/93/46/21/409934621.db2.gz GMFMKMUNLDKFJH-RRFJBIMHSA-N 2 2 317.437 1.891 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000328664432 409950807 /nfs/dbraw/zinc/95/08/07/409950807.db2.gz YMVGNCCDOOLTIG-GJZGRUSLSA-N 2 2 317.437 1.763 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000328664432 409950810 /nfs/dbraw/zinc/95/08/10/409950810.db2.gz YMVGNCCDOOLTIG-GJZGRUSLSA-N 2 2 317.437 1.763 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000330274922 410607951 /nfs/dbraw/zinc/60/79/51/410607951.db2.gz KUOHTVDFLMCGDS-KGLIPLIRSA-N 2 2 303.410 1.282 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000330274922 410607952 /nfs/dbraw/zinc/60/79/52/410607952.db2.gz KUOHTVDFLMCGDS-KGLIPLIRSA-N 2 2 303.410 1.282 20 30 DDEDLP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331243271 411037475 /nfs/dbraw/zinc/03/74/75/411037475.db2.gz RMCUHDFSLGNANT-OAHLLOKOSA-N 2 2 320.437 1.941 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000373992197 418480887 /nfs/dbraw/zinc/48/08/87/418480887.db2.gz KUMRFBVLTONFQC-GJZGRUSLSA-N 2 2 304.438 1.909 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360926906 418548699 /nfs/dbraw/zinc/54/86/99/418548699.db2.gz LAQDZKICTARUGD-IKGGRYGDSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360926906 418548702 /nfs/dbraw/zinc/54/87/02/418548702.db2.gz LAQDZKICTARUGD-IKGGRYGDSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360926906 418548704 /nfs/dbraw/zinc/54/87/04/418548704.db2.gz LAQDZKICTARUGD-IKGGRYGDSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360926906 418548708 /nfs/dbraw/zinc/54/87/08/418548708.db2.gz LAQDZKICTARUGD-IKGGRYGDSA-N 2 2 305.466 1.827 20 30 DDEDLP C#Cc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000367318096 418585029 /nfs/dbraw/zinc/58/50/29/418585029.db2.gz OVJMZJGDXSLXKS-IBGZPJMESA-N 2 2 313.445 1.164 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(Cc2cccs2)CC1 ZINC000261908163 222261383 /nfs/dbraw/zinc/26/13/83/222261383.db2.gz SOTSDCVBROFJLQ-UHFFFAOYSA-N 2 2 321.494 1.147 20 30 DDEDLP C[NH+]=C(NC[C@H](C)C(=O)OC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947019 222263282 /nfs/dbraw/zinc/26/32/82/222263282.db2.gz GEXXMTOZLYRHSG-IHRRRGAJSA-N 2 2 321.425 1.151 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1ccc2c(c1)CCC2 ZINC000262544330 222285582 /nfs/dbraw/zinc/28/55/82/222285582.db2.gz ULVDQQXHYUTOBF-UHFFFAOYSA-N 2 2 304.463 1.951 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC(C)(C)C)cc1 ZINC000267005222 222366607 /nfs/dbraw/zinc/36/66/07/222366607.db2.gz JOXKAWNVHIEZJX-UHFFFAOYSA-N 2 2 306.410 1.300 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377493566 418710370 /nfs/dbraw/zinc/71/03/70/418710370.db2.gz GVVWJXXXMSMFDF-CABCVRRESA-N 2 2 302.422 1.685 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377493567 418710903 /nfs/dbraw/zinc/71/09/03/418710903.db2.gz GVVWJXXXMSMFDF-GJZGRUSLSA-N 2 2 302.422 1.685 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808914 418688963 /nfs/dbraw/zinc/68/89/63/418688963.db2.gz DPAUMBWDELBMNX-GJZGRUSLSA-N 2 2 302.422 1.781 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808914 418688965 /nfs/dbraw/zinc/68/89/65/418688965.db2.gz DPAUMBWDELBMNX-GJZGRUSLSA-N 2 2 302.422 1.781 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414829 418765944 /nfs/dbraw/zinc/76/59/44/418765944.db2.gz RXELLHGIYUJKEM-IXDOHACOSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414829 418765947 /nfs/dbraw/zinc/76/59/47/418765947.db2.gz RXELLHGIYUJKEM-IXDOHACOSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414829 418765950 /nfs/dbraw/zinc/76/59/50/418765950.db2.gz RXELLHGIYUJKEM-IXDOHACOSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414829 418765951 /nfs/dbraw/zinc/76/59/51/418765951.db2.gz RXELLHGIYUJKEM-IXDOHACOSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692779 418801979 /nfs/dbraw/zinc/80/19/79/418801979.db2.gz AOHPSYDIHCOPRA-XIRDDKMYSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692779 418801980 /nfs/dbraw/zinc/80/19/80/418801980.db2.gz AOHPSYDIHCOPRA-XIRDDKMYSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364692779 418801982 /nfs/dbraw/zinc/80/19/82/418801982.db2.gz AOHPSYDIHCOPRA-XIRDDKMYSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364692779 418801984 /nfs/dbraw/zinc/80/19/84/418801984.db2.gz AOHPSYDIHCOPRA-XIRDDKMYSA-N 2 2 316.449 1.697 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144256 418929598 /nfs/dbraw/zinc/92/95/98/418929598.db2.gz ZNABDMVWZBBKGU-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144256 418929599 /nfs/dbraw/zinc/92/95/99/418929599.db2.gz ZNABDMVWZBBKGU-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144256 418929600 /nfs/dbraw/zinc/92/96/00/418929600.db2.gz ZNABDMVWZBBKGU-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144256 418929601 /nfs/dbraw/zinc/92/96/01/418929601.db2.gz ZNABDMVWZBBKGU-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421319726 419566297 /nfs/dbraw/zinc/56/62/97/419566297.db2.gz ATZRHZSTGRZHBG-INIZCTEOSA-N 2 2 305.397 1.880 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493079534 420751983 /nfs/dbraw/zinc/75/19/83/420751983.db2.gz DCOCIUAPPFDRKW-FPLPWBNLSA-N 2 2 323.400 1.885 20 30 DDEDLP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC000459791396 420873576 /nfs/dbraw/zinc/87/35/76/420873576.db2.gz NHXIQTTYWVOQJJ-KBPBESRZSA-N 2 2 300.410 1.158 20 30 DDEDLP C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000514856418 421460065 /nfs/dbraw/zinc/46/00/65/421460065.db2.gz ZVUCPWFLCYRFPD-HOTGVXAUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000514856418 421460069 /nfs/dbraw/zinc/46/00/69/421460069.db2.gz ZVUCPWFLCYRFPD-HOTGVXAUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000514856418 421460071 /nfs/dbraw/zinc/46/00/71/421460071.db2.gz ZVUCPWFLCYRFPD-HOTGVXAUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000514856418 421460073 /nfs/dbraw/zinc/46/00/73/421460073.db2.gz ZVUCPWFLCYRFPD-HOTGVXAUSA-N 2 2 310.486 1.293 20 30 DDEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)s1 ZINC000517238365 421603443 /nfs/dbraw/zinc/60/34/43/421603443.db2.gz BCGLGRZSCDUOPL-CQSZACIVSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)s1 ZINC000517238365 421603445 /nfs/dbraw/zinc/60/34/45/421603445.db2.gz BCGLGRZSCDUOPL-CQSZACIVSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NCC#N)C2)s1 ZINC000517238365 421603447 /nfs/dbraw/zinc/60/34/47/421603447.db2.gz BCGLGRZSCDUOPL-CQSZACIVSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NCC#N)C2)s1 ZINC000517238365 421603448 /nfs/dbraw/zinc/60/34/48/421603448.db2.gz BCGLGRZSCDUOPL-CQSZACIVSA-N 2 2 320.462 1.450 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000575039891 422240841 /nfs/dbraw/zinc/24/08/41/422240841.db2.gz FMKUZIGFVPCKMM-KMFMINBZSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000575039891 422240847 /nfs/dbraw/zinc/24/08/47/422240847.db2.gz FMKUZIGFVPCKMM-KMFMINBZSA-N 2 2 315.417 1.513 20 30 DDEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789097 423985626 /nfs/dbraw/zinc/98/56/26/423985626.db2.gz YPPRXCNOAFKABQ-BZSNNMDCSA-N 2 2 309.498 1.973 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159611 424444387 /nfs/dbraw/zinc/44/43/87/424444387.db2.gz JQWNFHUBJOSOQZ-DOTOQJQBSA-N 2 2 321.465 1.107 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159611 424444391 /nfs/dbraw/zinc/44/43/91/424444391.db2.gz JQWNFHUBJOSOQZ-DOTOQJQBSA-N 2 2 321.465 1.107 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361673962 280103340 /nfs/dbraw/zinc/10/33/40/280103340.db2.gz BDDKABPONCFQPF-KYHPRHEASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361673962 280103342 /nfs/dbraw/zinc/10/33/42/280103342.db2.gz BDDKABPONCFQPF-KYHPRHEASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361673962 280103345 /nfs/dbraw/zinc/10/33/45/280103345.db2.gz BDDKABPONCFQPF-KYHPRHEASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361673962 280103346 /nfs/dbraw/zinc/10/33/46/280103346.db2.gz BDDKABPONCFQPF-KYHPRHEASA-N 2 2 320.481 1.845 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000531045837 332227323 /nfs/dbraw/zinc/22/73/23/332227323.db2.gz DDUNJSAJUJSGCV-HNNXBMFYSA-N 2 2 300.406 1.745 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668369772 485135506 /nfs/dbraw/zinc/13/55/06/485135506.db2.gz DWGLXFJZVKDKPA-ZDUSSCGKSA-N 2 2 302.422 1.671 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668369772 485135509 /nfs/dbraw/zinc/13/55/09/485135509.db2.gz DWGLXFJZVKDKPA-ZDUSSCGKSA-N 2 2 302.422 1.671 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329851646 526576268 /nfs/dbraw/zinc/57/62/68/526576268.db2.gz QXBXWHWDVAIAHY-UHFFFAOYSA-N 2 2 303.410 1.653 20 30 DDEDLP C#C[C@H](CCC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491633577 527369050 /nfs/dbraw/zinc/36/90/50/527369050.db2.gz UKGLGMKCFACFFN-OAHLLOKOSA-N 2 2 320.481 1.646 20 30 DDEDLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330794770 527590894 /nfs/dbraw/zinc/59/08/94/527590894.db2.gz DBQNJCBRVGUUDY-UHFFFAOYSA-N 2 2 307.398 1.275 20 30 DDEDLP CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c[nH+]1 ZINC000424128367 528306157 /nfs/dbraw/zinc/30/61/57/528306157.db2.gz FIASSDSIPXDQNS-AWEZNQCLSA-N 2 2 303.410 1.565 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208886 696708563 /nfs/dbraw/zinc/70/85/63/696708563.db2.gz QFJIKXOKKCISHL-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208886 696708565 /nfs/dbraw/zinc/70/85/65/696708565.db2.gz QFJIKXOKKCISHL-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519705 695271556 /nfs/dbraw/zinc/27/15/56/695271556.db2.gz XZTACOZDRAWBAW-XYJFISCASA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519705 695271557 /nfs/dbraw/zinc/27/15/57/695271557.db2.gz XZTACOZDRAWBAW-XYJFISCASA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519705 695271558 /nfs/dbraw/zinc/27/15/58/695271558.db2.gz XZTACOZDRAWBAW-XYJFISCASA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519705 695271559 /nfs/dbraw/zinc/27/15/59/695271559.db2.gz XZTACOZDRAWBAW-XYJFISCASA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000972613002 695299150 /nfs/dbraw/zinc/29/91/50/695299150.db2.gz ZNWSARIZDCBBQP-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000972613002 695299151 /nfs/dbraw/zinc/29/91/51/695299151.db2.gz ZNWSARIZDCBBQP-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975051251 695785257 /nfs/dbraw/zinc/78/52/57/695785257.db2.gz WGZRYSCDVCSPKU-IIAWOOMASA-N 2 2 316.449 1.926 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975051251 695785259 /nfs/dbraw/zinc/78/52/59/695785259.db2.gz WGZRYSCDVCSPKU-IIAWOOMASA-N 2 2 316.449 1.926 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853549 696943238 /nfs/dbraw/zinc/94/32/38/696943238.db2.gz PNKDWUBPUFLVBC-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853549 696943241 /nfs/dbraw/zinc/94/32/41/696943241.db2.gz PNKDWUBPUFLVBC-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981855438 696944343 /nfs/dbraw/zinc/94/43/43/696944343.db2.gz DDPDNDOJWISEKF-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981855438 696944347 /nfs/dbraw/zinc/94/43/47/696944347.db2.gz DDPDNDOJWISEKF-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176243 697026324 /nfs/dbraw/zinc/02/63/24/697026324.db2.gz RASHXPACXLGKOR-OAHLLOKOSA-N 2 2 311.857 1.615 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176243 697026327 /nfs/dbraw/zinc/02/63/27/697026327.db2.gz RASHXPACXLGKOR-OAHLLOKOSA-N 2 2 311.857 1.615 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477571 697107120 /nfs/dbraw/zinc/10/71/20/697107120.db2.gz ZUUWRRVBTRISRM-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477571 697107121 /nfs/dbraw/zinc/10/71/21/697107121.db2.gz ZUUWRRVBTRISRM-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981484469 697108638 /nfs/dbraw/zinc/10/86/38/697108638.db2.gz RAIIULYJDMLCJD-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981484469 697108639 /nfs/dbraw/zinc/10/86/39/697108639.db2.gz RAIIULYJDMLCJD-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981484469 697108640 /nfs/dbraw/zinc/10/86/40/697108640.db2.gz RAIIULYJDMLCJD-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981484469 697108641 /nfs/dbraw/zinc/10/86/41/697108641.db2.gz RAIIULYJDMLCJD-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C[NH+]=C(NCCn1cccn1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160008756 697314116 /nfs/dbraw/zinc/31/41/16/697314116.db2.gz WFGZDTQHJWTAFF-GJZGRUSLSA-N 2 2 315.425 1.238 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433264 697510626 /nfs/dbraw/zinc/51/06/26/697510626.db2.gz KXCJCGPVTWJWPQ-UHFFFAOYSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000985433264 697510628 /nfs/dbraw/zinc/51/06/28/697510628.db2.gz KXCJCGPVTWJWPQ-UHFFFAOYSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000985749688 697567858 /nfs/dbraw/zinc/56/78/58/697567858.db2.gz RXWZCOQQGMWTTE-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000985749688 697567860 /nfs/dbraw/zinc/56/78/60/697567860.db2.gz RXWZCOQQGMWTTE-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]1C ZINC000986420650 697807881 /nfs/dbraw/zinc/80/78/81/697807881.db2.gz VQEYLMIRSVEAFJ-UKRRQHHQSA-N 2 2 303.406 1.788 20 30 DDEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000775338306 697984934 /nfs/dbraw/zinc/98/49/34/697984934.db2.gz OYWSOURHHAIUMH-AWEZNQCLSA-N 2 2 316.405 1.014 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990105723 698955021 /nfs/dbraw/zinc/95/50/21/698955021.db2.gz DLBAJSLLVQENCY-HLLBOEOZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990105723 698955023 /nfs/dbraw/zinc/95/50/23/698955023.db2.gz DLBAJSLLVQENCY-HLLBOEOZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990105723 698955025 /nfs/dbraw/zinc/95/50/25/698955025.db2.gz DLBAJSLLVQENCY-HLLBOEOZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990105723 698955026 /nfs/dbraw/zinc/95/50/26/698955026.db2.gz DLBAJSLLVQENCY-HLLBOEOZSA-N 2 2 307.438 1.006 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000728982531 699461678 /nfs/dbraw/zinc/46/16/78/699461678.db2.gz FGRAEMKJIMBDCX-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000728982531 699461679 /nfs/dbraw/zinc/46/16/79/699461679.db2.gz FGRAEMKJIMBDCX-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000753952407 700470894 /nfs/dbraw/zinc/47/08/94/700470894.db2.gz HQWVZEIMKDHKFY-HUUCEWRRSA-N 2 2 312.479 1.701 20 30 DDEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000753952407 700470895 /nfs/dbraw/zinc/47/08/95/700470895.db2.gz HQWVZEIMKDHKFY-HUUCEWRRSA-N 2 2 312.479 1.701 20 30 DDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000763233738 700930531 /nfs/dbraw/zinc/93/05/31/700930531.db2.gz NRCQSSKNVBHJOZ-DAYGRLMNSA-N 2 2 317.433 1.681 20 30 DDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000763233738 700930533 /nfs/dbraw/zinc/93/05/33/700930533.db2.gz NRCQSSKNVBHJOZ-DAYGRLMNSA-N 2 2 317.433 1.681 20 30 DDEDLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1C#N ZINC000817915224 702519375 /nfs/dbraw/zinc/51/93/75/702519375.db2.gz JDTBRNXYRKVPLW-SJORKVTESA-N 2 2 301.390 1.423 20 30 DDEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115029 704199879 /nfs/dbraw/zinc/19/98/79/704199879.db2.gz CTEZZXFNTAWZGZ-MOPGFXCFSA-N 2 2 316.445 1.497 20 30 DDEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115029 704199880 /nfs/dbraw/zinc/19/98/80/704199880.db2.gz CTEZZXFNTAWZGZ-MOPGFXCFSA-N 2 2 316.445 1.497 20 30 DDEDLP C=C(Br)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853504413 704252505 /nfs/dbraw/zinc/25/25/05/704252505.db2.gz QYJNZGZQBONINE-UHFFFAOYSA-N 2 2 321.263 1.078 20 30 DDEDLP C=C(Br)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853504413 704252508 /nfs/dbraw/zinc/25/25/08/704252508.db2.gz QYJNZGZQBONINE-UHFFFAOYSA-N 2 2 321.263 1.078 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356378 704524277 /nfs/dbraw/zinc/52/42/77/704524277.db2.gz ZCKPRJSHIJOTQQ-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000856356378 704524278 /nfs/dbraw/zinc/52/42/78/704524278.db2.gz ZCKPRJSHIJOTQQ-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000856356378 704524279 /nfs/dbraw/zinc/52/42/79/704524279.db2.gz ZCKPRJSHIJOTQQ-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000856356378 704524280 /nfs/dbraw/zinc/52/42/80/704524280.db2.gz ZCKPRJSHIJOTQQ-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#C[C@H]1CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000876440484 705721312 /nfs/dbraw/zinc/72/13/12/705721312.db2.gz DCFQUPRHPDVCCN-WKILWMFISA-N 2 2 308.470 1.361 20 30 DDEDLP C#C[C@H]1CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000876440484 705721314 /nfs/dbraw/zinc/72/13/14/705721314.db2.gz DCFQUPRHPDVCCN-WKILWMFISA-N 2 2 308.470 1.361 20 30 DDEDLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)Cn1cc[nH+]c1 ZINC000876731090 705844657 /nfs/dbraw/zinc/84/46/57/705844657.db2.gz NLMYKWNRFCXZDE-SUMWQHHRSA-N 2 2 323.400 1.394 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000863553257 705955845 /nfs/dbraw/zinc/95/58/45/705955845.db2.gz YAGWDPXVIDWZPU-IAGOWNOFSA-N 2 2 317.433 1.914 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026297 709194039 /nfs/dbraw/zinc/19/40/39/709194039.db2.gz VCJFARZTLYIXEJ-GOEBONIOSA-N 2 2 317.437 1.224 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026297 709194041 /nfs/dbraw/zinc/19/40/41/709194041.db2.gz VCJFARZTLYIXEJ-GOEBONIOSA-N 2 2 317.437 1.224 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000923292254 714299107 /nfs/dbraw/zinc/29/91/07/714299107.db2.gz IRAQKHIMEQVJGT-JKSUJKDBSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000923292254 714299109 /nfs/dbraw/zinc/29/91/09/714299109.db2.gz IRAQKHIMEQVJGT-JKSUJKDBSA-N 2 2 320.433 1.587 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]1C ZINC000923424338 714351195 /nfs/dbraw/zinc/35/11/95/714351195.db2.gz QZDKPSOADFKWEK-SRABZTEZSA-N 2 2 317.433 1.746 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]1C ZINC000923424338 714351199 /nfs/dbraw/zinc/35/11/99/714351199.db2.gz QZDKPSOADFKWEK-SRABZTEZSA-N 2 2 317.433 1.746 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000923554914 714399799 /nfs/dbraw/zinc/39/97/99/714399799.db2.gz SCXKMXVVRMQKFL-CABCVRRESA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000923554914 714399802 /nfs/dbraw/zinc/39/98/02/714399802.db2.gz SCXKMXVVRMQKFL-CABCVRRESA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000923570455 714410179 /nfs/dbraw/zinc/41/01/79/714410179.db2.gz VNPOTRVJEBRQES-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000923570455 714410182 /nfs/dbraw/zinc/41/01/82/714410182.db2.gz VNPOTRVJEBRQES-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 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30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007685304 752272980 /nfs/dbraw/zinc/27/29/80/752272980.db2.gz FUQOHNSPDITFMF-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321555 748477727 /nfs/dbraw/zinc/47/77/27/748477727.db2.gz PFNDZPPKDLJNCO-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206205 748919214 /nfs/dbraw/zinc/91/92/14/748919214.db2.gz GWSPVEBLPDLBHJ-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206205 748919218 /nfs/dbraw/zinc/91/92/18/748919218.db2.gz GWSPVEBLPDLBHJ-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212688 748947594 /nfs/dbraw/zinc/94/75/94/748947594.db2.gz VBNDUADGASPSGB-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212688 748947598 /nfs/dbraw/zinc/94/75/98/748947598.db2.gz VBNDUADGASPSGB-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980522 749314292 /nfs/dbraw/zinc/31/42/92/749314292.db2.gz PAAUPDOCEGNVRW-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980522 749314293 /nfs/dbraw/zinc/31/42/93/749314293.db2.gz PAAUPDOCEGNVRW-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895390 749650280 /nfs/dbraw/zinc/65/02/80/749650280.db2.gz DGVAAJJELQGAEC-HWMZRRJGSA-N 2 2 312.417 1.063 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895390 749650283 /nfs/dbraw/zinc/65/02/83/749650283.db2.gz DGVAAJJELQGAEC-HWMZRRJGSA-N 2 2 312.417 1.063 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996740291 750009477 /nfs/dbraw/zinc/00/94/77/750009477.db2.gz UOUUSRZKOSZXTN-CYBMUJFWSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001095644868 750106215 /nfs/dbraw/zinc/10/62/15/750106215.db2.gz PTNVTXZEEWRWAT-KBXIAJHMSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001095644868 750106218 /nfs/dbraw/zinc/10/62/18/750106218.db2.gz PTNVTXZEEWRWAT-KBXIAJHMSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948497 750169992 /nfs/dbraw/zinc/16/99/92/750169992.db2.gz ACOVDMLZWQQSBY-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948497 750169995 /nfs/dbraw/zinc/16/99/95/750169995.db2.gz ACOVDMLZWQQSBY-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297991 750757410 /nfs/dbraw/zinc/75/74/10/750757410.db2.gz NCVMADLGHYEISH-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946020 750796174 /nfs/dbraw/zinc/79/61/74/750796174.db2.gz OTQMKNLLNUJBML-SFHVURJKSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001107946020 750796177 /nfs/dbraw/zinc/79/61/77/750796177.db2.gz OTQMKNLLNUJBML-SFHVURJKSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001108155355 750854526 /nfs/dbraw/zinc/85/45/26/750854526.db2.gz PQZMNQVXXOGHGO-WMZOPIPTSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001108155355 750854536 /nfs/dbraw/zinc/85/45/36/750854536.db2.gz PQZMNQVXXOGHGO-WMZOPIPTSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001108155355 750854544 /nfs/dbraw/zinc/85/45/44/750854544.db2.gz PQZMNQVXXOGHGO-WMZOPIPTSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001108155355 750854554 /nfs/dbraw/zinc/85/45/54/750854554.db2.gz PQZMNQVXXOGHGO-WMZOPIPTSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001032486206 751007765 /nfs/dbraw/zinc/00/77/65/751007765.db2.gz LBKMXRWJRMMRSL-ILXRZTDVSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001032486206 751007769 /nfs/dbraw/zinc/00/77/69/751007769.db2.gz LBKMXRWJRMMRSL-ILXRZTDVSA-N 2 2 300.406 1.307 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538667 751222514 /nfs/dbraw/zinc/22/25/14/751222514.db2.gz VJXBAWDTLFUNHF-ULQDDVLXSA-N 2 2 301.434 1.169 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538667 751222520 /nfs/dbraw/zinc/22/25/20/751222520.db2.gz VJXBAWDTLFUNHF-ULQDDVLXSA-N 2 2 301.434 1.169 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421049 762109248 /nfs/dbraw/zinc/10/92/48/762109248.db2.gz GIGQKDPWOBPYKS-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421049 762109251 /nfs/dbraw/zinc/10/92/51/762109251.db2.gz GIGQKDPWOBPYKS-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421049 762109257 /nfs/dbraw/zinc/10/92/57/762109257.db2.gz GIGQKDPWOBPYKS-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421049 762109263 /nfs/dbraw/zinc/10/92/63/762109263.db2.gz GIGQKDPWOBPYKS-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108420973 762128834 /nfs/dbraw/zinc/12/88/34/762128834.db2.gz DRAQRZLZQVLBPK-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108420973 762128837 /nfs/dbraw/zinc/12/88/37/762128837.db2.gz DRAQRZLZQVLBPK-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108420973 762128840 /nfs/dbraw/zinc/12/88/40/762128840.db2.gz DRAQRZLZQVLBPK-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108420973 762128842 /nfs/dbraw/zinc/12/88/42/762128842.db2.gz DRAQRZLZQVLBPK-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001107994003 753352078 /nfs/dbraw/zinc/35/20/78/753352078.db2.gz HJPPLOJSUITUCL-SJLPKXTDSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001107994003 753352085 /nfs/dbraw/zinc/35/20/85/753352085.db2.gz HJPPLOJSUITUCL-SJLPKXTDSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001107994003 753352091 /nfs/dbraw/zinc/35/20/91/753352091.db2.gz HJPPLOJSUITUCL-SJLPKXTDSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001107994003 753352096 /nfs/dbraw/zinc/35/20/96/753352096.db2.gz HJPPLOJSUITUCL-SJLPKXTDSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000862954 762277356 /nfs/dbraw/zinc/27/73/56/762277356.db2.gz RJJWRMXUKDNOTI-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000862954 762277364 /nfs/dbraw/zinc/27/73/64/762277364.db2.gz RJJWRMXUKDNOTI-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C#CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014508219 755767741 /nfs/dbraw/zinc/76/77/41/755767741.db2.gz NEFFCZIXPWCSQK-CZUORRHYSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014508219 755767743 /nfs/dbraw/zinc/76/77/43/755767743.db2.gz NEFFCZIXPWCSQK-CZUORRHYSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014508219 755767746 /nfs/dbraw/zinc/76/77/46/755767746.db2.gz NEFFCZIXPWCSQK-CZUORRHYSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014508219 755767748 /nfs/dbraw/zinc/76/77/48/755767748.db2.gz NEFFCZIXPWCSQK-CZUORRHYSA-N 2 2 315.421 1.004 20 30 DDEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002476 756712987 /nfs/dbraw/zinc/71/29/87/756712987.db2.gz ULXDBZPGIWIBDB-QGZVFWFLSA-N 2 2 324.428 1.345 20 30 DDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002476 756712989 /nfs/dbraw/zinc/71/29/89/756712989.db2.gz ULXDBZPGIWIBDB-QGZVFWFLSA-N 2 2 324.428 1.345 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601341 756865090 /nfs/dbraw/zinc/86/50/90/756865090.db2.gz WQVVLNDCNNRCCM-OSAQELSMSA-N 2 2 322.840 1.635 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082946934 756975324 /nfs/dbraw/zinc/97/53/24/756975324.db2.gz XGEQYKMDMDQBOA-OIISXLGYSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001017690345 758155399 /nfs/dbraw/zinc/15/53/99/758155399.db2.gz DHIUPOBXJHULFQ-OKILXGFUSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001017690345 758155406 /nfs/dbraw/zinc/15/54/06/758155406.db2.gz DHIUPOBXJHULFQ-OKILXGFUSA-N 2 2 318.421 1.601 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790380 758242658 /nfs/dbraw/zinc/24/26/58/758242658.db2.gz FWUGPCDHOSJAAE-IYBDPMFKSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790380 758242665 /nfs/dbraw/zinc/24/26/65/758242665.db2.gz FWUGPCDHOSJAAE-IYBDPMFKSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052621 758508032 /nfs/dbraw/zinc/50/80/32/758508032.db2.gz QJSPLJIBHDQLNV-ZJPYXAASSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052621 758508036 /nfs/dbraw/zinc/50/80/36/758508036.db2.gz QJSPLJIBHDQLNV-ZJPYXAASSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052621 758508041 /nfs/dbraw/zinc/50/80/41/758508041.db2.gz QJSPLJIBHDQLNV-ZJPYXAASSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052621 758508046 /nfs/dbraw/zinc/50/80/46/758508046.db2.gz QJSPLJIBHDQLNV-ZJPYXAASSA-N 2 2 315.461 1.702 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)O2 ZINC001053658029 758671994 /nfs/dbraw/zinc/67/19/94/758671994.db2.gz PDKBOMLOHXUDBK-INIZCTEOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964209 758998835 /nfs/dbraw/zinc/99/88/35/758998835.db2.gz CFLCRVAAYNTFHZ-MRXNPFEDSA-N 2 2 321.465 1.254 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143006 759219310 /nfs/dbraw/zinc/21/93/10/759219310.db2.gz LYKDZRYPWXWHRX-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143006 759219315 /nfs/dbraw/zinc/21/93/15/759219315.db2.gz LYKDZRYPWXWHRX-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143006 759219319 /nfs/dbraw/zinc/21/93/19/759219319.db2.gz LYKDZRYPWXWHRX-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143006 759219326 /nfs/dbraw/zinc/21/93/26/759219326.db2.gz LYKDZRYPWXWHRX-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054247987 759338890 /nfs/dbraw/zinc/33/88/90/759338890.db2.gz ISYKLAQGWRUTDR-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054247987 759338901 /nfs/dbraw/zinc/33/89/01/759338901.db2.gz ISYKLAQGWRUTDR-KRWDZBQOSA-N 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C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435224 767563424 /nfs/dbraw/zinc/56/34/24/767563424.db2.gz ZIHDJAYZOOFMME-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435224 767563429 /nfs/dbraw/zinc/56/34/29/767563429.db2.gz ZIHDJAYZOOFMME-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426054 768841787 /nfs/dbraw/zinc/84/17/87/768841787.db2.gz RHDLKQDORXVECP-UONOGXRCSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426054 768841794 /nfs/dbraw/zinc/84/17/94/768841794.db2.gz RHDLKQDORXVECP-UONOGXRCSA-N 2 2 317.861 1.286 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875028 769279934 /nfs/dbraw/zinc/27/99/34/769279934.db2.gz REPIJTOIWPKREB-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875028 769279940 /nfs/dbraw/zinc/27/99/40/769279940.db2.gz REPIJTOIWPKREB-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021482 769411433 /nfs/dbraw/zinc/41/14/33/769411433.db2.gz OWMZBBQQCMVLTG-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242326 769621554 /nfs/dbraw/zinc/62/15/54/769621554.db2.gz QNEPKZVAEWYZRH-UONOGXRCSA-N 2 2 302.422 1.395 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048932758 770130327 /nfs/dbraw/zinc/13/03/27/770130327.db2.gz AQHJVNRWGTXANT-GASCZTMLSA-N 2 2 310.401 1.914 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048932758 770130333 /nfs/dbraw/zinc/13/03/33/770130333.db2.gz AQHJVNRWGTXANT-GASCZTMLSA-N 2 2 310.401 1.914 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527655 770979666 /nfs/dbraw/zinc/97/96/66/770979666.db2.gz TUNFXVFFLACADV-XOUADPBQSA-N 2 2 300.406 1.765 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527655 770979673 /nfs/dbraw/zinc/97/96/73/770979673.db2.gz TUNFXVFFLACADV-XOUADPBQSA-N 2 2 300.406 1.765 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527655 770979678 /nfs/dbraw/zinc/97/96/78/770979678.db2.gz TUNFXVFFLACADV-XOUADPBQSA-N 2 2 300.406 1.765 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527655 770979680 /nfs/dbraw/zinc/97/96/80/770979680.db2.gz TUNFXVFFLACADV-XOUADPBQSA-N 2 2 300.406 1.765 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001134393914 770999396 /nfs/dbraw/zinc/99/93/96/770999396.db2.gz SKGKRUHCPDPCHR-UHFFFAOYSA-N 2 2 316.792 1.363 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869174 771220639 /nfs/dbraw/zinc/22/06/39/771220639.db2.gz DKHVKHZGTKDYBJ-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869174 771220643 /nfs/dbraw/zinc/22/06/43/771220643.db2.gz DKHVKHZGTKDYBJ-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170895559 771896228 /nfs/dbraw/zinc/89/62/28/771896228.db2.gz QTKPSQCQUCAUIA-HNNXBMFYSA-N 2 2 316.449 1.660 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747860 774248066 /nfs/dbraw/zinc/24/80/66/774248066.db2.gz IRJPZOHXYBYVLH-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747860 774248068 /nfs/dbraw/zinc/24/80/68/774248068.db2.gz IRJPZOHXYBYVLH-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881891 775946245 /nfs/dbraw/zinc/94/62/45/775946245.db2.gz CEEMQFCCYWASKM-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881891 775946252 /nfs/dbraw/zinc/94/62/52/775946252.db2.gz CEEMQFCCYWASKM-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171597260 776361787 /nfs/dbraw/zinc/36/17/87/776361787.db2.gz WXIDFBAUJKVNRV-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171604538 776367178 /nfs/dbraw/zinc/36/71/78/776367178.db2.gz IKGVEWVETPQSEQ-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100747430 776495323 /nfs/dbraw/zinc/49/53/23/776495323.db2.gz LNOLOKAALSHFGD-WLYUNCDWSA-N 2 2 320.437 1.275 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100747430 776495328 /nfs/dbraw/zinc/49/53/28/776495328.db2.gz LNOLOKAALSHFGD-WLYUNCDWSA-N 2 2 320.437 1.275 20 30 DDEDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302899 776743755 /nfs/dbraw/zinc/74/37/55/776743755.db2.gz RYLPQKLBIWIPSS-CJNGLKHVSA-N 2 2 303.406 1.749 20 30 DDEDLP C[C@@H](CCCC#N)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001172496184 776801818 /nfs/dbraw/zinc/80/18/18/776801818.db2.gz YKTZGGQWIJBWFM-AWEZNQCLSA-N 2 2 313.409 1.811 20 30 DDEDLP C[C@@H](CCCC#N)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001172496184 776801821 /nfs/dbraw/zinc/80/18/21/776801821.db2.gz YKTZGGQWIJBWFM-AWEZNQCLSA-N 2 2 313.409 1.811 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001095039646 777019296 /nfs/dbraw/zinc/01/92/96/777019296.db2.gz XHJPJRORZBEGTQ-KKUMJFAQSA-N 2 2 302.422 1.508 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095045397 777046441 /nfs/dbraw/zinc/04/64/41/777046441.db2.gz DLDUBBTVRKKWDU-KKUMJFAQSA-N 2 2 302.422 1.806 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463334 777796426 /nfs/dbraw/zinc/79/64/26/777796426.db2.gz ZPTPIGFKBGFPAX-CQSZACIVSA-N 2 2 308.426 1.419 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177409 777913420 /nfs/dbraw/zinc/91/34/20/777913420.db2.gz WVTUNEFDRAPJPA-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177409 777913422 /nfs/dbraw/zinc/91/34/22/777913422.db2.gz WVTUNEFDRAPJPA-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119727 778433852 /nfs/dbraw/zinc/43/38/52/778433852.db2.gz PCKQPOOIBVBCQX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119727 778433855 /nfs/dbraw/zinc/43/38/55/778433855.db2.gz PCKQPOOIBVBCQX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266701443 836690810 /nfs/dbraw/zinc/69/08/10/836690810.db2.gz SFGXAMAUGSFBQF-IYBDPMFKSA-N 2 2 315.417 1.507 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267588660 838375812 /nfs/dbraw/zinc/37/58/12/838375812.db2.gz DKRFAWSGCHTYEM-ARFHVFGLSA-N 2 2 314.433 1.327 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267588660 838375821 /nfs/dbraw/zinc/37/58/21/838375821.db2.gz DKRFAWSGCHTYEM-ARFHVFGLSA-N 2 2 314.433 1.327 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001268134503 839735474 /nfs/dbraw/zinc/73/54/74/839735474.db2.gz YEEBLQIXERCUHD-CABCVRRESA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268147705 839754705 /nfs/dbraw/zinc/75/47/05/839754705.db2.gz AKDXBCGFEYWGDA-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268147705 839754714 /nfs/dbraw/zinc/75/47/14/839754714.db2.gz AKDXBCGFEYWGDA-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268888112 840949933 /nfs/dbraw/zinc/94/99/33/840949933.db2.gz NPNQONYDEBBUKS-ZIAGYGMSSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001268888112 840949939 /nfs/dbraw/zinc/94/99/39/840949939.db2.gz NPNQONYDEBBUKS-ZIAGYGMSSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001270613865 842718363 /nfs/dbraw/zinc/71/83/63/842718363.db2.gz AFROGISWZZYTGQ-MRXNPFEDSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001270613865 842718366 /nfs/dbraw/zinc/71/83/66/842718366.db2.gz AFROGISWZZYTGQ-MRXNPFEDSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001270829009 842939229 /nfs/dbraw/zinc/93/92/29/842939229.db2.gz ISLWWGIKIIWGHM-QGZVFWFLSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836982 861499773 /nfs/dbraw/zinc/49/97/73/861499773.db2.gz GHQKMDGVLSJDSL-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836982 861499779 /nfs/dbraw/zinc/49/97/79/861499779.db2.gz GHQKMDGVLSJDSL-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001154836982 861499787 /nfs/dbraw/zinc/49/97/87/861499787.db2.gz GHQKMDGVLSJDSL-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001154836982 861499793 /nfs/dbraw/zinc/49/97/93/861499793.db2.gz GHQKMDGVLSJDSL-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274978 848225298 /nfs/dbraw/zinc/22/52/98/848225298.db2.gz WQKNVHMTODOAJI-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274978 848225306 /nfs/dbraw/zinc/22/53/06/848225306.db2.gz WQKNVHMTODOAJI-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279436 848241330 /nfs/dbraw/zinc/24/13/30/848241330.db2.gz RZMXPLSJHZZDAV-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279436 848241336 /nfs/dbraw/zinc/24/13/36/848241336.db2.gz RZMXPLSJHZZDAV-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828661 861922618 /nfs/dbraw/zinc/92/26/18/861922618.db2.gz VNORORYPDSQXTG-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828661 861922630 /nfs/dbraw/zinc/92/26/30/861922630.db2.gz VNORORYPDSQXTG-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828661 861922642 /nfs/dbraw/zinc/92/26/42/861922642.db2.gz VNORORYPDSQXTG-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828661 861922660 /nfs/dbraw/zinc/92/26/60/861922660.db2.gz VNORORYPDSQXTG-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321722 861957312 /nfs/dbraw/zinc/95/73/12/861957312.db2.gz XAUJHXLJLYERPB-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321722 861957324 /nfs/dbraw/zinc/95/73/24/861957324.db2.gz XAUJHXLJLYERPB-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C#CCCC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273542494 851078655 /nfs/dbraw/zinc/07/86/55/851078655.db2.gz WPCYPJQOLBUGAE-UHFFFAOYSA-N 2 2 314.433 1.611 20 30 DDEDLP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001273548528 851083635 /nfs/dbraw/zinc/08/36/35/851083635.db2.gz WGKXGILRXOKMKO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001273548528 851083643 /nfs/dbraw/zinc/08/36/43/851083643.db2.gz WGKXGILRXOKMKO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001273548528 851083652 /nfs/dbraw/zinc/08/36/52/851083652.db2.gz WGKXGILRXOKMKO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001273548528 851083662 /nfs/dbraw/zinc/08/36/62/851083662.db2.gz WGKXGILRXOKMKO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001273885582 851458338 /nfs/dbraw/zinc/45/83/38/851458338.db2.gz POAZDVJFVYJPMY-QGZVFWFLSA-N 2 2 320.437 1.056 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508178 862285362 /nfs/dbraw/zinc/28/53/62/862285362.db2.gz OXOARPWYUCRWLC-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508178 862285372 /nfs/dbraw/zinc/28/53/72/862285372.db2.gz OXOARPWYUCRWLC-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP N#CCC[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274032575 851873216 /nfs/dbraw/zinc/87/32/16/851873216.db2.gz SJLHYNGZVFOLPZ-KRWDZBQOSA-N 2 2 315.421 1.501 20 30 DDEDLP N#CCC[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274032575 851873223 /nfs/dbraw/zinc/87/32/23/851873223.db2.gz SJLHYNGZVFOLPZ-KRWDZBQOSA-N 2 2 315.421 1.501 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048591 851889997 /nfs/dbraw/zinc/88/99/97/851889997.db2.gz MVTUPHHGYKLPOG-SQRWCISFSA-N 2 2 317.437 1.628 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048591 851890004 /nfs/dbraw/zinc/89/00/04/851890004.db2.gz MVTUPHHGYKLPOG-SQRWCISFSA-N 2 2 317.437 1.628 20 30 DDEDLP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001276254597 855060896 /nfs/dbraw/zinc/06/08/96/855060896.db2.gz DVYUJSPQKZRPRZ-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290813 858739994 /nfs/dbraw/zinc/73/99/94/858739994.db2.gz SCTHGNMWGAPHOL-UHFFFAOYSA-N 2 2 302.422 1.866 20 30 DDEDLP C=CC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139408870 860390266 /nfs/dbraw/zinc/39/02/66/860390266.db2.gz FRUQWDVBJFPSSU-UHFFFAOYSA-N 2 2 314.477 1.742 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014067 860595142 /nfs/dbraw/zinc/59/51/42/860595142.db2.gz NOACHKJYZQFTDE-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014067 860595150 /nfs/dbraw/zinc/59/51/50/860595150.db2.gz NOACHKJYZQFTDE-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001154477736 861132943 /nfs/dbraw/zinc/13/29/43/861132943.db2.gz WUDJYVGQXBWUKV-NVXWUHKLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001154477736 861132952 /nfs/dbraw/zinc/13/29/52/861132952.db2.gz WUDJYVGQXBWUKV-NVXWUHKLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001154477736 861132963 /nfs/dbraw/zinc/13/29/63/861132963.db2.gz WUDJYVGQXBWUKV-NVXWUHKLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001154477736 861132973 /nfs/dbraw/zinc/13/29/73/861132973.db2.gz WUDJYVGQXBWUKV-NVXWUHKLSA-N 2 2 323.481 1.500 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(-c3ccncc3)ccc2C#N)CC1 ZINC001157916367 864262409 /nfs/dbraw/zinc/26/24/09/864262409.db2.gz VNJPWMCWGRJTGU-UHFFFAOYSA-N 2 2 321.388 1.609 20 30 DDEDLP Cc1nc(Cl)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158263070 864527133 /nfs/dbraw/zinc/52/71/33/864527133.db2.gz XXCQPGBOCUOASR-NSHDSACASA-N 2 2 320.828 1.312 20 30 DDEDLP Cc1nc(Cl)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158263070 864527140 /nfs/dbraw/zinc/52/71/40/864527140.db2.gz XXCQPGBOCUOASR-NSHDSACASA-N 2 2 320.828 1.312 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(CC)[nH+]c(C)n1 ZINC001159925557 865600435 /nfs/dbraw/zinc/60/04/35/865600435.db2.gz MLMHHGIJLRUREV-AWEZNQCLSA-N 2 2 306.410 1.986 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001319922835 866385688 /nfs/dbraw/zinc/38/56/88/866385688.db2.gz SJUWITLQCKBLBS-GJZGRUSLSA-N 2 2 304.438 1.752 20 30 DDEDLP O=C(N1CCC(C#Cc2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161150429 866410610 /nfs/dbraw/zinc/41/06/10/866410610.db2.gz IKLXZSICYOQMMM-AZUAARDMSA-N 2 2 323.440 1.228 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001323307469 866516336 /nfs/dbraw/zinc/51/63/36/866516336.db2.gz BITVNJCXYVODOB-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001323307469 866516356 /nfs/dbraw/zinc/51/63/56/866516356.db2.gz BITVNJCXYVODOB-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309472 866518282 /nfs/dbraw/zinc/51/82/82/866518282.db2.gz OKGOVJPBSGOPDW-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309472 866518295 /nfs/dbraw/zinc/51/82/95/866518295.db2.gz OKGOVJPBSGOPDW-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323309472 866518301 /nfs/dbraw/zinc/51/83/01/866518301.db2.gz OKGOVJPBSGOPDW-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323309472 866518315 /nfs/dbraw/zinc/51/83/15/866518315.db2.gz OKGOVJPBSGOPDW-WMLDXEAASA-N 2 2 309.429 1.413 20 30 DDEDLP C=CCOCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161560188 866771302 /nfs/dbraw/zinc/77/13/02/866771302.db2.gz VYJKFLFKKFQFFW-UHFFFAOYSA-N 2 2 318.421 1.293 20 30 DDEDLP C=CCOCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161560188 866771320 /nfs/dbraw/zinc/77/13/20/866771320.db2.gz VYJKFLFKKFQFFW-UHFFFAOYSA-N 2 2 318.421 1.293 20 30 DDEDLP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001322581494 868263320 /nfs/dbraw/zinc/26/33/20/868263320.db2.gz PNALFXMEPDIINX-ZDUSSCGKSA-N 2 2 310.829 1.636 20 30 DDEDLP C[NH+](C)C1(CNc2cnc3ccc(C#N)cc3n2)CC[NH+](C)CC1 ZINC001164211475 869018756 /nfs/dbraw/zinc/01/87/56/869018756.db2.gz OVOSPCJQDIYWDG-UHFFFAOYSA-N 2 2 324.432 1.939 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139081 870342938 /nfs/dbraw/zinc/34/29/38/870342938.db2.gz LULDCFRRCJROQA-SJORKVTESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139081 870342953 /nfs/dbraw/zinc/34/29/53/870342953.db2.gz LULDCFRRCJROQA-SJORKVTESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501336 870931491 /nfs/dbraw/zinc/93/14/91/870931491.db2.gz BTOPIADMAOTNAN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501336 870931504 /nfs/dbraw/zinc/93/15/04/870931504.db2.gz BTOPIADMAOTNAN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001317654903 871327173 /nfs/dbraw/zinc/32/71/73/871327173.db2.gz LOCMBUVBCCODQJ-UHFFFAOYSA-N 2 2 311.389 1.082 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205536875 871617580 /nfs/dbraw/zinc/61/75/80/871617580.db2.gz FQAXELFXMFVABW-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553041 871625068 /nfs/dbraw/zinc/62/50/68/871625068.db2.gz ORYRPXCHDCHJNA-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001318959542 872367385 /nfs/dbraw/zinc/36/73/85/872367385.db2.gz RJOLXPTWMRLOPG-WKILWMFISA-N 2 2 316.449 1.967 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048675 873788507 /nfs/dbraw/zinc/78/85/07/873788507.db2.gz JLUZARWUXMNLRS-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407734 874118049 /nfs/dbraw/zinc/11/80/49/874118049.db2.gz IKBOGIOZKORDLA-OAHLLOKOSA-N 2 2 301.390 1.237 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293703 875746694 /nfs/dbraw/zinc/74/66/94/875746694.db2.gz NRKZGGHWVMMLEE-DLBZAZTESA-N 2 2 316.449 1.841 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216184986 876885080 /nfs/dbraw/zinc/88/50/80/876885080.db2.gz HTRFFFWULOAFMO-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP N#C[C@H]1C[NH2+]C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218205558 877418057 /nfs/dbraw/zinc/41/80/57/877418057.db2.gz YKRLWVZZEXLMLG-WMLDXEAASA-N 3 2 300.406 1.100 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095505 879493258 /nfs/dbraw/zinc/49/32/58/879493258.db2.gz GFUNMYQRZHYACK-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095505 879493266 /nfs/dbraw/zinc/49/32/66/879493266.db2.gz GFUNMYQRZHYACK-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222094196 880240180 /nfs/dbraw/zinc/24/01/80/880240180.db2.gz ZXFHDLPNXROZDV-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222094196 880240189 /nfs/dbraw/zinc/24/01/89/880240189.db2.gz ZXFHDLPNXROZDV-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223577880 881009979 /nfs/dbraw/zinc/00/99/79/881009979.db2.gz JXESYYUZAHXXDU-UHFFFAOYSA-N 2 2 302.422 1.388 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229610767 884074516 /nfs/dbraw/zinc/07/45/16/884074516.db2.gz VXDCLWQEKFMSJJ-UHFFFAOYSA-N 2 2 315.845 1.042 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001233083504 886779370 /nfs/dbraw/zinc/77/93/70/886779370.db2.gz NUXHESBYCTUESD-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001233083504 886779374 /nfs/dbraw/zinc/77/93/74/886779374.db2.gz NUXHESBYCTUESD-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246010645 892325849 /nfs/dbraw/zinc/32/58/49/892325849.db2.gz YCNJREFNWJFDLE-GJZGRUSLSA-N 2 2 300.443 1.744 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001366311226 893121480 /nfs/dbraw/zinc/12/14/80/893121480.db2.gz HEEPOKJRTZPCHW-LBPRGKRZSA-N 2 2 317.418 1.501 20 30 DDEDLP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001253575355 895898942 /nfs/dbraw/zinc/89/89/42/895898942.db2.gz ABNDVBHUFKQZDL-MRXNPFEDSA-N 2 2 310.438 1.273 20 30 DDEDLP CC#CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC ZINC001279043880 897945880 /nfs/dbraw/zinc/94/58/80/897945880.db2.gz BKUZUBBVCVLHSS-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP CC#CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC ZINC001279043880 897945891 /nfs/dbraw/zinc/94/58/91/897945891.db2.gz BKUZUBBVCVLHSS-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001265092620 901544056 /nfs/dbraw/zinc/54/40/56/901544056.db2.gz TYRUOMIICPWDBF-GOEBONIOSA-N 2 2 302.422 1.643 20 30 DDEDLP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265359631 901921722 /nfs/dbraw/zinc/92/17/22/901921722.db2.gz ALEZJKYCKTYKCN-NVXWUHKLSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001392786596 905257105 /nfs/dbraw/zinc/25/71/05/905257105.db2.gz UKCNPRLPZAUQTQ-HIFRSBDPSA-N 2 2 322.840 1.682 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001392956494 905796768 /nfs/dbraw/zinc/79/67/68/905796768.db2.gz FZADQYOLNOHMBP-UHFFFAOYSA-N 2 2 323.400 1.502 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001283928230 908196130 /nfs/dbraw/zinc/19/61/30/908196130.db2.gz RGNBMYZDSZFDFU-ZIAGYGMSSA-N 2 2 306.410 1.042 20 30 DDEDLP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001377994802 923632450 /nfs/dbraw/zinc/63/24/50/923632450.db2.gz GTAMPZBSMGDOLT-HNNXBMFYSA-N 2 2 320.462 1.508 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857815 191239008 /nfs/dbraw/zinc/23/90/08/191239008.db2.gz SQEYUUNNNCBTBL-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857815 191239010 /nfs/dbraw/zinc/23/90/10/191239010.db2.gz SQEYUUNNNCBTBL-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857815 191239013 /nfs/dbraw/zinc/23/90/13/191239013.db2.gz SQEYUUNNNCBTBL-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857815 191239015 /nfs/dbraw/zinc/23/90/15/191239015.db2.gz SQEYUUNNNCBTBL-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000564988709 304033838 /nfs/dbraw/zinc/03/38/38/304033838.db2.gz CDJGLPFWGQQCHD-ZDUSSCGKSA-N 2 2 307.361 1.704 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000564988709 304033839 /nfs/dbraw/zinc/03/38/39/304033839.db2.gz CDJGLPFWGQQCHD-ZDUSSCGKSA-N 2 2 307.361 1.704 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000089926556 353782745 /nfs/dbraw/zinc/78/27/45/353782745.db2.gz QPWHGJFAIUARGW-INIZCTEOSA-N 2 2 311.389 1.147 20 30 DDEDLP C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593903535 356050191 /nfs/dbraw/zinc/05/01/91/356050191.db2.gz FLWXRJJGCIPPBU-OAHLLOKOSA-N 2 2 320.393 1.388 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507790 356524303 /nfs/dbraw/zinc/52/43/03/356524303.db2.gz QUIXMDSSYBNRSP-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507790 356524304 /nfs/dbraw/zinc/52/43/04/356524304.db2.gz QUIXMDSSYBNRSP-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507790 356524308 /nfs/dbraw/zinc/52/43/08/356524308.db2.gz QUIXMDSSYBNRSP-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507790 356524311 /nfs/dbraw/zinc/52/43/11/356524311.db2.gz QUIXMDSSYBNRSP-NXHRZFHOSA-N 2 2 320.481 1.847 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccccc1C#N ZINC000599338530 357899949 /nfs/dbraw/zinc/89/99/49/357899949.db2.gz UTEUAOMFKFHIBF-INIZCTEOSA-N 2 2 314.389 1.517 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccccc1C#N ZINC000599338530 357899951 /nfs/dbraw/zinc/89/99/51/357899951.db2.gz UTEUAOMFKFHIBF-INIZCTEOSA-N 2 2 314.389 1.517 20 30 DDEDLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)c1 ZINC000602863543 359248643 /nfs/dbraw/zinc/24/86/43/359248643.db2.gz NZVKAYFCWQSQPD-INIZCTEOSA-N 2 2 314.433 1.531 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043179 204361991 /nfs/dbraw/zinc/36/19/91/204361991.db2.gz NTMYGTTUOAVRJC-WBVHZDCISA-N 2 2 312.417 1.547 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043179 204361993 /nfs/dbraw/zinc/36/19/93/204361993.db2.gz NTMYGTTUOAVRJC-WBVHZDCISA-N 2 2 312.417 1.547 20 30 DDEDLP Cc1oc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000124304666 407354086 /nfs/dbraw/zinc/35/40/86/407354086.db2.gz ILXHFAGNZSXLDV-UHFFFAOYSA-N 2 2 315.377 1.925 20 30 DDEDLP Cc1oc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000124304666 407354087 /nfs/dbraw/zinc/35/40/87/407354087.db2.gz ILXHFAGNZSXLDV-UHFFFAOYSA-N 2 2 315.377 1.925 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641408 407590052 /nfs/dbraw/zinc/59/00/52/407590052.db2.gz UHDVVRDOOUMWHU-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641408 407590056 /nfs/dbraw/zinc/59/00/56/407590056.db2.gz UHDVVRDOOUMWHU-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266641408 407590060 /nfs/dbraw/zinc/59/00/60/407590060.db2.gz UHDVVRDOOUMWHU-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266641408 407590063 /nfs/dbraw/zinc/59/00/63/407590063.db2.gz UHDVVRDOOUMWHU-SJLPKXTDSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000268690885 408157992 /nfs/dbraw/zinc/15/79/92/408157992.db2.gz HDHFRLATCBPFQP-GOSISDBHSA-N 2 2 312.461 1.939 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000268690885 408157996 /nfs/dbraw/zinc/15/79/96/408157996.db2.gz HDHFRLATCBPFQP-GOSISDBHSA-N 2 2 312.461 1.939 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157274840 408297625 /nfs/dbraw/zinc/29/76/25/408297625.db2.gz IHLROCAPDOSTOL-MRXNPFEDSA-N 2 2 306.454 1.699 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157274840 408297630 /nfs/dbraw/zinc/29/76/30/408297630.db2.gz IHLROCAPDOSTOL-MRXNPFEDSA-N 2 2 306.454 1.699 20 30 DDEDLP N#CCSCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159412989 408404006 /nfs/dbraw/zinc/40/40/06/408404006.db2.gz FAHCIEFJACNPBR-CQSZACIVSA-N 2 2 310.467 1.047 20 30 DDEDLP N#CCSCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159412989 408404013 /nfs/dbraw/zinc/40/40/13/408404013.db2.gz FAHCIEFJACNPBR-CQSZACIVSA-N 2 2 310.467 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000264454178 408497309 /nfs/dbraw/zinc/49/73/09/408497309.db2.gz ZDAWUMWWQFUCNU-UHFFFAOYSA-N 2 2 317.437 1.597 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328618232 409938153 /nfs/dbraw/zinc/93/81/53/409938153.db2.gz UXPYSTOIOSPJBS-LSDHHAIUSA-N 2 2 319.453 1.948 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328618232 409938159 /nfs/dbraw/zinc/93/81/59/409938159.db2.gz UXPYSTOIOSPJBS-LSDHHAIUSA-N 2 2 319.453 1.948 20 30 DDEDLP CN(C)[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)c1c[nH+]cn1C ZINC000329173222 410144300 /nfs/dbraw/zinc/14/43/00/410144300.db2.gz LJSIRWLTEIGDRH-HNNXBMFYSA-N 2 2 305.426 1.606 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329411125 410285864 /nfs/dbraw/zinc/28/58/64/410285864.db2.gz BRMXIZJWAKRHOO-UONOGXRCSA-N 2 2 306.410 1.513 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329411125 410285874 /nfs/dbraw/zinc/28/58/74/410285874.db2.gz BRMXIZJWAKRHOO-UONOGXRCSA-N 2 2 306.410 1.513 20 30 DDEDLP COCC[NH+](CCOC)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000353028260 410744191 /nfs/dbraw/zinc/74/41/91/410744191.db2.gz ZBIYMQDRXYBPSS-UHFFFAOYSA-N 2 2 311.470 1.985 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000261885171 222261254 /nfs/dbraw/zinc/26/12/54/222261254.db2.gz RSEPSIASQVVHHL-OCCSQVGLSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000261885171 222261258 /nfs/dbraw/zinc/26/12/58/222261258.db2.gz RSEPSIASQVVHHL-OCCSQVGLSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@@H]1C[NH+]=C(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)N1 ZINC000262666160 222288762 /nfs/dbraw/zinc/28/87/62/222288762.db2.gz OTYGNPGAAIRPBH-CYBMUJFWSA-N 2 2 321.856 1.399 20 30 DDEDLP C[C@@H]1C[NH+]=C(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)N1 ZINC000262680376 222289732 /nfs/dbraw/zinc/28/97/32/222289732.db2.gz VVOFPRYEYJFAQH-UKRRQHHQSA-N 2 2 304.463 1.541 20 30 DDEDLP C[C@@H]1C[NH+]=C(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)N1 ZINC000262680376 222289735 /nfs/dbraw/zinc/28/97/35/222289735.db2.gz VVOFPRYEYJFAQH-UKRRQHHQSA-N 2 2 304.463 1.541 20 30 DDEDLP CCc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)no1 ZINC000267043012 222367683 /nfs/dbraw/zinc/36/76/83/222367683.db2.gz ZZIBXNHOMGMJGM-UHFFFAOYSA-N 2 2 303.366 1.531 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377350231 418709223 /nfs/dbraw/zinc/70/92/23/418709223.db2.gz JZQQPQVYWBTWIC-CQSZACIVSA-N 2 2 317.437 1.607 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377350231 418709225 /nfs/dbraw/zinc/70/92/25/418709225.db2.gz JZQQPQVYWBTWIC-CQSZACIVSA-N 2 2 317.437 1.607 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000369272899 418731304 /nfs/dbraw/zinc/73/13/04/418731304.db2.gz DFUIANUSFQJIMX-INIZCTEOSA-N 2 2 312.417 1.457 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000369272899 418731306 /nfs/dbraw/zinc/73/13/06/418731306.db2.gz DFUIANUSFQJIMX-INIZCTEOSA-N 2 2 312.417 1.457 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000372821779 418905403 /nfs/dbraw/zinc/90/54/03/418905403.db2.gz JUZWXGHAXBLQMC-INIZCTEOSA-N 2 2 314.433 1.530 20 30 DDEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440819347 420610265 /nfs/dbraw/zinc/61/02/65/420610265.db2.gz LMJAFTYEXWKBSI-INIZCTEOSA-N 2 2 303.406 1.767 20 30 DDEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440819347 420610266 /nfs/dbraw/zinc/61/02/66/420610266.db2.gz LMJAFTYEXWKBSI-INIZCTEOSA-N 2 2 303.406 1.767 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)s1 ZINC000487632821 421042699 /nfs/dbraw/zinc/04/26/99/421042699.db2.gz BFDNGZILZCTUGW-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)s1 ZINC000487632821 421042702 /nfs/dbraw/zinc/04/27/02/421042702.db2.gz BFDNGZILZCTUGW-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1=O ZINC000574714026 422166572 /nfs/dbraw/zinc/16/65/72/422166572.db2.gz SGIBICSDEQSLIO-RDBSUJKOSA-N 2 2 301.394 1.193 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576489225 422374401 /nfs/dbraw/zinc/37/44/01/422374401.db2.gz AIDFPLCZBQVTPG-DZGCQCFKSA-N 2 2 314.389 1.486 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576489225 422374404 /nfs/dbraw/zinc/37/44/04/422374404.db2.gz AIDFPLCZBQVTPG-DZGCQCFKSA-N 2 2 314.389 1.486 20 30 DDEDLP C=C(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000664898547 424715431 /nfs/dbraw/zinc/71/54/31/424715431.db2.gz ACGRHTNXWTTXJV-UHFFFAOYSA-N 2 2 318.465 1.883 20 30 DDEDLP C=C(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000664898547 424715433 /nfs/dbraw/zinc/71/54/33/424715433.db2.gz ACGRHTNXWTTXJV-UHFFFAOYSA-N 2 2 318.465 1.883 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329736596 277156590 /nfs/dbraw/zinc/15/65/90/277156590.db2.gz LNFGFJSFVDWQJZ-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329736596 277156591 /nfs/dbraw/zinc/15/65/91/277156591.db2.gz LNFGFJSFVDWQJZ-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329736596 277156592 /nfs/dbraw/zinc/15/65/92/277156592.db2.gz LNFGFJSFVDWQJZ-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329736596 277156593 /nfs/dbraw/zinc/15/65/93/277156593.db2.gz LNFGFJSFVDWQJZ-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000150793568 332195555 /nfs/dbraw/zinc/19/55/55/332195555.db2.gz ZIIGNSMPHJHVTK-INIZCTEOSA-N 2 2 318.465 1.747 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000150793568 332195556 /nfs/dbraw/zinc/19/55/56/332195556.db2.gz ZIIGNSMPHJHVTK-INIZCTEOSA-N 2 2 318.465 1.747 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491689139 526818943 /nfs/dbraw/zinc/81/89/43/526818943.db2.gz GSFQYWYFSPOAOR-CQSZACIVSA-N 2 2 303.410 1.126 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491689139 526818945 /nfs/dbraw/zinc/81/89/45/526818945.db2.gz GSFQYWYFSPOAOR-CQSZACIVSA-N 2 2 303.410 1.126 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000490760199 526947555 /nfs/dbraw/zinc/94/75/55/526947555.db2.gz JZPFKJWVRRPPHI-UHFFFAOYSA-N 2 2 303.381 1.035 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC000490760199 526947559 /nfs/dbraw/zinc/94/75/59/526947559.db2.gz JZPFKJWVRRPPHI-UHFFFAOYSA-N 2 2 303.381 1.035 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000491659562 526983008 /nfs/dbraw/zinc/98/30/08/526983008.db2.gz IPGNNPXBNZPHHB-SFHVURJKSA-N 2 2 313.445 1.626 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000491659562 526983016 /nfs/dbraw/zinc/98/30/16/526983016.db2.gz IPGNNPXBNZPHHB-SFHVURJKSA-N 2 2 313.445 1.626 20 30 DDEDLP C#CCn1ccc(C[N@@H+](CCCn2cc[nH+]c2)CCOC)n1 ZINC000491703033 527186352 /nfs/dbraw/zinc/18/63/52/527186352.db2.gz HNSKDNAUMPYDBD-UHFFFAOYSA-N 2 2 301.394 1.252 20 30 DDEDLP C#CCn1ccc(C[N@H+](CCCn2cc[nH+]c2)CCOC)n1 ZINC000491703033 527186359 /nfs/dbraw/zinc/18/63/59/527186359.db2.gz HNSKDNAUMPYDBD-UHFFFAOYSA-N 2 2 301.394 1.252 20 30 DDEDLP C#C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491546721 527428865 /nfs/dbraw/zinc/42/88/65/527428865.db2.gz WZDSUSKFCSTEDN-SFHVURJKSA-N 2 2 300.402 1.353 20 30 DDEDLP C#C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491546721 527428866 /nfs/dbraw/zinc/42/88/66/527428866.db2.gz WZDSUSKFCSTEDN-SFHVURJKSA-N 2 2 300.402 1.353 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208885 696708280 /nfs/dbraw/zinc/70/82/80/696708280.db2.gz QFJIKXOKKCISHL-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208885 696708282 /nfs/dbraw/zinc/70/82/82/696708282.db2.gz QFJIKXOKKCISHL-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738871 695722557 /nfs/dbraw/zinc/72/25/57/695722557.db2.gz DPYYYFJBROOKPA-CABCVRRESA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738871 695722559 /nfs/dbraw/zinc/72/25/59/695722559.db2.gz DPYYYFJBROOKPA-CABCVRRESA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744866 695724689 /nfs/dbraw/zinc/72/46/89/695724689.db2.gz WLVHPZKKJASBNA-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744866 695724690 /nfs/dbraw/zinc/72/46/90/695724690.db2.gz WLVHPZKKJASBNA-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980184010 696703366 /nfs/dbraw/zinc/70/33/66/696703366.db2.gz QLLUAIGZCKNJQJ-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980184010 696703368 /nfs/dbraw/zinc/70/33/68/696703368.db2.gz QLLUAIGZCKNJQJ-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981847270 696941635 /nfs/dbraw/zinc/94/16/35/696941635.db2.gz XRNZXZVQVJBYAA-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000981847270 696941637 /nfs/dbraw/zinc/94/16/37/696941637.db2.gz XRNZXZVQVJBYAA-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269057 697078579 /nfs/dbraw/zinc/07/85/79/697078579.db2.gz IOPSSIPJPMZWOP-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269057 697078580 /nfs/dbraw/zinc/07/85/80/697078580.db2.gz IOPSSIPJPMZWOP-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764057 697177110 /nfs/dbraw/zinc/17/71/10/697177110.db2.gz QYHNXKZGGAZLKV-CALCHBBNSA-N 2 2 300.406 1.064 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982764057 697177112 /nfs/dbraw/zinc/17/71/12/697177112.db2.gz QYHNXKZGGAZLKV-CALCHBBNSA-N 2 2 300.406 1.064 20 30 DDEDLP CC[NH+]=C(NC[C@](C)(O)CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160024409 697314464 /nfs/dbraw/zinc/31/44/64/697314464.db2.gz UHGZNVSCVUBKJQ-ZMSDIMECSA-N 2 2 321.469 1.893 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800451 697576364 /nfs/dbraw/zinc/57/63/64/697576364.db2.gz AMKURHQVNLWQRN-KRWDZBQOSA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800451 697576365 /nfs/dbraw/zinc/57/63/65/697576365.db2.gz AMKURHQVNLWQRN-KRWDZBQOSA-N 2 2 314.433 1.240 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991469212 699331542 /nfs/dbraw/zinc/33/15/42/699331542.db2.gz DNIZSAJQQPBUGD-RVKKMQEKSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991469212 699331545 /nfs/dbraw/zinc/33/15/45/699331545.db2.gz DNIZSAJQQPBUGD-RVKKMQEKSA-N 2 2 314.433 1.745 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000900925185 709830426 /nfs/dbraw/zinc/83/04/26/709830426.db2.gz VTGXEZLFGLPJHS-UHFFFAOYSA-N 2 2 300.406 1.809 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000913522222 713244719 /nfs/dbraw/zinc/24/47/19/713244719.db2.gz ADBCWZOLNGPCKO-MRXNPFEDSA-N 2 2 310.401 1.613 20 30 DDEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]N2CCOCC2)CC1 ZINC000915939131 713435740 /nfs/dbraw/zinc/43/57/40/713435740.db2.gz IIPPLQVYTMDAQI-UHFFFAOYSA-N 2 2 322.840 1.758 20 30 DDEDLP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC000926070895 715000723 /nfs/dbraw/zinc/00/07/23/715000723.db2.gz XQNQLKCWLMPROQ-UHFFFAOYSA-N 2 2 321.812 1.756 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586471 715961072 /nfs/dbraw/zinc/96/10/72/715961072.db2.gz LDCSGTUKSRVXBW-UHFFFAOYSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963375838 717766513 /nfs/dbraw/zinc/76/65/13/717766513.db2.gz ZFCQMQBUENOELA-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963375838 717766515 /nfs/dbraw/zinc/76/65/15/717766515.db2.gz ZFCQMQBUENOELA-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617344 718854134 /nfs/dbraw/zinc/85/41/34/718854134.db2.gz CHAGCJVEGYDBCG-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617344 718854140 /nfs/dbraw/zinc/85/41/40/718854140.db2.gz CHAGCJVEGYDBCG-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617344 718854147 /nfs/dbraw/zinc/85/41/47/718854147.db2.gz CHAGCJVEGYDBCG-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617344 718854153 /nfs/dbraw/zinc/85/41/53/718854153.db2.gz CHAGCJVEGYDBCG-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800395 718913006 /nfs/dbraw/zinc/91/30/06/718913006.db2.gz BKUBKQLYSGVGDI-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800395 718913008 /nfs/dbraw/zinc/91/30/08/718913008.db2.gz BKUBKQLYSGVGDI-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315132 719115212 /nfs/dbraw/zinc/11/52/12/719115212.db2.gz NUJNICSLFJJWSQ-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315132 719115213 /nfs/dbraw/zinc/11/52/13/719115213.db2.gz NUJNICSLFJJWSQ-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554439 719662543 /nfs/dbraw/zinc/66/25/43/719662543.db2.gz VQFQNBCUYAYWKH-ZFWWWQNUSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554439 719662545 /nfs/dbraw/zinc/66/25/45/719662545.db2.gz VQFQNBCUYAYWKH-ZFWWWQNUSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949011746 719841949 /nfs/dbraw/zinc/84/19/49/719841949.db2.gz GZJNXVAHSHGTAT-UHFFFAOYSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949011746 719841958 /nfs/dbraw/zinc/84/19/58/719841958.db2.gz GZJNXVAHSHGTAT-UHFFFAOYSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005467 719921077 /nfs/dbraw/zinc/92/10/77/719921077.db2.gz UBFWEQJTRCKBJC-MRXNPFEDSA-N 2 2 317.433 1.949 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005467 719921080 /nfs/dbraw/zinc/92/10/80/719921080.db2.gz UBFWEQJTRCKBJC-MRXNPFEDSA-N 2 2 317.433 1.949 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969135900 719972254 /nfs/dbraw/zinc/97/22/54/719972254.db2.gz PQELMFWIPNXKEK-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000969135900 719972256 /nfs/dbraw/zinc/97/22/56/719972256.db2.gz PQELMFWIPNXKEK-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602042 735338406 /nfs/dbraw/zinc/33/84/06/735338406.db2.gz XZTJMHGEHPBYIR-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602042 735338409 /nfs/dbraw/zinc/33/84/09/735338409.db2.gz XZTJMHGEHPBYIR-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449593 735242332 /nfs/dbraw/zinc/24/23/32/735242332.db2.gz UIISHWIPXMCYDB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449593 735242334 /nfs/dbraw/zinc/24/23/34/735242334.db2.gz UIISHWIPXMCYDB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451944 735247153 /nfs/dbraw/zinc/24/71/53/735247153.db2.gz ORNQAUCWDNVIDU-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451944 735247157 /nfs/dbraw/zinc/24/71/57/735247157.db2.gz ORNQAUCWDNVIDU-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451944 735247161 /nfs/dbraw/zinc/24/71/61/735247161.db2.gz ORNQAUCWDNVIDU-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451944 735247165 /nfs/dbraw/zinc/24/71/65/735247165.db2.gz ORNQAUCWDNVIDU-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203159442 735727745 /nfs/dbraw/zinc/72/77/45/735727745.db2.gz HLTXPYSLNONTEJ-HOTGVXAUSA-N 2 2 322.412 1.988 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479868 735861868 /nfs/dbraw/zinc/86/18/68/735861868.db2.gz RXIMVSAWCDNXCY-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479868 735861871 /nfs/dbraw/zinc/86/18/71/735861871.db2.gz RXIMVSAWCDNXCY-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC001024486819 735863930 /nfs/dbraw/zinc/86/39/30/735863930.db2.gz IYNNVURCLZALHS-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC001024486819 735863935 /nfs/dbraw/zinc/86/39/35/735863935.db2.gz IYNNVURCLZALHS-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC001024486819 735863941 /nfs/dbraw/zinc/86/39/41/735863941.db2.gz IYNNVURCLZALHS-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC001024486819 735863944 /nfs/dbraw/zinc/86/39/44/735863944.db2.gz IYNNVURCLZALHS-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024517329 735895342 /nfs/dbraw/zinc/89/53/42/735895342.db2.gz SQKIVMPKVKBEEW-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024517329 735895344 /nfs/dbraw/zinc/89/53/44/735895344.db2.gz SQKIVMPKVKBEEW-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306834 736011628 /nfs/dbraw/zinc/01/16/28/736011628.db2.gz OYXGBRIMCHAADR-OIISXLGYSA-N 2 2 314.433 1.581 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]12 ZINC001026266026 737269945 /nfs/dbraw/zinc/26/99/45/737269945.db2.gz CDRUNBZOBCMTEO-BRWVUGGUSA-N 2 2 322.412 1.716 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027244363 738125118 /nfs/dbraw/zinc/12/51/18/738125118.db2.gz BRJGITJTWGOJNO-HNNXBMFYSA-N 2 2 323.400 1.393 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212383483 751396184 /nfs/dbraw/zinc/39/61/84/751396184.db2.gz VZQNNYAAPLDGCP-NUEKZKHPSA-N 2 2 320.437 1.512 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212383483 751396189 /nfs/dbraw/zinc/39/61/89/751396189.db2.gz VZQNNYAAPLDGCP-NUEKZKHPSA-N 2 2 320.437 1.512 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212383483 751396195 /nfs/dbraw/zinc/39/61/95/751396195.db2.gz VZQNNYAAPLDGCP-NUEKZKHPSA-N 2 2 320.437 1.512 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212383483 751396200 /nfs/dbraw/zinc/39/62/00/751396200.db2.gz VZQNNYAAPLDGCP-NUEKZKHPSA-N 2 2 320.437 1.512 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997980288 751438626 /nfs/dbraw/zinc/43/86/26/751438626.db2.gz YHMOHFZFHPFKCE-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997980288 751438628 /nfs/dbraw/zinc/43/86/28/751438628.db2.gz YHMOHFZFHPFKCE-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997980288 751438632 /nfs/dbraw/zinc/43/86/32/751438632.db2.gz YHMOHFZFHPFKCE-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997980288 751438634 /nfs/dbraw/zinc/43/86/34/751438634.db2.gz YHMOHFZFHPFKCE-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395899 751466000 /nfs/dbraw/zinc/46/60/00/751466000.db2.gz ZZSKMNVQKYIAMT-IRXDYDNUSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395899 751466002 /nfs/dbraw/zinc/46/60/02/751466002.db2.gz ZZSKMNVQKYIAMT-IRXDYDNUSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395899 751466004 /nfs/dbraw/zinc/46/60/04/751466004.db2.gz ZZSKMNVQKYIAMT-IRXDYDNUSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395899 751466006 /nfs/dbraw/zinc/46/60/06/751466006.db2.gz ZZSKMNVQKYIAMT-IRXDYDNUSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641776 739837377 /nfs/dbraw/zinc/83/73/77/739837377.db2.gz JZMPKYQRNDIOLT-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641776 739837384 /nfs/dbraw/zinc/83/73/84/739837384.db2.gz JZMPKYQRNDIOLT-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642679 739840036 /nfs/dbraw/zinc/84/00/36/739840036.db2.gz YZHLJMGMRKTQKY-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028642679 739840040 /nfs/dbraw/zinc/84/00/40/739840040.db2.gz YZHLJMGMRKTQKY-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644255 739843204 /nfs/dbraw/zinc/84/32/04/739843204.db2.gz XSRMXKSCFNBVEG-ZIAGYGMSSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644255 739843209 /nfs/dbraw/zinc/84/32/09/739843209.db2.gz XSRMXKSCFNBVEG-ZIAGYGMSSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644255 739843215 /nfs/dbraw/zinc/84/32/15/739843215.db2.gz XSRMXKSCFNBVEG-ZIAGYGMSSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644255 739843219 /nfs/dbraw/zinc/84/32/19/739843219.db2.gz XSRMXKSCFNBVEG-ZIAGYGMSSA-N 2 2 302.422 1.447 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001037865984 751517473 /nfs/dbraw/zinc/51/74/73/751517473.db2.gz CKQUCWJOUOYENZ-JKSUJKDBSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC ZINC001087607290 740674692 /nfs/dbraw/zinc/67/46/92/740674692.db2.gz WHHFYCKDKWSKLL-BBWFWOEESA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC ZINC001087607290 740674693 /nfs/dbraw/zinc/67/46/93/740674693.db2.gz WHHFYCKDKWSKLL-BBWFWOEESA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087607290 740674695 /nfs/dbraw/zinc/67/46/95/740674695.db2.gz WHHFYCKDKWSKLL-BBWFWOEESA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087607290 740674698 /nfs/dbraw/zinc/67/46/98/740674698.db2.gz WHHFYCKDKWSKLL-BBWFWOEESA-N 2 2 303.450 1.463 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001037959983 751594717 /nfs/dbraw/zinc/59/47/17/751594717.db2.gz BQXUNAONHUNFBH-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042346 740964453 /nfs/dbraw/zinc/96/44/53/740964453.db2.gz KHERXJHIPNQCMG-CABCVRRESA-N 2 2 322.840 1.724 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042346 740964455 /nfs/dbraw/zinc/96/44/55/740964455.db2.gz KHERXJHIPNQCMG-CABCVRRESA-N 2 2 322.840 1.724 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998314287 751708112 /nfs/dbraw/zinc/70/81/12/751708112.db2.gz OMGAZOOLGJQDJB-MNOVXSKESA-N 2 2 316.327 1.507 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029441 742498681 /nfs/dbraw/zinc/49/86/81/742498681.db2.gz MOEDIDAWQOIAPN-WMLDXEAASA-N 2 2 321.384 1.047 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343462 742676462 /nfs/dbraw/zinc/67/64/62/742676462.db2.gz DTVJNZLQMLJDHD-IJEWVQPXSA-N 2 2 302.422 1.697 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343462 742676465 /nfs/dbraw/zinc/67/64/65/742676465.db2.gz DTVJNZLQMLJDHD-IJEWVQPXSA-N 2 2 302.422 1.697 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343462 742676466 /nfs/dbraw/zinc/67/64/66/742676466.db2.gz DTVJNZLQMLJDHD-IJEWVQPXSA-N 2 2 302.422 1.697 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343462 742676469 /nfs/dbraw/zinc/67/64/69/742676469.db2.gz DTVJNZLQMLJDHD-IJEWVQPXSA-N 2 2 302.422 1.697 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001181897067 743382821 /nfs/dbraw/zinc/38/28/21/743382821.db2.gz WPDKAYMGXRWTJU-RDTXWAMCSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035738949 751832811 /nfs/dbraw/zinc/83/28/11/751832811.db2.gz BTKDHEAFGQDINM-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185203282 744179368 /nfs/dbraw/zinc/17/93/68/744179368.db2.gz FIZDOQRJHYXBMG-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185380052 744211452 /nfs/dbraw/zinc/21/14/52/744211452.db2.gz HOHAXRZBYXWNQX-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088864899 744268606 /nfs/dbraw/zinc/26/86/06/744268606.db2.gz LLVMAIAMTYVPIM-TUVASFSCSA-N 2 2 302.422 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088864899 744268610 /nfs/dbraw/zinc/26/86/10/744268610.db2.gz LLVMAIAMTYVPIM-TUVASFSCSA-N 2 2 302.422 1.679 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185786806 744285521 /nfs/dbraw/zinc/28/55/21/744285521.db2.gz BGKBEFUINFDYTI-OCCSQVGLSA-N 2 2 310.829 1.710 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185787273 744286159 /nfs/dbraw/zinc/28/61/59/744286159.db2.gz DMZSJYNGOJMWHO-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890871 744348138 /nfs/dbraw/zinc/34/81/38/744348138.db2.gz QKAGFVCLKUMJPF-CABCVRRESA-N 2 2 302.422 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890871 744348141 /nfs/dbraw/zinc/34/81/41/744348141.db2.gz QKAGFVCLKUMJPF-CABCVRRESA-N 2 2 302.422 1.609 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035807096 751911552 /nfs/dbraw/zinc/91/15/52/751911552.db2.gz FJOZEWNVIRWCHI-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844703 751940893 /nfs/dbraw/zinc/94/08/93/751940893.db2.gz LNVLDYGUQAMUIM-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874806 746551219 /nfs/dbraw/zinc/55/12/19/746551219.db2.gz UASUHGCRFBLXFX-ZIAGYGMSSA-N 2 2 304.438 1.948 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267487 746554165 /nfs/dbraw/zinc/55/41/65/746554165.db2.gz KFCDGSDODPKLAO-GDBMZVCRSA-N 2 2 314.433 1.754 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003192140 747034222 /nfs/dbraw/zinc/03/42/22/747034222.db2.gz FKCLKSITAPPHSN-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089507780 747134245 /nfs/dbraw/zinc/13/42/45/747134245.db2.gz RDPNNOQCSPIHEP-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089507780 747134251 /nfs/dbraw/zinc/13/42/51/747134251.db2.gz RDPNNOQCSPIHEP-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP CCc1nnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C#N)c1CC ZINC001168736867 748477029 /nfs/dbraw/zinc/47/70/29/748477029.db2.gz QSOUFIIYHLQTJW-UHFFFAOYSA-N 2 2 301.398 1.067 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881154 748667883 /nfs/dbraw/zinc/66/78/83/748667883.db2.gz QMNFVZQWVHGZEJ-JONQDZQNSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089881154 748667890 /nfs/dbraw/zinc/66/78/90/748667890.db2.gz QMNFVZQWVHGZEJ-JONQDZQNSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089881318 748668765 /nfs/dbraw/zinc/66/87/65/748668765.db2.gz QXVHJELFSGJYNB-VGWMRTNUSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089881318 748668768 /nfs/dbraw/zinc/66/87/68/748668768.db2.gz QXVHJELFSGJYNB-VGWMRTNUSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001036221073 752298918 /nfs/dbraw/zinc/29/89/18/752298918.db2.gz BHNFTEJCUUBGOV-NVXWUHKLSA-N 2 2 324.428 1.645 20 30 DDEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039269752 761901514 /nfs/dbraw/zinc/90/15/14/761901514.db2.gz NHIFPVYXRZQGKV-HMQMGEFJSA-N 2 2 321.465 1.395 20 30 DDEDLP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039269752 761901517 /nfs/dbraw/zinc/90/15/17/761901517.db2.gz NHIFPVYXRZQGKV-HMQMGEFJSA-N 2 2 321.465 1.395 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001108346419 761948802 /nfs/dbraw/zinc/94/88/02/761948802.db2.gz KBQAUHXNVBMJPZ-QGZVFWFLSA-N 2 2 318.421 1.154 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384910 749887153 /nfs/dbraw/zinc/88/71/53/749887153.db2.gz ULCRQYQCXDWFHN-CRAIPNDOSA-N 2 2 314.433 1.726 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384910 749887159 /nfs/dbraw/zinc/88/71/59/749887159.db2.gz ULCRQYQCXDWFHN-CRAIPNDOSA-N 2 2 314.433 1.726 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773423 749950057 /nfs/dbraw/zinc/95/00/57/749950057.db2.gz RBSLKZHSAYNZGV-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773423 749950058 /nfs/dbraw/zinc/95/00/58/749950058.db2.gz RBSLKZHSAYNZGV-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876564 750012693 /nfs/dbraw/zinc/01/26/93/750012693.db2.gz CAKZBYFWQFQAOI-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876564 750012698 /nfs/dbraw/zinc/01/26/98/750012698.db2.gz CAKZBYFWQFQAOI-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095606892 750075304 /nfs/dbraw/zinc/07/53/04/750075304.db2.gz HTNZQHYNSOJOTA-PMPSAXMXSA-N 2 2 314.433 1.671 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095606892 750075308 /nfs/dbraw/zinc/07/53/08/750075308.db2.gz HTNZQHYNSOJOTA-PMPSAXMXSA-N 2 2 314.433 1.671 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001095660632 750120215 /nfs/dbraw/zinc/12/02/15/750120215.db2.gz KIDYCCLLMCYMMX-ZLDLUXBVSA-N 2 2 304.394 1.257 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001095660632 750120220 /nfs/dbraw/zinc/12/02/20/750120220.db2.gz KIDYCCLLMCYMMX-ZLDLUXBVSA-N 2 2 304.394 1.257 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460274 762051186 /nfs/dbraw/zinc/05/11/86/762051186.db2.gz IUALXLAQYHRWSE-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460274 762051195 /nfs/dbraw/zinc/05/11/95/762051195.db2.gz IUALXLAQYHRWSE-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997646021 751179743 /nfs/dbraw/zinc/17/97/43/751179743.db2.gz JDWJVIVMVHPLOP-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181556 751273449 /nfs/dbraw/zinc/27/34/49/751273449.db2.gz WNHFOSWHBOLZOW-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181556 751273452 /nfs/dbraw/zinc/27/34/52/751273452.db2.gz WNHFOSWHBOLZOW-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999006349 752446499 /nfs/dbraw/zinc/44/64/99/752446499.db2.gz BEGXRUGSMIPHGM-HSBZDZAISA-N 2 2 302.422 1.588 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999006349 752446502 /nfs/dbraw/zinc/44/65/02/752446502.db2.gz BEGXRUGSMIPHGM-HSBZDZAISA-N 2 2 302.422 1.588 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008580171 752812432 /nfs/dbraw/zinc/81/24/32/752812432.db2.gz DUWRCSGRKOXCDJ-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008580171 752812439 /nfs/dbraw/zinc/81/24/39/752812439.db2.gz DUWRCSGRKOXCDJ-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999538858 752982263 /nfs/dbraw/zinc/98/22/63/752982263.db2.gz ZQNJIFMBQBXROG-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999538858 752982266 /nfs/dbraw/zinc/98/22/66/752982266.db2.gz ZQNJIFMBQBXROG-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP N#Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)ccc1F ZINC001169204467 762277106 /nfs/dbraw/zinc/27/71/06/762277106.db2.gz KYTGNRJLZTWHFS-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078657152 754255454 /nfs/dbraw/zinc/25/54/54/754255454.db2.gz PZYQERRJWVOCAL-HZPDHXFCSA-N 2 2 313.401 1.283 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080421066 755887940 /nfs/dbraw/zinc/88/79/40/755887940.db2.gz RBJXAPNMGFUVQU-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080421066 755887945 /nfs/dbraw/zinc/88/79/45/755887945.db2.gz RBJXAPNMGFUVQU-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016837741 757396151 /nfs/dbraw/zinc/39/61/51/757396151.db2.gz XAMPQUSMFKPJSN-FMKPAKJESA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053047443 758108167 /nfs/dbraw/zinc/10/81/67/758108167.db2.gz QIMBOPZHDJCQRE-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053047443 758108170 /nfs/dbraw/zinc/10/81/70/758108170.db2.gz QIMBOPZHDJCQRE-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975643 758114871 /nfs/dbraw/zinc/11/48/71/758114871.db2.gz MTJMNSNIAPQHME-INMHGKMJSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001017682196 758151895 /nfs/dbraw/zinc/15/18/95/758151895.db2.gz WJYOFJLRHCFPHI-BHYGNILZSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001017682196 758151899 /nfs/dbraw/zinc/15/18/99/758151899.db2.gz WJYOFJLRHCFPHI-BHYGNILZSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045920 758178927 /nfs/dbraw/zinc/17/89/27/758178927.db2.gz PQHKTXJMORPDGY-OAGGEKHMSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045920 758178928 /nfs/dbraw/zinc/17/89/28/758178928.db2.gz PQHKTXJMORPDGY-OAGGEKHMSA-N 2 2 300.406 1.390 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001053288214 758344770 /nfs/dbraw/zinc/34/47/70/758344770.db2.gz CYOLTNPGRUHHBQ-UHFFFAOYSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001053288214 758344783 /nfs/dbraw/zinc/34/47/83/758344783.db2.gz CYOLTNPGRUHHBQ-UHFFFAOYSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017950367 758417744 /nfs/dbraw/zinc/41/77/44/758417744.db2.gz SHFUZPCNLBDZHJ-HRCADAONSA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001017950367 758417749 /nfs/dbraw/zinc/41/77/49/758417749.db2.gz SHFUZPCNLBDZHJ-HRCADAONSA-N 2 2 314.433 1.615 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065651 758518976 /nfs/dbraw/zinc/51/89/76/758518976.db2.gz VHZILZLQYKOPKK-HDICACEKSA-N 2 2 311.429 1.670 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065651 758518985 /nfs/dbraw/zinc/51/89/85/758518985.db2.gz VHZILZLQYKOPKK-HDICACEKSA-N 2 2 311.429 1.670 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174370 758601209 /nfs/dbraw/zinc/60/12/09/758601209.db2.gz BFYSEAOKXJXGSM-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174370 758601215 /nfs/dbraw/zinc/60/12/15/758601215.db2.gz BFYSEAOKXJXGSM-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176971 758603502 /nfs/dbraw/zinc/60/35/02/758603502.db2.gz VQWYHFCRMJWGSH-XDNAFOTISA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176971 758603508 /nfs/dbraw/zinc/60/35/08/758603508.db2.gz VQWYHFCRMJWGSH-XDNAFOTISA-N 2 2 317.477 1.805 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001053807113 758836108 /nfs/dbraw/zinc/83/61/08/758836108.db2.gz AKOBPXZWOVZNCQ-HRCADAONSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001053807113 758836116 /nfs/dbraw/zinc/83/61/16/758836116.db2.gz AKOBPXZWOVZNCQ-HRCADAONSA-N 2 2 321.465 1.252 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173334 759254849 /nfs/dbraw/zinc/25/48/49/759254849.db2.gz NMUQUIKOAMJQQN-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173334 759254854 /nfs/dbraw/zinc/25/48/54/759254854.db2.gz NMUQUIKOAMJQQN-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001019279613 759756666 /nfs/dbraw/zinc/75/66/66/759756666.db2.gz JUXWBMYHSNXHQN-DOTOQJQBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001019279613 759756670 /nfs/dbraw/zinc/75/66/70/759756670.db2.gz JUXWBMYHSNXHQN-DOTOQJQBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001054696424 759987441 /nfs/dbraw/zinc/98/74/41/759987441.db2.gz WIAYETIAKVZIIA-UKRRQHHQSA-N 2 2 302.422 1.384 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680957 759995009 /nfs/dbraw/zinc/99/50/09/759995009.db2.gz QBHDKKRCNZXURS-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680957 759995014 /nfs/dbraw/zinc/99/50/14/759995014.db2.gz QBHDKKRCNZXURS-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085713458 760083266 /nfs/dbraw/zinc/08/32/66/760083266.db2.gz KLJBZKKYZNNMCR-OAHLLOKOSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085713458 760083276 /nfs/dbraw/zinc/08/32/76/760083276.db2.gz KLJBZKKYZNNMCR-OAHLLOKOSA-N 2 2 311.389 1.600 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816732 760298400 /nfs/dbraw/zinc/29/84/00/760298400.db2.gz FJFWRXVSFAAPRU-HZPDHXFCSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816732 760298405 /nfs/dbraw/zinc/29/84/05/760298405.db2.gz FJFWRXVSFAAPRU-HZPDHXFCSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086127482 761023988 /nfs/dbraw/zinc/02/39/88/761023988.db2.gz PUMHQDRFHAUMGN-MCIONIFRSA-N 2 2 322.840 1.682 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242098 762905199 /nfs/dbraw/zinc/90/51/99/762905199.db2.gz RAJLZEPAHQGDPK-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242098 762905200 /nfs/dbraw/zinc/90/52/00/762905200.db2.gz RAJLZEPAHQGDPK-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041522163 763100426 /nfs/dbraw/zinc/10/04/26/763100426.db2.gz DQPRJQJROMGDJS-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041522163 763100431 /nfs/dbraw/zinc/10/04/31/763100431.db2.gz DQPRJQJROMGDJS-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665513 763207714 /nfs/dbraw/zinc/20/77/14/763207714.db2.gz SXYPXIYOYDIKBT-KSSFIOAISA-N 2 2 314.433 1.940 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665513 763207723 /nfs/dbraw/zinc/20/77/23/763207723.db2.gz SXYPXIYOYDIKBT-KSSFIOAISA-N 2 2 314.433 1.940 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042374763 763978415 /nfs/dbraw/zinc/97/84/15/763978415.db2.gz MLWNXHVHUKAQCY-KBPBESRZSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042374763 763978421 /nfs/dbraw/zinc/97/84/21/763978421.db2.gz MLWNXHVHUKAQCY-KBPBESRZSA-N 2 2 308.813 1.558 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138841 764344513 /nfs/dbraw/zinc/34/45/13/764344513.db2.gz LHTNZUWDGPHMSQ-HZPDHXFCSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138841 764344517 /nfs/dbraw/zinc/34/45/17/764344517.db2.gz LHTNZUWDGPHMSQ-HZPDHXFCSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570085 764412060 /nfs/dbraw/zinc/41/20/60/764412060.db2.gz CVGROYFSFGQNOL-YOEHRIQHSA-N 2 2 302.422 1.665 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001051211265 764626507 /nfs/dbraw/zinc/62/65/07/764626507.db2.gz BGALWJHMGDSUSJ-AWEZNQCLSA-N 2 2 318.421 1.154 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001051211265 764626510 /nfs/dbraw/zinc/62/65/10/764626510.db2.gz BGALWJHMGDSUSJ-AWEZNQCLSA-N 2 2 318.421 1.154 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001043465665 764922353 /nfs/dbraw/zinc/92/23/53/764922353.db2.gz BKLRMFRIAOBCIW-UHFFFAOYSA-N 2 2 313.445 1.570 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112907016 764949480 /nfs/dbraw/zinc/94/94/80/764949480.db2.gz WLYSGUJTPHQYPH-HNNXBMFYSA-N 2 2 315.433 1.013 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001113053666 765197225 /nfs/dbraw/zinc/19/72/25/765197225.db2.gz LZPLJJHMIXKFBB-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001044815091 765831035 /nfs/dbraw/zinc/83/10/35/765831035.db2.gz DERIPIJUMQIVSP-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052463403 765852364 /nfs/dbraw/zinc/85/23/64/765852364.db2.gz SCYOFBIZZDDPLC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052463403 765852369 /nfs/dbraw/zinc/85/23/69/765852369.db2.gz SCYOFBIZZDDPLC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052463403 765852374 /nfs/dbraw/zinc/85/23/74/765852374.db2.gz SCYOFBIZZDDPLC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052463403 765852380 /nfs/dbraw/zinc/85/23/80/765852380.db2.gz SCYOFBIZZDDPLC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506874 765899268 /nfs/dbraw/zinc/89/92/68/765899268.db2.gz NAPNDUNFZJQLFX-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506874 765899271 /nfs/dbraw/zinc/89/92/71/765899271.db2.gz NAPNDUNFZJQLFX-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266303 767402881 /nfs/dbraw/zinc/40/28/81/767402881.db2.gz SQMWBYLAFNUHKB-UHFFFAOYSA-N 2 2 319.368 1.954 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323571 767422435 /nfs/dbraw/zinc/42/24/35/767422435.db2.gz OSAWULQRBVJWDF-ZBFHGGJFSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323571 767422440 /nfs/dbraw/zinc/42/24/40/767422440.db2.gz OSAWULQRBVJWDF-ZBFHGGJFSA-N 2 2 311.857 1.661 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364631 769748664 /nfs/dbraw/zinc/74/86/64/769748664.db2.gz ZOGSGGCESSEZHT-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048884640 770046064 /nfs/dbraw/zinc/04/60/64/770046064.db2.gz FRXITBVVARTVPB-IYBDPMFKSA-N 2 2 316.449 1.893 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048884640 770046073 /nfs/dbraw/zinc/04/60/73/770046073.db2.gz FRXITBVVARTVPB-IYBDPMFKSA-N 2 2 316.449 1.893 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999038 770411229 /nfs/dbraw/zinc/41/12/29/770411229.db2.gz MDQDQZUUGJFMST-ZIAGYGMSSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999038 770411237 /nfs/dbraw/zinc/41/12/37/770411237.db2.gz MDQDQZUUGJFMST-ZIAGYGMSSA-N 2 2 300.406 1.364 20 30 DDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403879 770989805 /nfs/dbraw/zinc/98/98/05/770989805.db2.gz UYFBSZPAVYVCFL-ZIAGYGMSSA-N 2 2 304.438 1.821 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049645006 771047270 /nfs/dbraw/zinc/04/72/70/771047270.db2.gz LCKBLXHZAUGRCN-SOUVJXGZSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049645006 771047275 /nfs/dbraw/zinc/04/72/75/771047275.db2.gz LCKBLXHZAUGRCN-SOUVJXGZSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049645006 771047277 /nfs/dbraw/zinc/04/72/77/771047277.db2.gz LCKBLXHZAUGRCN-SOUVJXGZSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049645006 771047281 /nfs/dbraw/zinc/04/72/81/771047281.db2.gz LCKBLXHZAUGRCN-SOUVJXGZSA-N 2 2 311.857 1.898 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730406 771144750 /nfs/dbraw/zinc/14/47/50/771144750.db2.gz WOVUCYHGXXKNGM-UONOGXRCSA-N 2 2 304.438 1.823 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848711 771205832 /nfs/dbraw/zinc/20/58/32/771205832.db2.gz LGIXYJWYULHFQQ-HOTGVXAUSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848711 771205833 /nfs/dbraw/zinc/20/58/33/771205833.db2.gz LGIXYJWYULHFQQ-HOTGVXAUSA-N 2 2 302.422 1.604 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086737576 771539284 /nfs/dbraw/zinc/53/92/84/771539284.db2.gz PQPHOIVHOBJAHE-SOUVJXGZSA-N 2 2 314.433 1.331 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086737576 771539286 /nfs/dbraw/zinc/53/92/86/771539286.db2.gz PQPHOIVHOBJAHE-SOUVJXGZSA-N 2 2 314.433 1.331 20 30 DDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589154 771603119 /nfs/dbraw/zinc/60/31/19/771603119.db2.gz KFVCBZQXYRPENK-CVEARBPZSA-N 2 2 323.481 1.690 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001136863316 772177875 /nfs/dbraw/zinc/17/78/75/772177875.db2.gz XNJVUZZUQQCSAJ-UHFFFAOYSA-N 2 2 315.417 1.657 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001136863316 772177878 /nfs/dbraw/zinc/17/78/78/772177878.db2.gz XNJVUZZUQQCSAJ-UHFFFAOYSA-N 2 2 315.417 1.657 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146474556 772881243 /nfs/dbraw/zinc/88/12/43/772881243.db2.gz WVSVMGOIYIQULI-UHFFFAOYSA-N 2 2 314.389 1.394 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319516 774058660 /nfs/dbraw/zinc/05/86/60/774058660.db2.gz PQEHTHCUPKHGKV-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319516 774058667 /nfs/dbraw/zinc/05/86/67/774058667.db2.gz PQEHTHCUPKHGKV-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716735 774390392 /nfs/dbraw/zinc/39/03/92/774390392.db2.gz LFQRKWVBBVBBRJ-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@H]21 ZINC001036716735 774390401 /nfs/dbraw/zinc/39/04/01/774390401.db2.gz LFQRKWVBBVBBRJ-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778781 774593947 /nfs/dbraw/zinc/59/39/47/774593947.db2.gz ZCXMSDLGCNSRPO-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778781 774593953 /nfs/dbraw/zinc/59/39/53/774593953.db2.gz ZCXMSDLGCNSRPO-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036906857 776090247 /nfs/dbraw/zinc/09/02/47/776090247.db2.gz LGFPYYMDGYXVRD-UONOGXRCSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036906857 776090251 /nfs/dbraw/zinc/09/02/51/776090251.db2.gz LGFPYYMDGYXVRD-UONOGXRCSA-N 2 2 308.813 1.558 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001094945788 776877097 /nfs/dbraw/zinc/87/70/97/776877097.db2.gz HBYYOLADJRLZER-IMJJTQAJSA-N 2 2 313.401 1.235 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513239 778179559 /nfs/dbraw/zinc/17/95/59/778179559.db2.gz BARWFAGYSHQNPE-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513239 778179564 /nfs/dbraw/zinc/17/95/64/778179564.db2.gz BARWFAGYSHQNPE-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688221 778996106 /nfs/dbraw/zinc/99/61/06/778996106.db2.gz QJIHUUNEWDWWCU-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688221 778996111 /nfs/dbraw/zinc/99/61/11/778996111.db2.gz QJIHUUNEWDWWCU-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178872716 779206891 /nfs/dbraw/zinc/20/68/91/779206891.db2.gz SBMQNXGLDVXCHX-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022924 779249917 /nfs/dbraw/zinc/24/99/17/779249917.db2.gz YURPTXPACOFGCA-LZWOXQAQSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386816 779750128 /nfs/dbraw/zinc/75/01/28/779750128.db2.gz OJQLUIJSYVOJBG-YOEHRIQHSA-N 2 2 300.406 1.194 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386816 779750134 /nfs/dbraw/zinc/75/01/34/779750134.db2.gz OJQLUIJSYVOJBG-YOEHRIQHSA-N 2 2 300.406 1.194 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120068450 781745667 /nfs/dbraw/zinc/74/56/67/781745667.db2.gz KPEUGERNXUVYJS-UHFFFAOYSA-N 2 2 302.422 1.693 20 30 DDEDLP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414406 836224028 /nfs/dbraw/zinc/22/40/28/836224028.db2.gz BOSSUOSNQBHADL-LSDHHAIUSA-N 2 2 302.422 1.506 20 30 DDEDLP CC#CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001267521500 838241127 /nfs/dbraw/zinc/24/11/27/838241127.db2.gz SMOTYWREUXDLFP-KRWDZBQOSA-N 2 2 310.401 1.662 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790082 838980222 /nfs/dbraw/zinc/98/02/22/838980222.db2.gz KABXMTCQUPQLHF-INIZCTEOSA-N 2 2 302.422 1.528 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790082 838980230 /nfs/dbraw/zinc/98/02/30/838980230.db2.gz KABXMTCQUPQLHF-INIZCTEOSA-N 2 2 302.422 1.528 20 30 DDEDLP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001268076266 839651906 /nfs/dbraw/zinc/65/19/06/839651906.db2.gz BSINTOKSAXXAMU-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268768117 840772842 /nfs/dbraw/zinc/77/28/42/840772842.db2.gz VJXRBZFQGHYPOR-HOCLYGCPSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268768117 840772847 /nfs/dbraw/zinc/77/28/47/840772847.db2.gz VJXRBZFQGHYPOR-HOCLYGCPSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001269558851 841763196 /nfs/dbraw/zinc/76/31/96/841763196.db2.gz JGGYCIIWTXTOJB-CQSZACIVSA-N 2 2 300.406 1.097 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001271721167 843806132 /nfs/dbraw/zinc/80/61/32/843806132.db2.gz KNKYEJXHWJWZBR-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001271752312 843841521 /nfs/dbraw/zinc/84/15/21/843841521.db2.gz QEKGWXDDZNDSQJ-GOEBONIOSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001326713293 861562734 /nfs/dbraw/zinc/56/27/34/861562734.db2.gz ASWVCSGPZBAZJP-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001272471094 846170532 /nfs/dbraw/zinc/17/05/32/846170532.db2.gz SLAXPIUETLNMDO-KBPBESRZSA-N 2 2 316.405 1.369 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC001326859617 861664560 /nfs/dbraw/zinc/66/45/60/861664560.db2.gz NZBLGGKLDJGEDG-UHFFFAOYSA-N 2 2 308.385 1.748 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654454 861786274 /nfs/dbraw/zinc/78/62/74/861786274.db2.gz YBEXYIBQFPQXMZ-HNNXBMFYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654454 861786288 /nfs/dbraw/zinc/78/62/88/861786288.db2.gz YBEXYIBQFPQXMZ-HNNXBMFYSA-N 2 2 320.437 1.516 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001272998272 847763249 /nfs/dbraw/zinc/76/32/49/847763249.db2.gz AZWVUUDXYSMMFR-HZPDHXFCSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034249535 848156952 /nfs/dbraw/zinc/15/69/52/848156952.db2.gz KXKZSEBGEZVKGD-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034249535 848156956 /nfs/dbraw/zinc/15/69/56/848156956.db2.gz KXKZSEBGEZVKGD-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034249535 848156961 /nfs/dbraw/zinc/15/69/61/848156961.db2.gz KXKZSEBGEZVKGD-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034249535 848156966 /nfs/dbraw/zinc/15/69/66/848156966.db2.gz KXKZSEBGEZVKGD-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273487974 851021412 /nfs/dbraw/zinc/02/14/12/851021412.db2.gz XYWJACMFWIGXPL-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273487974 851021417 /nfs/dbraw/zinc/02/14/17/851021417.db2.gz XYWJACMFWIGXPL-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100744 852804850 /nfs/dbraw/zinc/80/48/50/852804850.db2.gz QVRUBFJAFLLQPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100744 852804855 /nfs/dbraw/zinc/80/48/55/852804855.db2.gz QVRUBFJAFLLQPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275100744 852804864 /nfs/dbraw/zinc/80/48/64/852804864.db2.gz QVRUBFJAFLLQPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275100744 852804873 /nfs/dbraw/zinc/80/48/73/852804873.db2.gz QVRUBFJAFLLQPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001276094781 854760906 /nfs/dbraw/zinc/76/09/06/854760906.db2.gz RFZZWANXEIGHEH-CVEARBPZSA-N 2 2 323.481 1.236 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994638 857978261 /nfs/dbraw/zinc/97/82/61/857978261.db2.gz KVFDAXNAEPBIBG-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994638 857978265 /nfs/dbraw/zinc/97/82/65/857978265.db2.gz KVFDAXNAEPBIBG-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1C#N ZINC001139727424 860464034 /nfs/dbraw/zinc/46/40/34/860464034.db2.gz QCSXFJAGIYUNHZ-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1C#N ZINC001139727424 860464036 /nfs/dbraw/zinc/46/40/36/860464036.db2.gz QCSXFJAGIYUNHZ-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP C=CCN1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140974166 860749628 /nfs/dbraw/zinc/74/96/28/860749628.db2.gz VXWYFDCLIWRMRN-UHFFFAOYSA-N 2 2 314.477 1.742 20 30 DDEDLP C=CC[NH+]1CCN(Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140974166 860749633 /nfs/dbraw/zinc/74/96/33/860749633.db2.gz VXWYFDCLIWRMRN-UHFFFAOYSA-N 2 2 314.477 1.742 20 30 DDEDLP CC#CC[NH2+][C@@H](CCN(C)C(=O)CCc1c[nH+]cn1C)C(C)C ZINC001329764371 863837637 /nfs/dbraw/zinc/83/76/37/863837637.db2.gz FUZJWKKLGYCOIW-KRWDZBQOSA-N 2 2 318.465 1.839 20 30 DDEDLP N#Cc1cnc(Cl)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258760 864520804 /nfs/dbraw/zinc/52/08/04/864520804.db2.gz IOBASZNVUJFFLY-NSHDSACASA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1cnc(Cl)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258760 864520807 /nfs/dbraw/zinc/52/08/07/864520807.db2.gz IOBASZNVUJFFLY-NSHDSACASA-N 2 2 306.801 1.003 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331294204 864994012 /nfs/dbraw/zinc/99/40/12/864994012.db2.gz IGKNJSLVUMMABH-HOTGVXAUSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001331476432 865109785 /nfs/dbraw/zinc/10/97/85/865109785.db2.gz VMILILAFPNIONE-HOTGVXAUSA-N 2 2 304.438 1.930 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001332329795 865766305 /nfs/dbraw/zinc/76/63/05/865766305.db2.gz QUPPVERPWBUGSV-LSDHHAIUSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@@](C)([NH3+])Cc2ccc(F)cc2)CC1 ZINC001160432476 865835678 /nfs/dbraw/zinc/83/56/78/865835678.db2.gz XEUVCQAPCDPOQQ-KRWDZBQOSA-N 2 2 305.397 1.416 20 30 DDEDLP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(Cl)cc1C#N ZINC001160520676 865907260 /nfs/dbraw/zinc/90/72/60/865907260.db2.gz SPUJDXNHTGBROK-HNNXBMFYSA-N 2 2 305.813 1.750 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323480 866530608 /nfs/dbraw/zinc/53/06/08/866530608.db2.gz LPZSVMOCYQRBQU-GFCCVEGCSA-N 2 2 310.829 1.671 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323480 866530617 /nfs/dbraw/zinc/53/06/17/866530617.db2.gz LPZSVMOCYQRBQU-GFCCVEGCSA-N 2 2 310.829 1.671 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323481 866530648 /nfs/dbraw/zinc/53/06/48/866530648.db2.gz LPZSVMOCYQRBQU-LBPRGKRZSA-N 2 2 310.829 1.671 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323481 866530660 /nfs/dbraw/zinc/53/06/60/866530660.db2.gz LPZSVMOCYQRBQU-LBPRGKRZSA-N 2 2 310.829 1.671 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013396 868000941 /nfs/dbraw/zinc/00/09/41/868000941.db2.gz NEGVAAIFEWPWOX-UHFFFAOYSA-N 2 2 310.401 1.177 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165592911 869647730 /nfs/dbraw/zinc/64/77/30/869647730.db2.gz DEUKRLUPGBHMBS-ZIAGYGMSSA-N 2 2 300.406 1.413 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165592911 869647732 /nfs/dbraw/zinc/64/77/32/869647732.db2.gz DEUKRLUPGBHMBS-ZIAGYGMSSA-N 2 2 300.406 1.413 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165837409 869729346 /nfs/dbraw/zinc/72/93/46/869729346.db2.gz ULYVQEKPMCWYPQ-AWEZNQCLSA-N 2 2 316.449 1.885 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165837409 869729353 /nfs/dbraw/zinc/72/93/53/869729353.db2.gz ULYVQEKPMCWYPQ-AWEZNQCLSA-N 2 2 316.449 1.885 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165847898 869733848 /nfs/dbraw/zinc/73/38/48/869733848.db2.gz HCBZVXLKYCQGLO-CQSZACIVSA-N 2 2 302.422 1.508 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203661426 870697968 /nfs/dbraw/zinc/69/79/68/870697968.db2.gz VDPRCDFQNHNACD-HUUCEWRRSA-N 2 2 300.406 1.301 20 30 DDEDLP CC#CC[N@H+](CCC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317540298 871027357 /nfs/dbraw/zinc/02/73/57/871027357.db2.gz FNLWFUYGWNSJGC-UHFFFAOYSA-N 2 2 304.438 1.778 20 30 DDEDLP CC#CC[N@@H+](CCC)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317540298 871027381 /nfs/dbraw/zinc/02/73/81/871027381.db2.gz FNLWFUYGWNSJGC-UHFFFAOYSA-N 2 2 304.438 1.778 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317385351 871264567 /nfs/dbraw/zinc/26/45/67/871264567.db2.gz UVILLNACLFOJSP-OAHLLOKOSA-N 2 2 306.410 1.009 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317385351 871264584 /nfs/dbraw/zinc/26/45/84/871264584.db2.gz UVILLNACLFOJSP-OAHLLOKOSA-N 2 2 306.410 1.009 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787114 871504144 /nfs/dbraw/zinc/50/41/44/871504144.db2.gz CBALMHCZLIKHAK-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787114 871504155 /nfs/dbraw/zinc/50/41/55/871504155.db2.gz CBALMHCZLIKHAK-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316807095 871909234 /nfs/dbraw/zinc/90/92/34/871909234.db2.gz ZOUVROHYIHAJCJ-KRWDZBQOSA-N 2 2 316.449 2.000 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001316807095 871909245 /nfs/dbraw/zinc/90/92/45/871909245.db2.gz ZOUVROHYIHAJCJ-KRWDZBQOSA-N 2 2 316.449 2.000 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001316773071 872019749 /nfs/dbraw/zinc/01/97/49/872019749.db2.gz FBYOMSUJJMIFLN-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917658 872358770 /nfs/dbraw/zinc/35/87/70/872358770.db2.gz HOVWZCWAHHSLIG-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917658 872358781 /nfs/dbraw/zinc/35/87/81/872358781.db2.gz HOVWZCWAHHSLIG-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001319322592 872571332 /nfs/dbraw/zinc/57/13/32/872571332.db2.gz NFBYJGXRZUDEOZ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001319322592 872571336 /nfs/dbraw/zinc/57/13/36/872571336.db2.gz NFBYJGXRZUDEOZ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208436001 874139181 /nfs/dbraw/zinc/13/91/81/874139181.db2.gz SVIYWESLDPLUJL-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450958 874153707 /nfs/dbraw/zinc/15/37/07/874153707.db2.gz OPZXGOBTEMJWRK-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738477 874432423 /nfs/dbraw/zinc/43/24/23/874432423.db2.gz OSMKHGLSPLRBCK-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738477 874432428 /nfs/dbraw/zinc/43/24/28/874432428.db2.gz OSMKHGLSPLRBCK-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001276700796 875898164 /nfs/dbraw/zinc/89/81/64/875898164.db2.gz QCJGJIJJXDVFHX-PHZGNYQRSA-N 2 2 316.449 1.613 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001276700796 875898172 /nfs/dbraw/zinc/89/81/72/875898172.db2.gz QCJGJIJJXDVFHX-PHZGNYQRSA-N 2 2 316.449 1.613 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379133949 876482723 /nfs/dbraw/zinc/48/27/23/876482723.db2.gz UEFJFOQPBVJVDE-KRWDZBQOSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379133949 876482725 /nfs/dbraw/zinc/48/27/25/876482725.db2.gz UEFJFOQPBVJVDE-KRWDZBQOSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379133949 876482727 /nfs/dbraw/zinc/48/27/27/876482727.db2.gz UEFJFOQPBVJVDE-KRWDZBQOSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379133949 876482728 /nfs/dbraw/zinc/48/27/28/876482728.db2.gz UEFJFOQPBVJVDE-KRWDZBQOSA-N 2 2 314.433 1.400 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001218581612 877588483 /nfs/dbraw/zinc/58/84/83/877588483.db2.gz MZCQNPDXRIIDEX-ZDUSSCGKSA-N 2 2 312.377 1.125 20 30 DDEDLP N#Cc1nc2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2s1 ZINC001218910605 877802913 /nfs/dbraw/zinc/80/29/13/877802913.db2.gz MEJJDJVLJOIHKV-UHFFFAOYSA-N 2 2 301.375 1.187 20 30 DDEDLP C#CCC[NH+]1CCC(N(CC#C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001278168433 889956662 /nfs/dbraw/zinc/95/66/62/889956662.db2.gz AGNWEEOHUYICNY-UHFFFAOYSA-N 2 2 312.417 1.223 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cncnc2C)CC1 ZINC001238174318 890119605 /nfs/dbraw/zinc/11/96/05/890119605.db2.gz VXLBIKIOFLDBGO-UHFFFAOYSA-N 2 2 315.465 1.577 20 30 DDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246533899 892682749 /nfs/dbraw/zinc/68/27/49/892682749.db2.gz OXLNUDQSWDZDGA-LSDHHAIUSA-N 2 2 307.438 1.847 20 30 DDEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659947 896552898 /nfs/dbraw/zinc/55/28/98/896552898.db2.gz UMWQDPZSMSPGPD-FGTMMUONSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659947 896552912 /nfs/dbraw/zinc/55/29/12/896552912.db2.gz UMWQDPZSMSPGPD-FGTMMUONSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659947 896552922 /nfs/dbraw/zinc/55/29/22/896552922.db2.gz UMWQDPZSMSPGPD-FGTMMUONSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659947 896552935 /nfs/dbraw/zinc/55/29/35/896552935.db2.gz UMWQDPZSMSPGPD-FGTMMUONSA-N 2 2 321.465 1.739 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001265332725 901896377 /nfs/dbraw/zinc/89/63/77/901896377.db2.gz ZYAODOSXGSVTAD-CVEARBPZSA-N 2 2 314.433 1.828 20 30 DDEDLP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001265335791 901898490 /nfs/dbraw/zinc/89/84/90/901898490.db2.gz HLRPHYBTFYPQIU-OAHLLOKOSA-N 2 2 318.421 1.056 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397412 901970349 /nfs/dbraw/zinc/97/03/49/901970349.db2.gz YOJVAUCTSKSWML-CABCVRRESA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397412 901970356 /nfs/dbraw/zinc/97/03/56/901970356.db2.gz YOJVAUCTSKSWML-CABCVRRESA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397412 901970367 /nfs/dbraw/zinc/97/03/67/901970367.db2.gz YOJVAUCTSKSWML-CABCVRRESA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397412 901970376 /nfs/dbraw/zinc/97/03/76/901970376.db2.gz YOJVAUCTSKSWML-CABCVRRESA-N 2 2 304.438 1.945 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265613467 902203641 /nfs/dbraw/zinc/20/36/41/902203641.db2.gz PLTQZRZATKLHSY-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265613467 902203660 /nfs/dbraw/zinc/20/36/60/902203660.db2.gz PLTQZRZATKLHSY-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265675364 902289288 /nfs/dbraw/zinc/28/92/88/902289288.db2.gz GSOVPHOCQWHKNI-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001279288902 903211318 /nfs/dbraw/zinc/21/13/18/903211318.db2.gz QYEZSJVJRROIOA-WKILWMFISA-N 2 2 302.422 1.419 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nocc1C ZINC001283616901 907684947 /nfs/dbraw/zinc/68/49/47/907684947.db2.gz BYPSFILAJYINRU-HOCLYGCPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nocc1C ZINC001283616901 907684953 /nfs/dbraw/zinc/68/49/53/907684953.db2.gz BYPSFILAJYINRU-HOCLYGCPSA-N 2 2 318.421 1.017 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284026613 908336899 /nfs/dbraw/zinc/33/68/99/908336899.db2.gz QOVGDMHLYIVRFA-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001394116850 908859263 /nfs/dbraw/zinc/85/92/63/908859263.db2.gz NABAUCZFPZYVKQ-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001394116850 908859281 /nfs/dbraw/zinc/85/92/81/908859281.db2.gz NABAUCZFPZYVKQ-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001394133112 908924149 /nfs/dbraw/zinc/92/41/49/908924149.db2.gz IWLHAKHRSJXOCJ-GXTWGEPZSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001394133112 908924158 /nfs/dbraw/zinc/92/41/58/908924158.db2.gz IWLHAKHRSJXOCJ-GXTWGEPZSA-N 2 2 317.861 1.144 20 30 DDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329311500 539303009 /nfs/dbraw/zinc/30/30/09/539303009.db2.gz RDAFVIAMVACQRB-CQSZACIVSA-N 2 2 317.437 1.502 20 30 DDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329311500 539303011 /nfs/dbraw/zinc/30/30/11/539303011.db2.gz RDAFVIAMVACQRB-CQSZACIVSA-N 2 2 317.437 1.502 20 30 DDEDLP C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638678 365973246 /nfs/dbraw/zinc/97/32/46/365973246.db2.gz OHPDTZLJWAJGEU-HZPDHXFCSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638678 365973253 /nfs/dbraw/zinc/97/32/53/365973253.db2.gz OHPDTZLJWAJGEU-HZPDHXFCSA-N 2 2 320.481 1.763 20 30 DDEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734056 355373699 /nfs/dbraw/zinc/37/36/99/355373699.db2.gz ZIEFKMBPCQILKW-CVEARBPZSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734056 355373702 /nfs/dbraw/zinc/37/37/02/355373702.db2.gz ZIEFKMBPCQILKW-CVEARBPZSA-N 2 2 303.406 1.176 20 30 DDEDLP CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000602533949 359031770 /nfs/dbraw/zinc/03/17/70/359031770.db2.gz ZVRYUBILNKYZIW-KRWDZBQOSA-N 2 2 316.449 1.822 20 30 DDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429596 359634784 /nfs/dbraw/zinc/63/47/84/359634784.db2.gz YWYAXFIPXYNSEY-BRWVUGGUSA-N 2 2 306.454 1.065 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157426 360268156 /nfs/dbraw/zinc/26/81/56/360268156.db2.gz OOANWFVYFUTXRX-HNNXBMFYSA-N 2 2 314.393 1.176 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157426 360268162 /nfs/dbraw/zinc/26/81/62/360268162.db2.gz OOANWFVYFUTXRX-HNNXBMFYSA-N 2 2 314.393 1.176 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258144 360278534 /nfs/dbraw/zinc/27/85/34/360278534.db2.gz MYNVEICXDCRVHS-INMHGKMJSA-N 2 2 317.437 1.963 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258144 360278538 /nfs/dbraw/zinc/27/85/38/360278538.db2.gz MYNVEICXDCRVHS-INMHGKMJSA-N 2 2 317.437 1.963 20 30 DDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000611500495 360738607 /nfs/dbraw/zinc/73/86/07/360738607.db2.gz ORUJSSAZIVGWJF-BETUJISGSA-N 2 2 306.207 1.972 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000611500495 360738612 /nfs/dbraw/zinc/73/86/12/360738612.db2.gz ORUJSSAZIVGWJF-BETUJISGSA-N 2 2 306.207 1.972 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC000330180757 223083500 /nfs/dbraw/zinc/08/35/00/223083500.db2.gz GFLBLQWBIOJBBQ-DOMZBBRYSA-N 2 2 323.466 1.139 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000566088944 304115384 /nfs/dbraw/zinc/11/53/84/304115384.db2.gz RLJCBFMZSMFTSP-KBRIMQKVSA-N 2 2 312.417 1.389 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958907 296123479 /nfs/dbraw/zinc/12/34/79/296123479.db2.gz QPTRFMAWMCLHNZ-WBMJQRKESA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958907 296123481 /nfs/dbraw/zinc/12/34/81/296123481.db2.gz QPTRFMAWMCLHNZ-WBMJQRKESA-N 2 2 318.396 1.688 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369598940 285040053 /nfs/dbraw/zinc/04/00/53/285040053.db2.gz GKCNIRHZJQYQBC-WCXIOVBPSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369598940 285040054 /nfs/dbraw/zinc/04/00/54/285040054.db2.gz GKCNIRHZJQYQBC-WCXIOVBPSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369598940 285040055 /nfs/dbraw/zinc/04/00/55/285040055.db2.gz GKCNIRHZJQYQBC-WCXIOVBPSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369598940 285040056 /nfs/dbraw/zinc/04/00/56/285040056.db2.gz GKCNIRHZJQYQBC-WCXIOVBPSA-N 2 2 318.465 1.411 20 30 DDEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329692931 533588991 /nfs/dbraw/zinc/58/89/91/533588991.db2.gz AQCZRTFXMMTEBA-TZMCWYRMSA-N 2 2 319.453 1.843 20 30 DDEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329692931 533589009 /nfs/dbraw/zinc/58/90/09/533589009.db2.gz AQCZRTFXMMTEBA-TZMCWYRMSA-N 2 2 319.453 1.843 20 30 DDEDLP C=C(Br)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136069200 408072206 /nfs/dbraw/zinc/07/22/06/408072206.db2.gz AHSCXKDKTMJFHV-CQSZACIVSA-N 2 2 316.287 1.997 20 30 DDEDLP C=C(Br)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136069200 408072211 /nfs/dbraw/zinc/07/22/11/408072211.db2.gz AHSCXKDKTMJFHV-CQSZACIVSA-N 2 2 316.287 1.997 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175727956 408189614 /nfs/dbraw/zinc/18/96/14/408189614.db2.gz VOWBENPTYXFIHQ-XHSDSOJGSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175727956 408189616 /nfs/dbraw/zinc/18/96/16/408189616.db2.gz VOWBENPTYXFIHQ-XHSDSOJGSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175727956 408189621 /nfs/dbraw/zinc/18/96/21/408189621.db2.gz VOWBENPTYXFIHQ-XHSDSOJGSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175727956 408189625 /nfs/dbraw/zinc/18/96/25/408189625.db2.gz VOWBENPTYXFIHQ-XHSDSOJGSA-N 2 2 308.470 1.657 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192013375 163212323 /nfs/dbraw/zinc/21/23/23/163212323.db2.gz JNHJUIGOXKOYQY-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192013375 163212327 /nfs/dbraw/zinc/21/23/27/163212327.db2.gz JNHJUIGOXKOYQY-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000289507742 409280695 /nfs/dbraw/zinc/28/06/95/409280695.db2.gz FBDJTRFSLVLEET-GOSISDBHSA-N 2 2 309.417 1.845 20 30 DDEDLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329281900 410211176 /nfs/dbraw/zinc/21/11/76/410211176.db2.gz FEWHCBGBKXJRHJ-CQSZACIVSA-N 2 2 313.405 1.617 20 30 DDEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[N@@H+](C)C1CC1)C2 ZINC000329281043 410210531 /nfs/dbraw/zinc/21/05/31/410210531.db2.gz MJAMTWSXGBMIAP-UHFFFAOYSA-N 2 2 319.453 1.910 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347254963 410421863 /nfs/dbraw/zinc/42/18/63/410421863.db2.gz JZZMFCLWYLJAEU-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347254963 410421869 /nfs/dbraw/zinc/42/18/69/410421869.db2.gz JZZMFCLWYLJAEU-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329635858 410395335 /nfs/dbraw/zinc/39/53/35/410395335.db2.gz URVBRPKONDVRSH-UONOGXRCSA-N 2 2 317.437 1.599 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329635858 410395340 /nfs/dbraw/zinc/39/53/40/410395340.db2.gz URVBRPKONDVRSH-UONOGXRCSA-N 2 2 317.437 1.599 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329649571 410399175 /nfs/dbraw/zinc/39/91/75/410399175.db2.gz FIXZVQVTNXEWKM-ZIAGYGMSSA-N 2 2 317.437 1.741 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329649571 410399179 /nfs/dbraw/zinc/39/91/79/410399179.db2.gz FIXZVQVTNXEWKM-ZIAGYGMSSA-N 2 2 317.437 1.741 20 30 DDEDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000359733119 410841287 /nfs/dbraw/zinc/84/12/87/410841287.db2.gz GEBNKCVMTTWPDY-LJQANCHMSA-N 2 2 324.428 1.623 20 30 DDEDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000359733119 410841296 /nfs/dbraw/zinc/84/12/96/410841296.db2.gz GEBNKCVMTTWPDY-LJQANCHMSA-N 2 2 324.428 1.623 20 30 DDEDLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000330770713 410891905 /nfs/dbraw/zinc/89/19/05/410891905.db2.gz BMCUQTVQIFCSLA-UHFFFAOYSA-N 2 2 319.453 1.766 20 30 DDEDLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000330770713 410891910 /nfs/dbraw/zinc/89/19/10/410891910.db2.gz BMCUQTVQIFCSLA-UHFFFAOYSA-N 2 2 319.453 1.766 20 30 DDEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000344266427 411063183 /nfs/dbraw/zinc/06/31/83/411063183.db2.gz QOIKHMQYRUTMOI-INIZCTEOSA-N 2 2 305.397 1.880 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638523545 422961527 /nfs/dbraw/zinc/96/15/27/422961527.db2.gz BXHUTPJXQLZYMX-UHFFFAOYSA-N 2 2 313.423 1.057 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000238143885 222209576 /nfs/dbraw/zinc/20/95/76/222209576.db2.gz CFYJTEGERUDDQX-QGZVFWFLSA-N 2 2 317.433 1.915 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247226766 222228046 /nfs/dbraw/zinc/22/80/46/222228046.db2.gz CZJKCTSFNRFSQU-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247226766 222228050 /nfs/dbraw/zinc/22/80/50/222228050.db2.gz CZJKCTSFNRFSQU-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262314237 222275651 /nfs/dbraw/zinc/27/56/51/222275651.db2.gz QJIWCIWGVXVJOT-UHFFFAOYSA-N 2 2 316.384 1.196 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000265460400 222355235 /nfs/dbraw/zinc/35/52/35/222355235.db2.gz FKOOFMKIZRHKTN-MRXNPFEDSA-N 2 2 301.394 1.398 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(CC#N)CC2)CC1 ZINC000430896402 420201102 /nfs/dbraw/zinc/20/11/02/420201102.db2.gz HLSBWOJYLNXOBD-UHFFFAOYSA-N 2 2 307.442 1.005 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440819348 420609427 /nfs/dbraw/zinc/60/94/27/420609427.db2.gz LMJAFTYEXWKBSI-MRXNPFEDSA-N 2 2 303.406 1.767 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440819348 420609432 /nfs/dbraw/zinc/60/94/32/420609432.db2.gz LMJAFTYEXWKBSI-MRXNPFEDSA-N 2 2 303.406 1.767 20 30 DDEDLP C[NH+](C)CCc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000564868553 421593955 /nfs/dbraw/zinc/59/39/55/421593955.db2.gz TWIHQJFEHJMVED-MRXNPFEDSA-N 2 2 304.438 1.409 20 30 DDEDLP C[NH+](C)CCc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000564868553 421593957 /nfs/dbraw/zinc/59/39/57/421593957.db2.gz TWIHQJFEHJMVED-MRXNPFEDSA-N 2 2 304.438 1.409 20 30 DDEDLP C#CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372171376 275379354 /nfs/dbraw/zinc/37/93/54/275379354.db2.gz AMQWBCJHUPBXQH-MRXNPFEDSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372171376 275379355 /nfs/dbraw/zinc/37/93/55/275379355.db2.gz AMQWBCJHUPBXQH-MRXNPFEDSA-N 2 2 306.454 1.210 20 30 DDEDLP CC1CC[NH+](CCN(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000493881976 281809307 /nfs/dbraw/zinc/80/93/07/281809307.db2.gz GTTTZUBIBBFHSE-UHFFFAOYSA-N 2 2 308.470 1.266 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000563136761 333396001 /nfs/dbraw/zinc/39/60/01/333396001.db2.gz XATFOOFXZYXQMX-HNNXBMFYSA-N 2 2 305.422 1.335 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000563136761 333396003 /nfs/dbraw/zinc/39/60/03/333396003.db2.gz XATFOOFXZYXQMX-HNNXBMFYSA-N 2 2 305.422 1.335 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(Nc3cncc(C#N)n3)CC2)CC1 ZINC000582841892 337208017 /nfs/dbraw/zinc/20/80/17/337208017.db2.gz KKSVUXXQGOZCKM-UHFFFAOYSA-N 2 2 300.410 1.319 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429703 341293257 /nfs/dbraw/zinc/29/32/57/341293257.db2.gz NFSKZYLNSSRMII-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429703 341293258 /nfs/dbraw/zinc/29/32/58/341293258.db2.gz NFSKZYLNSSRMII-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429703 341293259 /nfs/dbraw/zinc/29/32/59/341293259.db2.gz NFSKZYLNSSRMII-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245429703 341293260 /nfs/dbraw/zinc/29/32/60/341293260.db2.gz NFSKZYLNSSRMII-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP C=C(Br)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370322 483932502 /nfs/dbraw/zinc/93/25/02/483932502.db2.gz QFAALKRIUYZDRN-CQSZACIVSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370322 483932494 /nfs/dbraw/zinc/93/24/94/483932494.db2.gz QFAALKRIUYZDRN-CQSZACIVSA-N 2 2 316.287 1.995 20 30 DDEDLP C#CCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491309629 526791858 /nfs/dbraw/zinc/79/18/58/526791858.db2.gz ZZZBCRLTDVULEW-UHFFFAOYSA-N 2 2 306.454 1.211 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491732782 526817534 /nfs/dbraw/zinc/81/75/34/526817534.db2.gz CJJJNVQHZXMMKU-UHFFFAOYSA-N 2 2 305.426 1.293 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491732782 526817536 /nfs/dbraw/zinc/81/75/36/526817536.db2.gz CJJJNVQHZXMMKU-UHFFFAOYSA-N 2 2 305.426 1.293 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000415039426 526886453 /nfs/dbraw/zinc/88/64/53/526886453.db2.gz MYWBCOMRMYOODW-HNNXBMFYSA-N 2 2 306.406 1.728 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000490937358 526951616 /nfs/dbraw/zinc/95/16/16/526951616.db2.gz UDXXPJSBTDXBPW-KRWDZBQOSA-N 2 2 317.458 1.566 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972007208 695138008 /nfs/dbraw/zinc/13/80/08/695138008.db2.gz XDKRDNPFJAEHQF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972007208 695138010 /nfs/dbraw/zinc/13/80/10/695138010.db2.gz XDKRDNPFJAEHQF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972007208 695138011 /nfs/dbraw/zinc/13/80/11/695138011.db2.gz XDKRDNPFJAEHQF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972007208 695138013 /nfs/dbraw/zinc/13/80/13/695138013.db2.gz XDKRDNPFJAEHQF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466010 695258009 /nfs/dbraw/zinc/25/80/09/695258009.db2.gz OJYVVMITKBZQBZ-QGZVFWFLSA-N 2 2 318.421 1.071 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466010 695258012 /nfs/dbraw/zinc/25/80/12/695258012.db2.gz OJYVVMITKBZQBZ-QGZVFWFLSA-N 2 2 318.421 1.071 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744874 695724545 /nfs/dbraw/zinc/72/45/45/695724545.db2.gz WLVHPZKKJASBNA-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744874 695724546 /nfs/dbraw/zinc/72/45/46/695724546.db2.gz WLVHPZKKJASBNA-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978714940 696445231 /nfs/dbraw/zinc/44/52/31/696445231.db2.gz UQWWIDAHUJWPNN-ZQDZILKHSA-N 2 2 314.433 1.700 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978714940 696445232 /nfs/dbraw/zinc/44/52/32/696445232.db2.gz UQWWIDAHUJWPNN-ZQDZILKHSA-N 2 2 314.433 1.700 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978938511 696477678 /nfs/dbraw/zinc/47/76/78/696477678.db2.gz YAJKNXDGXGRYRG-NNZMDNLPSA-N 2 2 320.396 1.413 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978938511 696477679 /nfs/dbraw/zinc/47/76/79/696477679.db2.gz YAJKNXDGXGRYRG-NNZMDNLPSA-N 2 2 320.396 1.413 20 30 DDEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC1CC1 ZINC000124246415 696740585 /nfs/dbraw/zinc/74/05/85/696740585.db2.gz KVBPEDXZMWDNGO-UHFFFAOYSA-N 2 2 316.449 1.893 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933286 696974321 /nfs/dbraw/zinc/97/43/21/696974321.db2.gz LFBFFXQVYHGLSM-AWEZNQCLSA-N 2 2 302.422 1.940 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933286 696974322 /nfs/dbraw/zinc/97/43/22/696974322.db2.gz LFBFFXQVYHGLSM-AWEZNQCLSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985510636 697522353 /nfs/dbraw/zinc/52/23/53/697522353.db2.gz WNDPCOSJWRSEAH-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985510636 697522355 /nfs/dbraw/zinc/52/23/55/697522355.db2.gz WNDPCOSJWRSEAH-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC000986420648 697807726 /nfs/dbraw/zinc/80/77/26/697807726.db2.gz VQEYLMIRSVEAFJ-DZGCQCFKSA-N 2 2 303.406 1.788 20 30 DDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(S(C)(=O)=O)cc1 ZINC000776186206 698077668 /nfs/dbraw/zinc/07/76/68/698077668.db2.gz RUHQGYZWVWNXID-UHFFFAOYSA-N 2 2 318.402 1.997 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC000989855110 698797936 /nfs/dbraw/zinc/79/79/36/698797936.db2.gz ZNZSRHUPLPPUCY-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000730104729 699501410 /nfs/dbraw/zinc/50/14/10/699501410.db2.gz WFXVAVNWNQMFQV-KBPBESRZSA-N 2 2 305.447 1.565 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000730104729 699501412 /nfs/dbraw/zinc/50/14/12/699501412.db2.gz WFXVAVNWNQMFQV-KBPBESRZSA-N 2 2 305.447 1.565 20 30 DDEDLP Cc1nccnc1[C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1nccnc1C ZINC000880109233 706880404 /nfs/dbraw/zinc/88/04/04/706880404.db2.gz UFYAKEJDKSXUAH-KBPBESRZSA-N 2 2 324.432 1.888 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927074732 712937863 /nfs/dbraw/zinc/93/78/63/712937863.db2.gz ZUHUDZHIKZRJBO-UHFFFAOYSA-N 2 2 302.422 1.992 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000836260489 707426584 /nfs/dbraw/zinc/42/65/84/707426584.db2.gz WGTKBLGDGGDORF-UHFFFAOYSA-N 2 2 314.433 1.257 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000836260489 707426589 /nfs/dbraw/zinc/42/65/89/707426589.db2.gz WGTKBLGDGGDORF-UHFFFAOYSA-N 2 2 314.433 1.257 20 30 DDEDLP C#CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000888286111 709265157 /nfs/dbraw/zinc/26/51/57/709265157.db2.gz GHFGCGFSEGRNNC-JKSUJKDBSA-N 2 2 318.465 1.210 20 30 DDEDLP C#CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000888286111 709265160 /nfs/dbraw/zinc/26/51/60/709265160.db2.gz GHFGCGFSEGRNNC-JKSUJKDBSA-N 2 2 318.465 1.210 20 30 DDEDLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000902178344 710650467 /nfs/dbraw/zinc/65/04/67/710650467.db2.gz UHYLRMFUCXLUSK-UHFFFAOYSA-N 2 2 322.384 1.063 20 30 DDEDLP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924579758 714612202 /nfs/dbraw/zinc/61/22/02/714612202.db2.gz ZGGRNLOXCJCDEG-QGZVFWFLSA-N 2 2 316.449 1.942 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C)CC1(C)C ZINC000940807178 716969915 /nfs/dbraw/zinc/96/99/15/716969915.db2.gz JCZWWTKTXGCHKA-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C)CC1(C)C ZINC000940807178 716969916 /nfs/dbraw/zinc/96/99/16/716969916.db2.gz JCZWWTKTXGCHKA-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)CC1(C)C ZINC000940807178 716969919 /nfs/dbraw/zinc/96/99/19/716969919.db2.gz JCZWWTKTXGCHKA-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)CC1(C)C ZINC000940807178 716969921 /nfs/dbraw/zinc/96/99/21/716969921.db2.gz JCZWWTKTXGCHKA-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844033 716987092 /nfs/dbraw/zinc/98/70/92/716987092.db2.gz AINJMXCORFEQRW-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844033 716987095 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PLMDVVFHVFWLGC-NVXWUHKLSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963406326 717777796 /nfs/dbraw/zinc/77/77/96/717777796.db2.gz PLMDVVFHVFWLGC-NVXWUHKLSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815635 718917242 /nfs/dbraw/zinc/91/72/42/718917242.db2.gz IMVMHTWVVDSXJR-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815635 718917245 /nfs/dbraw/zinc/91/72/45/718917245.db2.gz IMVMHTWVVDSXJR-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815635 718917247 /nfs/dbraw/zinc/91/72/47/718917247.db2.gz IMVMHTWVVDSXJR-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815635 718917249 /nfs/dbraw/zinc/91/72/49/718917249.db2.gz IMVMHTWVVDSXJR-OAGGEKHMSA-N 2 2 314.433 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1.660 20 30 DDEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570693 742121954 /nfs/dbraw/zinc/12/19/54/742121954.db2.gz XSLOUGYRAOPHER-HNNXBMFYSA-N 2 2 314.433 1.726 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001101024867 742259332 /nfs/dbraw/zinc/25/93/32/742259332.db2.gz JSPWIFVVJQHJMM-UHFFFAOYSA-N 2 2 319.474 1.777 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001101024867 742259333 /nfs/dbraw/zinc/25/93/33/742259333.db2.gz JSPWIFVVJQHJMM-UHFFFAOYSA-N 2 2 319.474 1.777 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363547 742436748 /nfs/dbraw/zinc/43/67/48/742436748.db2.gz JDHHVKQWABVLOA-UHFFFAOYSA-N 2 2 300.406 1.857 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228803 742610594 /nfs/dbraw/zinc/61/05/94/742610594.db2.gz LDFVIHBRSBNJRJ-OFQRWUPVSA-N 2 2 314.433 1.938 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733997 743768582 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DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000992755087 745178879 /nfs/dbraw/zinc/17/88/79/745178879.db2.gz WKDRAXQSYVYDDW-ARFHVFGLSA-N 2 2 322.412 1.798 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191011968 745404552 /nfs/dbraw/zinc/40/45/52/745404552.db2.gz VTQDJMLTLCLHMQ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191011968 745404555 /nfs/dbraw/zinc/40/45/55/745404555.db2.gz VTQDJMLTLCLHMQ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479507 745737690 /nfs/dbraw/zinc/73/76/90/745737690.db2.gz CYPKDBTZKWWMID-ZACQAIPSSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479507 745737694 /nfs/dbraw/zinc/73/76/94/745737694.db2.gz CYPKDBTZKWWMID-ZACQAIPSSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001036123896 752192002 /nfs/dbraw/zinc/19/20/02/752192002.db2.gz GJZNUODPCYKLDX-OCCSQVGLSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCCC(=O)OC)CC1 ZINC001202262880 748722782 /nfs/dbraw/zinc/72/27/82/748722782.db2.gz DCAZSWGTONIHGW-UHFFFAOYSA-N 2 2 309.454 1.231 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254248 761891377 /nfs/dbraw/zinc/89/13/77/761891377.db2.gz UBLZUIFWARIEAR-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254248 761891384 /nfs/dbraw/zinc/89/13/84/761891384.db2.gz UBLZUIFWARIEAR-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207472 748922239 /nfs/dbraw/zinc/92/22/39/748922239.db2.gz OWIWGLYKAGLFJN-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207472 748922244 /nfs/dbraw/zinc/92/22/44/748922244.db2.gz OWIWGLYKAGLFJN-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076053 748931487 /nfs/dbraw/zinc/93/14/87/748931487.db2.gz KNKYEJXHWJWZBR-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114385172 749125869 /nfs/dbraw/zinc/12/58/69/749125869.db2.gz UMDWRIBONGEJKP-MKVSYHDVSA-N 2 2 302.422 1.743 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114385172 749125873 /nfs/dbraw/zinc/12/58/73/749125873.db2.gz UMDWRIBONGEJKP-MKVSYHDVSA-N 2 2 302.422 1.743 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114385172 749125879 /nfs/dbraw/zinc/12/58/79/749125879.db2.gz UMDWRIBONGEJKP-MKVSYHDVSA-N 2 2 302.422 1.743 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114385172 749125884 /nfs/dbraw/zinc/12/58/84/749125884.db2.gz UMDWRIBONGEJKP-MKVSYHDVSA-N 2 2 302.422 1.743 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366547 749256531 /nfs/dbraw/zinc/25/65/31/749256531.db2.gz SPCPARDDUSDCKI-RDJZCZTQSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366547 749256536 /nfs/dbraw/zinc/25/65/36/749256536.db2.gz SPCPARDDUSDCKI-RDJZCZTQSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996740292 750010995 /nfs/dbraw/zinc/01/09/95/750010995.db2.gz UOUUSRZKOSZXTN-ZDUSSCGKSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000996764277 750049079 /nfs/dbraw/zinc/04/90/79/750049079.db2.gz ZVQMCEWPEVIWRB-CYBMUJFWSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000996764277 750049085 /nfs/dbraw/zinc/04/90/85/750049085.db2.gz ZVQMCEWPEVIWRB-CYBMUJFWSA-N 2 2 300.406 1.037 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039463861 762054907 /nfs/dbraw/zinc/05/49/07/762054907.db2.gz JMMBSGCRMSBDEJ-CABCVRRESA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039463861 762054917 /nfs/dbraw/zinc/05/49/17/762054917.db2.gz JMMBSGCRMSBDEJ-CABCVRRESA-N 2 2 302.422 1.902 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665044 752654107 /nfs/dbraw/zinc/65/41/07/752654107.db2.gz XKCZZRQVVOEXFH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665044 752654113 /nfs/dbraw/zinc/65/41/13/752654113.db2.gz XKCZZRQVVOEXFH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008346427 752685356 /nfs/dbraw/zinc/68/53/56/752685356.db2.gz XAOVBZUIPQUCAJ-HOTGVXAUSA-N 2 2 314.433 1.358 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008346427 752685359 /nfs/dbraw/zinc/68/53/59/752685359.db2.gz XAOVBZUIPQUCAJ-HOTGVXAUSA-N 2 2 314.433 1.358 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537643 752981049 /nfs/dbraw/zinc/98/10/49/752981049.db2.gz SRIVYEYSYLHRIF-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014709138 755900946 /nfs/dbraw/zinc/90/09/46/755900946.db2.gz ABALMCPQPCSTTQ-CABCVRRESA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014709138 755900949 /nfs/dbraw/zinc/90/09/49/755900949.db2.gz ABALMCPQPCSTTQ-CABCVRRESA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709138 755900952 /nfs/dbraw/zinc/90/09/52/755900952.db2.gz ABALMCPQPCSTTQ-CABCVRRESA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709138 755900957 /nfs/dbraw/zinc/90/09/57/755900957.db2.gz ABALMCPQPCSTTQ-CABCVRRESA-N 2 2 313.873 1.907 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454345 755932876 /nfs/dbraw/zinc/93/28/76/755932876.db2.gz GZPGWPHPBAOBRN-CZUORRHYSA-N 2 2 318.421 1.507 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454345 755932881 /nfs/dbraw/zinc/93/28/81/755932881.db2.gz GZPGWPHPBAOBRN-CZUORRHYSA-N 2 2 318.421 1.507 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001097370453 757115767 /nfs/dbraw/zinc/11/57/67/757115767.db2.gz DNKAVQJGNQWACA-FPCVCCKLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001097370453 757115769 /nfs/dbraw/zinc/11/57/69/757115769.db2.gz DNKAVQJGNQWACA-FPCVCCKLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001016694211 757272633 /nfs/dbraw/zinc/27/26/33/757272633.db2.gz NGVZOPCODDROBF-HOCLYGCPSA-N 2 2 314.433 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395012 757552239 /nfs/dbraw/zinc/55/22/39/757552239.db2.gz ATKRMWAOCBFWEX-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395012 757552242 /nfs/dbraw/zinc/55/22/42/757552242.db2.gz ATKRMWAOCBFWEX-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395012 757552256 /nfs/dbraw/zinc/55/22/56/757552256.db2.gz ATKRMWAOCBFWEX-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395012 757552271 /nfs/dbraw/zinc/55/22/71/757552271.db2.gz ATKRMWAOCBFWEX-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629361 757722408 /nfs/dbraw/zinc/72/24/08/757722408.db2.gz SEFDOQPQROCSJC-HUUCEWRRSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629361 757722413 /nfs/dbraw/zinc/72/24/13/757722413.db2.gz SEFDOQPQROCSJC-HUUCEWRRSA-N 2 2 311.857 1.613 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053163 758180219 /nfs/dbraw/zinc/18/02/19/758180219.db2.gz HFFMHIOYWVNPIR-INMHGKMJSA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053163 758180222 /nfs/dbraw/zinc/18/02/22/758180222.db2.gz HFFMHIOYWVNPIR-INMHGKMJSA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053163 758180226 /nfs/dbraw/zinc/18/02/26/758180226.db2.gz HFFMHIOYWVNPIR-INMHGKMJSA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053163 758180230 /nfs/dbraw/zinc/18/02/30/758180230.db2.gz HFFMHIOYWVNPIR-INMHGKMJSA-N 2 2 314.433 1.534 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001053342771 758388753 /nfs/dbraw/zinc/38/87/53/758388753.db2.gz NBPUMGIZKHJVEM-UHFFFAOYSA-N 2 2 318.421 1.071 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053846353 758877360 /nfs/dbraw/zinc/87/73/60/758877360.db2.gz CBQHMCYJGGUYMH-HUUCEWRRSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053846353 758877373 /nfs/dbraw/zinc/87/73/73/758877373.db2.gz CBQHMCYJGGUYMH-HUUCEWRRSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040773198 762676048 /nfs/dbraw/zinc/67/60/48/762676048.db2.gz NPDNKOQYFDUBCP-UHFFFAOYSA-N 2 2 322.412 1.896 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095933323 759094400 /nfs/dbraw/zinc/09/44/00/759094400.db2.gz YWTGAHALTXJDOD-ILXRZTDVSA-N 2 2 303.406 1.862 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095933323 759094408 /nfs/dbraw/zinc/09/44/08/759094408.db2.gz YWTGAHALTXJDOD-ILXRZTDVSA-N 2 2 303.406 1.862 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622853 759866032 /nfs/dbraw/zinc/86/60/32/759866032.db2.gz FYNPQTVDMQRASI-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622853 759866041 /nfs/dbraw/zinc/86/60/41/759866041.db2.gz FYNPQTVDMQRASI-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717242 760097911 /nfs/dbraw/zinc/09/79/11/760097911.db2.gz HYCFZMRUIIWQRN-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717242 760097922 /nfs/dbraw/zinc/09/79/22/760097922.db2.gz HYCFZMRUIIWQRN-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038867046 761491692 /nfs/dbraw/zinc/49/16/92/761491692.db2.gz ROSRVRMWNGLVPM-HNNXBMFYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001038867046 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C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086806557 771792325 /nfs/dbraw/zinc/79/23/25/771792325.db2.gz AKOJJEAEUHTZTD-ZJIFWQFVSA-N 2 2 316.449 1.974 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614994 773191483 /nfs/dbraw/zinc/19/14/83/773191483.db2.gz MGIPJGDNPGCKDT-AWEZNQCLSA-N 2 2 313.405 1.941 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755013 773632217 /nfs/dbraw/zinc/63/22/17/773632217.db2.gz CNGOHEOBFHNKKQ-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755013 773632221 /nfs/dbraw/zinc/63/22/21/773632221.db2.gz CNGOHEOBFHNKKQ-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091755013 773632224 /nfs/dbraw/zinc/63/22/24/773632224.db2.gz CNGOHEOBFHNKKQ-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091755013 773632227 /nfs/dbraw/zinc/63/22/27/773632227.db2.gz CNGOHEOBFHNKKQ-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952167 773741074 /nfs/dbraw/zinc/74/10/74/773741074.db2.gz BMYTWHBNHMRRFY-HNNXBMFYSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795217 773808944 /nfs/dbraw/zinc/80/89/44/773808944.db2.gz NZSXQIXECJKPID-DAYGRLMNSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795217 773808948 /nfs/dbraw/zinc/80/89/48/773808948.db2.gz NZSXQIXECJKPID-DAYGRLMNSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091898223 773871291 /nfs/dbraw/zinc/87/12/91/773871291.db2.gz MCBWAUFFYJDOPO-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091898223 773871296 /nfs/dbraw/zinc/87/12/96/773871296.db2.gz MCBWAUFFYJDOPO-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408050 773903068 /nfs/dbraw/zinc/90/30/68/773903068.db2.gz PFUSMCURXLIXFX-HZPDHXFCSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408050 773903070 /nfs/dbraw/zinc/90/30/70/773903070.db2.gz PFUSMCURXLIXFX-HZPDHXFCSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056919 773930602 /nfs/dbraw/zinc/93/06/02/773930602.db2.gz LWIIKLLYIAXPNX-UXLLHSPISA-N 2 2 302.422 1.801 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056919 773930606 /nfs/dbraw/zinc/93/06/06/773930606.db2.gz LWIIKLLYIAXPNX-UXLLHSPISA-N 2 2 302.422 1.801 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771920 774562594 /nfs/dbraw/zinc/56/25/94/774562594.db2.gz ORULIWOUFURKQO-HOTGVXAUSA-N 2 2 322.412 1.894 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771920 774562598 /nfs/dbraw/zinc/56/25/98/774562598.db2.gz ORULIWOUFURKQO-HOTGVXAUSA-N 2 2 322.412 1.894 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771922 774563113 /nfs/dbraw/zinc/56/31/13/774563113.db2.gz ORULIWOUFURKQO-JKSUJKDBSA-N 2 2 322.412 1.894 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771922 774563117 /nfs/dbraw/zinc/56/31/17/774563117.db2.gz ORULIWOUFURKQO-JKSUJKDBSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869699 775005376 /nfs/dbraw/zinc/00/53/76/775005376.db2.gz IYZUENCHJSAGEA-CABCVRRESA-N 2 2 314.433 1.633 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869699 775005383 /nfs/dbraw/zinc/00/53/83/775005383.db2.gz IYZUENCHJSAGEA-CABCVRRESA-N 2 2 314.433 1.633 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018163 775576438 /nfs/dbraw/zinc/57/64/38/775576438.db2.gz POYPQDPTRDKMDV-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018163 775576447 /nfs/dbraw/zinc/57/64/47/775576447.db2.gz POYPQDPTRDKMDV-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001100457093 776181778 /nfs/dbraw/zinc/18/17/78/776181778.db2.gz PADUYFAOGAFKJZ-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604505 776365912 /nfs/dbraw/zinc/36/59/12/776365912.db2.gz IEVUDJMIOASUPJ-UKRRQHHQSA-N 2 2 316.449 1.721 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604505 776365922 /nfs/dbraw/zinc/36/59/22/776365922.db2.gz IEVUDJMIOASUPJ-UKRRQHHQSA-N 2 2 316.449 1.721 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001094935454 776861854 /nfs/dbraw/zinc/86/18/54/776861854.db2.gz VYKQMRLKUMUGLN-IMJJTQAJSA-N 2 2 302.422 1.888 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001094935454 776861857 /nfs/dbraw/zinc/86/18/57/776861857.db2.gz VYKQMRLKUMUGLN-IMJJTQAJSA-N 2 2 302.422 1.888 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532102 778187712 /nfs/dbraw/zinc/18/77/12/778187712.db2.gz UJQRYJYJSJYUEW-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532102 778187718 /nfs/dbraw/zinc/18/77/18/778187718.db2.gz UJQRYJYJSJYUEW-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613430 778239889 /nfs/dbraw/zinc/23/98/89/778239889.db2.gz BOZNQXOPEYIRCD-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613430 778239892 /nfs/dbraw/zinc/23/98/92/778239892.db2.gz BOZNQXOPEYIRCD-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157877 778466581 /nfs/dbraw/zinc/46/65/81/778466581.db2.gz VUDBTEYCTRJANT-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157877 778466585 /nfs/dbraw/zinc/46/65/85/778466585.db2.gz VUDBTEYCTRJANT-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157877 778466588 /nfs/dbraw/zinc/46/65/88/778466588.db2.gz VUDBTEYCTRJANT-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157877 778466591 /nfs/dbraw/zinc/46/65/91/778466591.db2.gz VUDBTEYCTRJANT-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677168 778992312 /nfs/dbraw/zinc/99/23/12/778992312.db2.gz NVHUIXVBIBXJAJ-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677168 778992317 /nfs/dbraw/zinc/99/23/17/778992317.db2.gz NVHUIXVBIBXJAJ-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178865664 779203854 /nfs/dbraw/zinc/20/38/54/779203854.db2.gz QPPGCSRPTMXPTQ-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469391 836310300 /nfs/dbraw/zinc/31/03/00/836310300.db2.gz KQRXAACCHDIJIN-OAHLLOKOSA-N 2 2 320.437 1.325 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469391 836310313 /nfs/dbraw/zinc/31/03/13/836310313.db2.gz KQRXAACCHDIJIN-OAHLLOKOSA-N 2 2 320.437 1.325 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268735661 840739253 /nfs/dbraw/zinc/73/92/53/840739253.db2.gz MRINGNCKCLXXIB-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268735661 840739261 /nfs/dbraw/zinc/73/92/61/840739261.db2.gz MRINGNCKCLXXIB-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268768118 840772094 /nfs/dbraw/zinc/77/20/94/840772094.db2.gz VJXRBZFQGHYPOR-ZBFHGGJFSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268768118 840772100 /nfs/dbraw/zinc/77/21/00/840772100.db2.gz VJXRBZFQGHYPOR-ZBFHGGJFSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001268776569 840784159 /nfs/dbraw/zinc/78/41/59/840784159.db2.gz PRMSIYJBZFHRHX-GOEBONIOSA-N 2 2 304.438 1.803 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269084876 841183928 /nfs/dbraw/zinc/18/39/28/841183928.db2.gz OAJOPMHIVMMATO-HZPDHXFCSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269084922 841184167 /nfs/dbraw/zinc/18/41/67/841184167.db2.gz OZSPPQIOJAOJFB-RDJZCZTQSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001270415579 842562344 /nfs/dbraw/zinc/56/23/44/842562344.db2.gz UXCXOQUKHMLEMP-OAHLLOKOSA-N 2 2 310.401 1.846 20 30 DDEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270599549 842702205 /nfs/dbraw/zinc/70/22/05/842702205.db2.gz IQGRKMOAGXIPID-NVXWUHKLSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001270599549 842702211 /nfs/dbraw/zinc/70/22/11/842702211.db2.gz IQGRKMOAGXIPID-NVXWUHKLSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001271021577 843141179 /nfs/dbraw/zinc/14/11/79/843141179.db2.gz PLGYIURZWOIAOA-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272223055 844769073 /nfs/dbraw/zinc/76/90/73/844769073.db2.gz CHGHMXABCIYMEV-HOCLYGCPSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272223055 844769079 /nfs/dbraw/zinc/76/90/79/844769079.db2.gz CHGHMXABCIYMEV-HOCLYGCPSA-N 2 2 318.421 1.078 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001326648163 861508971 /nfs/dbraw/zinc/50/89/71/861508971.db2.gz QSJSFRYEHBUYRK-MRXNPFEDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001326648163 861508981 /nfs/dbraw/zinc/50/89/81/861508981.db2.gz QSJSFRYEHBUYRK-MRXNPFEDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631055 861763700 /nfs/dbraw/zinc/76/37/00/861763700.db2.gz FOUYUBVNLWWVBB-HNNXBMFYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631055 861763713 /nfs/dbraw/zinc/76/37/13/861763713.db2.gz FOUYUBVNLWWVBB-HNNXBMFYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654455 861786791 /nfs/dbraw/zinc/78/67/91/861786791.db2.gz YBEXYIBQFPQXMZ-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654455 861786802 /nfs/dbraw/zinc/78/68/02/861786802.db2.gz YBEXYIBQFPQXMZ-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427635 848484021 /nfs/dbraw/zinc/48/40/21/848484021.db2.gz ZBXVAGOEDCTODB-OAHLLOKOSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427635 848484024 /nfs/dbraw/zinc/48/40/24/848484024.db2.gz ZBXVAGOEDCTODB-OAHLLOKOSA-N 2 2 302.422 1.610 20 30 DDEDLP C=CCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273487943 851021720 /nfs/dbraw/zinc/02/17/20/851021720.db2.gz WWJJSYBTQJFWLK-LSDHHAIUSA-N 2 2 301.381 1.089 20 30 DDEDLP C=CCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273487943 851021731 /nfs/dbraw/zinc/02/17/31/851021731.db2.gz WWJJSYBTQJFWLK-LSDHHAIUSA-N 2 2 301.381 1.089 20 30 DDEDLP C#CCCC[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273542673 851079314 /nfs/dbraw/zinc/07/93/14/851079314.db2.gz YBFVAKZWXRFSIM-GOSISDBHSA-N 2 2 314.433 1.754 20 30 DDEDLP C#CCCC[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273542673 851079322 /nfs/dbraw/zinc/07/93/22/851079322.db2.gz YBFVAKZWXRFSIM-GOSISDBHSA-N 2 2 314.433 1.754 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275003739 852742441 /nfs/dbraw/zinc/74/24/41/852742441.db2.gz BXKRYLYWOBBQSR-INIZCTEOSA-N 2 2 314.433 1.366 20 30 DDEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC001275968749 854039721 /nfs/dbraw/zinc/03/97/21/854039721.db2.gz KZSUFQZFCJZLTO-ROUUACIJSA-N 2 2 314.433 1.005 20 30 DDEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC001275968749 854039724 /nfs/dbraw/zinc/03/97/24/854039724.db2.gz KZSUFQZFCJZLTO-ROUUACIJSA-N 2 2 314.433 1.005 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001276208330 854973342 /nfs/dbraw/zinc/97/33/42/854973342.db2.gz LOJHSYCFRBYXSR-UHFFFAOYSA-N 2 2 315.417 1.675 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001276243077 855035888 /nfs/dbraw/zinc/03/58/88/855035888.db2.gz XNTIGNKOVGHWFH-UHFFFAOYSA-N 2 2 302.397 1.377 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994671 857979134 /nfs/dbraw/zinc/97/91/34/857979134.db2.gz MGBRGNNBRNBGQN-HUUCEWRRSA-N 2 2 314.433 1.634 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994671 857979140 /nfs/dbraw/zinc/97/91/40/857979140.db2.gz MGBRGNNBRNBGQN-HUUCEWRRSA-N 2 2 314.433 1.634 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151619 858142351 /nfs/dbraw/zinc/14/23/51/858142351.db2.gz VIEIKIRZXPYYMC-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151619 858142353 /nfs/dbraw/zinc/14/23/53/858142353.db2.gz VIEIKIRZXPYYMC-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158149113 864457288 /nfs/dbraw/zinc/45/72/88/864457288.db2.gz VCTHBNMLGHHFMM-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158149113 864457297 /nfs/dbraw/zinc/45/72/97/864457297.db2.gz VCTHBNMLGHHFMM-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158950087 864990993 /nfs/dbraw/zinc/99/09/93/864990993.db2.gz ZOUVROHYIHAJCJ-QGZVFWFLSA-N 2 2 316.449 2.000 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158950087 864990998 /nfs/dbraw/zinc/99/09/98/864990998.db2.gz ZOUVROHYIHAJCJ-QGZVFWFLSA-N 2 2 316.449 2.000 20 30 DDEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160739836 866090526 /nfs/dbraw/zinc/09/05/26/866090526.db2.gz XXHKBNWHQRQSSH-KGLIPLIRSA-N 2 2 306.797 1.271 20 30 DDEDLP CC#CC[N@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001320009228 866427385 /nfs/dbraw/zinc/42/73/85/866427385.db2.gz GRAOWTMBIADQQC-INIZCTEOSA-N 2 2 304.438 1.884 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001320009228 866427395 /nfs/dbraw/zinc/42/73/95/866427395.db2.gz GRAOWTMBIADQQC-INIZCTEOSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001324481707 867305091 /nfs/dbraw/zinc/30/50/91/867305091.db2.gz HQXWXUNUBMPJAU-RDJZCZTQSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)(COC)CC1 ZINC001162384592 867503853 /nfs/dbraw/zinc/50/38/53/867503853.db2.gz ZFYPISVMHYNVQW-UHFFFAOYSA-N 2 2 320.437 1.304 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001325029360 867708844 /nfs/dbraw/zinc/70/88/44/867708844.db2.gz UEMJQGHCIVPPLE-CQSZACIVSA-N 2 2 320.437 1.419 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001325029360 867708852 /nfs/dbraw/zinc/70/88/52/867708852.db2.gz UEMJQGHCIVPPLE-CQSZACIVSA-N 2 2 320.437 1.419 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325429864 868024675 /nfs/dbraw/zinc/02/46/75/868024675.db2.gz VJAQFWRUTIMTTO-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317001825 870107450 /nfs/dbraw/zinc/10/74/50/870107450.db2.gz MZNZUPVWCSFNRA-DZGCQCFKSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317001825 870107459 /nfs/dbraw/zinc/10/74/59/870107459.db2.gz MZNZUPVWCSFNRA-DZGCQCFKSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001339206264 870403470 /nfs/dbraw/zinc/40/34/70/870403470.db2.gz QVISYJGBEZDDKL-OAHLLOKOSA-N 2 2 318.469 1.590 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001339206264 870403478 /nfs/dbraw/zinc/40/34/78/870403478.db2.gz QVISYJGBEZDDKL-OAHLLOKOSA-N 2 2 318.469 1.590 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317325591 870647063 /nfs/dbraw/zinc/64/70/63/870647063.db2.gz HHOFKROJQDJOED-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816393 870776329 /nfs/dbraw/zinc/77/63/29/870776329.db2.gz WGQWOGJUHPSDSX-CABCVRRESA-N 2 2 302.422 1.866 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556436 871626294 /nfs/dbraw/zinc/62/62/94/871626294.db2.gz SBFVLYUPGCTHMI-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001318700819 872215018 /nfs/dbraw/zinc/21/50/18/872215018.db2.gz GJZIMJXHJDPIRT-KSSFIOAISA-N 2 2 314.433 1.343 20 30 DDEDLP C#CCC[NH+]1CCC(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001319029218 872404825 /nfs/dbraw/zinc/40/48/25/872404825.db2.gz BMECCFYEVWDMFV-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CCCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001319407970 872615607 /nfs/dbraw/zinc/61/56/07/872615607.db2.gz RJHUEXFBVDTDLF-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208440005 874144114 /nfs/dbraw/zinc/14/41/14/874144114.db2.gz XFGPVNVGRPIAFA-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001357516103 880019892 /nfs/dbraw/zinc/01/98/92/880019892.db2.gz GAWJSFFESCALGW-CQSZACIVSA-N 2 2 318.421 1.849 20 30 DDEDLP C=CCOc1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507318 880524139 /nfs/dbraw/zinc/52/41/39/880524139.db2.gz RMFHNDFLJCBTBA-ROUUACIJSA-N 2 2 301.434 1.777 20 30 DDEDLP C=CCOc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507318 880524147 /nfs/dbraw/zinc/52/41/47/880524147.db2.gz RMFHNDFLJCBTBA-ROUUACIJSA-N 2 2 301.434 1.777 20 30 DDEDLP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276887110 880945213 /nfs/dbraw/zinc/94/52/13/880945213.db2.gz UNYBAODCTNZBTP-UHFFFAOYSA-N 2 2 318.421 1.010 20 30 DDEDLP C=CCOCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276887110 880945217 /nfs/dbraw/zinc/94/52/17/880945217.db2.gz UNYBAODCTNZBTP-UHFFFAOYSA-N 2 2 318.421 1.010 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227681007 883126933 /nfs/dbraw/zinc/12/69/33/883126933.db2.gz OKERQOXMZWXPJB-HUUCEWRRSA-N 2 2 304.438 1.946 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001374391863 912704583 /nfs/dbraw/zinc/70/45/83/912704583.db2.gz APKNASZUXOISDG-SWLSCSKDSA-N 2 2 324.856 1.932 20 30 DDEDLP C=CC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232365259 886305786 /nfs/dbraw/zinc/30/57/86/886305786.db2.gz NTTAPAWXKSNELD-UHFFFAOYSA-N 2 2 315.465 1.137 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001277681224 886470840 /nfs/dbraw/zinc/47/08/40/886470840.db2.gz AHBHTFSNVUSERL-HZPDHXFCSA-N 2 2 323.481 1.452 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346498 887890083 /nfs/dbraw/zinc/89/00/83/887890083.db2.gz WLHJWLHKHAGUPZ-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346498 887890094 /nfs/dbraw/zinc/89/00/94/887890094.db2.gz WLHJWLHKHAGUPZ-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278513300 893832922 /nfs/dbraw/zinc/83/29/22/893832922.db2.gz ZMMGDQADUWENCH-QGZVFWFLSA-N 2 2 303.406 1.647 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001252559454 895282636 /nfs/dbraw/zinc/28/26/36/895282636.db2.gz XHSTVWMHUXYOLR-QGZVFWFLSA-N 2 2 317.437 1.136 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366990463 895506330 /nfs/dbraw/zinc/50/63/30/895506330.db2.gz GXPROXLSFZCAIG-HNNXBMFYSA-N 2 2 313.873 1.907 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001279005583 897795509 /nfs/dbraw/zinc/79/55/09/897795509.db2.gz CNFGGGXANXWANP-CABCVRRESA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001263908121 900812560 /nfs/dbraw/zinc/81/25/60/900812560.db2.gz YIHXETSCMHVEQS-HRCADAONSA-N 2 2 314.433 1.343 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264751739 901333758 /nfs/dbraw/zinc/33/37/58/901333758.db2.gz NTEXDHHXBYFWOP-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264751739 901333766 /nfs/dbraw/zinc/33/37/66/901333766.db2.gz NTEXDHHXBYFWOP-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264751739 901333774 /nfs/dbraw/zinc/33/37/74/901333774.db2.gz NTEXDHHXBYFWOP-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264751739 901333782 /nfs/dbraw/zinc/33/37/82/901333782.db2.gz NTEXDHHXBYFWOP-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266010341 902749648 /nfs/dbraw/zinc/74/96/48/902749648.db2.gz HIDDKWFXCWPBRK-HOCLYGCPSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263735 903569228 /nfs/dbraw/zinc/56/92/28/903569228.db2.gz LKNRMJKMAIEUQL-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001282644516 905918572 /nfs/dbraw/zinc/91/85/72/905918572.db2.gz ZYRBBGRXYXFAMW-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001283449738 907369160 /nfs/dbraw/zinc/36/91/60/907369160.db2.gz QBAYPKIUYNJADM-JKSUJKDBSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001393883369 908155983 /nfs/dbraw/zinc/15/59/83/908155983.db2.gz JNABWPIGFHLXHI-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001393883369 908155984 /nfs/dbraw/zinc/15/59/84/908155984.db2.gz JNABWPIGFHLXHI-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001283913393 908171198 /nfs/dbraw/zinc/17/11/98/908171198.db2.gz LKDQPQMKEQZVCA-QAPCUYQASA-N 2 2 322.412 1.583 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001373210205 909212498 /nfs/dbraw/zinc/21/24/98/909212498.db2.gz XWBUADMRYDEXDJ-CQSZACIVSA-N 2 2 324.856 1.933 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001373210205 909212512 /nfs/dbraw/zinc/21/25/12/909212512.db2.gz XWBUADMRYDEXDJ-CQSZACIVSA-N 2 2 324.856 1.933 20 30 DDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001284685849 909353518 /nfs/dbraw/zinc/35/35/18/909353518.db2.gz ALSAXAVUEQVHBA-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001284685849 909353534 /nfs/dbraw/zinc/35/35/34/909353534.db2.gz ALSAXAVUEQVHBA-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001284731844 909414819 /nfs/dbraw/zinc/41/48/19/909414819.db2.gz QWFMETRMTURPDG-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375359244 915709674 /nfs/dbraw/zinc/70/96/74/915709674.db2.gz BDNPMMPHJAZEEK-DOMZBBRYSA-N 2 2 320.462 1.650 20 30 DDEDLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375359244 915709681 /nfs/dbraw/zinc/70/96/81/915709681.db2.gz BDNPMMPHJAZEEK-DOMZBBRYSA-N 2 2 320.462 1.650 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001376269626 918115266 /nfs/dbraw/zinc/11/52/66/918115266.db2.gz NCRFFJOOYLTHPG-KRWDZBQOSA-N 2 2 323.400 1.439 20 30 DDEDLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329408902 539304267 /nfs/dbraw/zinc/30/42/67/539304267.db2.gz DKQXRKQIHIRUBH-AWEZNQCLSA-N 2 2 305.426 1.877 20 30 DDEDLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329408902 539304268 /nfs/dbraw/zinc/30/42/68/539304268.db2.gz DKQXRKQIHIRUBH-AWEZNQCLSA-N 2 2 305.426 1.877 20 30 DDEDLP C=CCCOCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796826 352572537 /nfs/dbraw/zinc/57/25/37/352572537.db2.gz CLFJPBVSNWIQIJ-UHFFFAOYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000066942709 353027409 /nfs/dbraw/zinc/02/74/09/353027409.db2.gz ICJMDXFTBHDIOC-HNNXBMFYSA-N 2 2 311.470 1.452 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000066942709 353027410 /nfs/dbraw/zinc/02/74/10/353027410.db2.gz ICJMDXFTBHDIOC-HNNXBMFYSA-N 2 2 311.470 1.452 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2sccc2C)CC1 ZINC000081645690 353685497 /nfs/dbraw/zinc/68/54/97/353685497.db2.gz CYNCWBIHKOOBBO-UHFFFAOYSA-N 2 2 305.447 1.266 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2sccc2C)CC1 ZINC000081645690 353685499 /nfs/dbraw/zinc/68/54/99/353685499.db2.gz CYNCWBIHKOOBBO-UHFFFAOYSA-N 2 2 305.447 1.266 20 30 DDEDLP N#CCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000580029217 354725777 /nfs/dbraw/zinc/72/57/77/354725777.db2.gz KQMNCQBFGNNFDL-UHFFFAOYSA-N 2 2 301.394 1.039 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000594441207 356216217 /nfs/dbraw/zinc/21/62/17/356216217.db2.gz ORKLRPGUUXNCLD-OAHLLOKOSA-N 2 2 315.421 1.709 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505687 356522581 /nfs/dbraw/zinc/52/25/81/356522581.db2.gz XDHGHJOTSILWAQ-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505687 356522586 /nfs/dbraw/zinc/52/25/86/356522586.db2.gz XDHGHJOTSILWAQ-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505687 356522590 /nfs/dbraw/zinc/52/25/90/356522590.db2.gz XDHGHJOTSILWAQ-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505687 356522593 /nfs/dbraw/zinc/52/25/93/356522593.db2.gz XDHGHJOTSILWAQ-NVXWUHKLSA-N 2 2 306.454 1.412 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000595905309 356699674 /nfs/dbraw/zinc/69/96/74/356699674.db2.gz BCXUDCMAWHNWQP-QGZVFWFLSA-N 2 2 317.433 1.980 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000595905309 356699676 /nfs/dbraw/zinc/69/96/76/356699676.db2.gz BCXUDCMAWHNWQP-QGZVFWFLSA-N 2 2 317.433 1.980 20 30 DDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600720927 358295183 /nfs/dbraw/zinc/29/51/83/358295183.db2.gz JBBSXGYHPUVKMB-CQSZACIVSA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338365291 296127693 /nfs/dbraw/zinc/12/76/93/296127693.db2.gz MEJSJCSZJURXJE-BASYENTBSA-N 2 2 317.433 1.679 20 30 DDEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338365291 296127695 /nfs/dbraw/zinc/12/76/95/296127695.db2.gz MEJSJCSZJURXJE-BASYENTBSA-N 2 2 317.433 1.679 20 30 DDEDLP C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)C[NH+]1CCOCC1 ZINC000120325044 195143316 /nfs/dbraw/zinc/14/33/16/195143316.db2.gz IGPZACRJAZREQP-AWEZNQCLSA-N 2 2 313.405 1.264 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000101600763 407312730 /nfs/dbraw/zinc/31/27/30/407312730.db2.gz BXCHXHOFGRKIRN-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000101600763 407312731 /nfs/dbraw/zinc/31/27/31/407312731.db2.gz BXCHXHOFGRKIRN-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP Cc1cc(C#N)ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000128167672 407505198 /nfs/dbraw/zinc/50/51/98/407505198.db2.gz KOQQZJFKQJSXKR-UHFFFAOYSA-N 2 2 314.433 1.623 20 30 DDEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036035 407950113 /nfs/dbraw/zinc/95/01/13/407950113.db2.gz UJIWZEZNDHNIOW-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841673 407953889 /nfs/dbraw/zinc/95/38/89/407953889.db2.gz GSZXLHLUCISKOE-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841673 407953891 /nfs/dbraw/zinc/95/38/91/407953891.db2.gz GSZXLHLUCISKOE-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841673 407953896 /nfs/dbraw/zinc/95/38/96/407953896.db2.gz GSZXLHLUCISKOE-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841673 407953899 /nfs/dbraw/zinc/95/38/99/407953899.db2.gz GSZXLHLUCISKOE-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C=C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264445836 408493447 /nfs/dbraw/zinc/49/34/47/408493447.db2.gz GXLFBBKJOXPYOU-UHFFFAOYSA-N 2 2 313.445 1.983 20 30 DDEDLP C=CCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276452260 408860911 /nfs/dbraw/zinc/86/09/11/408860911.db2.gz PRWLYAJRIAKKRL-UHFFFAOYSA-N 2 2 302.422 1.628 20 30 DDEDLP C=CCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276452260 408860913 /nfs/dbraw/zinc/86/09/13/408860913.db2.gz PRWLYAJRIAKKRL-UHFFFAOYSA-N 2 2 302.422 1.628 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000303906322 409556068 /nfs/dbraw/zinc/55/60/68/409556068.db2.gz ZVZVKRACKQIVPK-OAHLLOKOSA-N 2 2 314.499 1.145 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331537030 409615144 /nfs/dbraw/zinc/61/51/44/409615144.db2.gz DSHLCKZLAHBMNB-DLBZAZTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331537030 409615149 /nfs/dbraw/zinc/61/51/49/409615149.db2.gz DSHLCKZLAHBMNB-DLBZAZTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331537030 409615154 /nfs/dbraw/zinc/61/51/54/409615154.db2.gz DSHLCKZLAHBMNB-DLBZAZTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331537030 409615157 /nfs/dbraw/zinc/61/51/57/409615157.db2.gz DSHLCKZLAHBMNB-DLBZAZTESA-N 2 2 306.454 1.459 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328602013 409933087 /nfs/dbraw/zinc/93/30/87/409933087.db2.gz GMFMKMUNLDKFJH-ZNMIVQPWSA-N 2 2 317.437 1.891 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328602013 409933093 /nfs/dbraw/zinc/93/30/93/409933093.db2.gz GMFMKMUNLDKFJH-ZNMIVQPWSA-N 2 2 317.437 1.891 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329159215 410134157 /nfs/dbraw/zinc/13/41/57/410134157.db2.gz XINJIUAATNJIBR-OAHLLOKOSA-N 2 2 307.442 1.852 20 30 DDEDLP C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299276043 410585431 /nfs/dbraw/zinc/58/54/31/410585431.db2.gz MQQPRLBKKZVSPZ-MJGOQNOKSA-N 2 2 323.440 1.334 20 30 DDEDLP C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299276043 410585436 /nfs/dbraw/zinc/58/54/36/410585436.db2.gz MQQPRLBKKZVSPZ-MJGOQNOKSA-N 2 2 323.440 1.334 20 30 DDEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935823 410689213 /nfs/dbraw/zinc/68/92/13/410689213.db2.gz JFFXMZYKBORIQI-AWEZNQCLSA-N 2 2 313.323 1.733 20 30 DDEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935823 410689219 /nfs/dbraw/zinc/68/92/19/410689219.db2.gz JFFXMZYKBORIQI-AWEZNQCLSA-N 2 2 313.323 1.733 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202149 418504616 /nfs/dbraw/zinc/50/46/16/418504616.db2.gz ZQFIVILDAHQXQG-ZDUSSCGKSA-N 2 2 303.410 1.597 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246219791 222221136 /nfs/dbraw/zinc/22/11/36/222221136.db2.gz QINJNALLLXMGOH-CVEARBPZSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246219791 222221139 /nfs/dbraw/zinc/22/11/39/222221139.db2.gz QINJNALLLXMGOH-CVEARBPZSA-N 2 2 306.454 1.412 20 30 DDEDLP C[NH+]=C(NCc1cccn1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261990749 222268188 /nfs/dbraw/zinc/26/81/88/222268188.db2.gz REFJJBKYKCKEQL-HOCLYGCPSA-N 2 2 314.437 1.880 20 30 DDEDLP CN(Cc1ccc(C#N)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377625009 418711505 /nfs/dbraw/zinc/71/15/05/418711505.db2.gz KKILJYRXVUKBQR-OAHLLOKOSA-N 2 2 302.422 1.752 20 30 DDEDLP CN(Cc1ccc(C#N)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377625009 418711508 /nfs/dbraw/zinc/71/15/08/418711508.db2.gz KKILJYRXVUKBQR-OAHLLOKOSA-N 2 2 302.422 1.752 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000376731687 418700239 /nfs/dbraw/zinc/70/02/39/418700239.db2.gz AFXKZPZRSYUGID-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376731687 418700241 /nfs/dbraw/zinc/70/02/41/418700241.db2.gz AFXKZPZRSYUGID-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599378 418735206 /nfs/dbraw/zinc/73/52/06/418735206.db2.gz CYKALFJZYUANSG-BZUAXINKSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599378 418735208 /nfs/dbraw/zinc/73/52/08/418735208.db2.gz CYKALFJZYUANSG-BZUAXINKSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599378 418735210 /nfs/dbraw/zinc/73/52/10/418735210.db2.gz CYKALFJZYUANSG-BZUAXINKSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599378 418735211 /nfs/dbraw/zinc/73/52/11/418735211.db2.gz CYKALFJZYUANSG-BZUAXINKSA-N 2 2 304.438 1.165 20 30 DDEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433321289 229186494 /nfs/dbraw/zinc/18/64/94/229186494.db2.gz VADUTAVXGHYDDP-MRXNPFEDSA-N 2 2 316.449 1.887 20 30 DDEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433321289 229186496 /nfs/dbraw/zinc/18/64/96/229186496.db2.gz VADUTAVXGHYDDP-MRXNPFEDSA-N 2 2 316.449 1.887 20 30 DDEDLP CC(C)[C@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109756 421680240 /nfs/dbraw/zinc/68/02/40/421680240.db2.gz FJKPVNHQSRJTRD-MSOLQXFVSA-N 2 2 324.513 1.539 20 30 DDEDLP CC(C)[C@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109756 421680242 /nfs/dbraw/zinc/68/02/42/421680242.db2.gz FJKPVNHQSRJTRD-MSOLQXFVSA-N 2 2 324.513 1.539 20 30 DDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000573712747 422003951 /nfs/dbraw/zinc/00/39/51/422003951.db2.gz JKRCNBOBPOQZGB-AWEZNQCLSA-N 2 2 315.421 1.291 20 30 DDEDLP CC#CC[NH2+]Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000641028143 423333317 /nfs/dbraw/zinc/33/33/17/423333317.db2.gz AXQVCNOPLAMSHO-UHFFFAOYSA-N 2 2 312.299 1.198 20 30 DDEDLP C=CCCn1cc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)nn1 ZINC000653755028 423596150 /nfs/dbraw/zinc/59/61/50/423596150.db2.gz GMMHJAJVXXHAOZ-UHFFFAOYSA-N 2 2 320.485 1.360 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCC[NH2+]1 ZINC000662793784 424770091 /nfs/dbraw/zinc/77/00/91/424770091.db2.gz IOQDCPYLVWDGCP-QGZVFWFLSA-N 2 2 315.421 1.132 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc12 ZINC000572961737 308229431 /nfs/dbraw/zinc/22/94/31/308229431.db2.gz XACHVJAOUBZFFR-CQSZACIVSA-N 2 2 310.405 1.519 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc12 ZINC000572961737 308229432 /nfs/dbraw/zinc/22/94/32/308229432.db2.gz XACHVJAOUBZFFR-CQSZACIVSA-N 2 2 310.405 1.519 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861956 334341580 /nfs/dbraw/zinc/34/15/80/334341580.db2.gz ZICAGHWBHJKBDI-CQSZACIVSA-N 2 2 315.421 1.718 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000520604642 335994214 /nfs/dbraw/zinc/99/42/14/335994214.db2.gz WLEHLINZFPTOMJ-HOTGVXAUSA-N 2 2 302.422 1.687 20 30 DDEDLP C=CCNC(=O)CN1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000347670599 526537135 /nfs/dbraw/zinc/53/71/35/526537135.db2.gz KZDVETZRXLKTDN-UHFFFAOYSA-N 2 2 316.449 1.242 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000490923259 526949358 /nfs/dbraw/zinc/94/93/58/526949358.db2.gz JQADWSSKZNLHGB-IBGZPJMESA-N 2 2 311.429 1.505 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000491484591 526981735 /nfs/dbraw/zinc/98/17/35/526981735.db2.gz JNVYAXGONYDURC-OAHLLOKOSA-N 2 2 314.433 1.336 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213325 696709720 /nfs/dbraw/zinc/70/97/20/696709720.db2.gz GQWOZMKHTDKVGL-SOUVJXGZSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213325 696709722 /nfs/dbraw/zinc/70/97/22/696709722.db2.gz GQWOZMKHTDKVGL-SOUVJXGZSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274200 696725259 /nfs/dbraw/zinc/72/52/59/696725259.db2.gz MZADIVZKRXCSHS-HRCADAONSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274200 696725260 /nfs/dbraw/zinc/72/52/60/696725260.db2.gz MZADIVZKRXCSHS-HRCADAONSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972026840 695142036 /nfs/dbraw/zinc/14/20/36/695142036.db2.gz NPZTVIDMLAXBAX-QGZVFWFLSA-N 2 2 308.385 1.652 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972026840 695142038 /nfs/dbraw/zinc/14/20/38/695142038.db2.gz NPZTVIDMLAXBAX-QGZVFWFLSA-N 2 2 308.385 1.652 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756087 695727790 /nfs/dbraw/zinc/72/77/90/695727790.db2.gz YOGFJDQFXMLQOI-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756087 695727793 /nfs/dbraw/zinc/72/77/93/695727793.db2.gz YOGFJDQFXMLQOI-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756087 695727794 /nfs/dbraw/zinc/72/77/94/695727794.db2.gz YOGFJDQFXMLQOI-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756087 695727795 /nfs/dbraw/zinc/72/77/95/695727795.db2.gz YOGFJDQFXMLQOI-XJKSGUPXSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473505 696179119 /nfs/dbraw/zinc/17/91/19/696179119.db2.gz XNHUYAHHFUBQJL-KBPBESRZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473505 696179120 /nfs/dbraw/zinc/17/91/20/696179120.db2.gz XNHUYAHHFUBQJL-KBPBESRZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473505 696179121 /nfs/dbraw/zinc/17/91/21/696179121.db2.gz XNHUYAHHFUBQJL-KBPBESRZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473505 696179122 /nfs/dbraw/zinc/17/91/22/696179122.db2.gz XNHUYAHHFUBQJL-KBPBESRZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(C)CNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050254810 696229903 /nfs/dbraw/zinc/22/99/03/696229903.db2.gz YDCHFWNTFBMOKM-UHFFFAOYSA-N 2 2 310.511 1.585 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978707536 696443597 /nfs/dbraw/zinc/44/35/97/696443597.db2.gz HBVDALFZXWAVNC-QCODTGAPSA-N 2 2 314.433 1.394 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978707536 696443601 /nfs/dbraw/zinc/44/36/01/696443601.db2.gz HBVDALFZXWAVNC-QCODTGAPSA-N 2 2 314.433 1.394 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933287 696974352 /nfs/dbraw/zinc/97/43/52/696974352.db2.gz LFBFFXQVYHGLSM-CQSZACIVSA-N 2 2 302.422 1.940 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933287 696974353 /nfs/dbraw/zinc/97/43/53/696974353.db2.gz LFBFFXQVYHGLSM-CQSZACIVSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000776216196 698081882 /nfs/dbraw/zinc/08/18/82/698081882.db2.gz PANJMWBYZSPTNC-ARFHVFGLSA-N 2 2 321.490 1.122 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000776216196 698081887 /nfs/dbraw/zinc/08/18/87/698081887.db2.gz PANJMWBYZSPTNC-ARFHVFGLSA-N 2 2 321.490 1.122 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565179 698152302 /nfs/dbraw/zinc/15/23/02/698152302.db2.gz DMQXUXYTRGMUME-UKRRQHHQSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565179 698152305 /nfs/dbraw/zinc/15/23/05/698152305.db2.gz DMQXUXYTRGMUME-UKRRQHHQSA-N 2 2 317.458 1.318 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305213906 698641681 /nfs/dbraw/zinc/64/16/81/698641681.db2.gz QOJJSFLETKEXFT-OAHLLOKOSA-N 2 2 317.433 1.866 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305213906 698641684 /nfs/dbraw/zinc/64/16/84/698641684.db2.gz QOJJSFLETKEXFT-OAHLLOKOSA-N 2 2 317.433 1.866 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989493696 698643553 /nfs/dbraw/zinc/64/35/53/698643553.db2.gz VNHCFXZVINTISN-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(C#N)CC3)C2)CC1 ZINC000734284674 699646090 /nfs/dbraw/zinc/64/60/90/699646090.db2.gz YVUVERMBLQAJEX-HNNXBMFYSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(C#N)CC3)C2)CC1 ZINC000734284674 699646091 /nfs/dbraw/zinc/64/60/91/699646091.db2.gz YVUVERMBLQAJEX-HNNXBMFYSA-N 2 2 319.453 1.100 20 30 DDEDLP CN(C)c1cc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000867958800 701854838 /nfs/dbraw/zinc/85/48/38/701854838.db2.gz XMXGCPJSRHXQMQ-KRWDZBQOSA-N 2 2 321.384 1.845 20 30 DDEDLP C=CCONC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817786420 702478675 /nfs/dbraw/zinc/47/86/75/702478675.db2.gz XUHHZUXLKBZRSJ-UHFFFAOYSA-N 2 2 310.442 1.306 20 30 DDEDLP C=CCONC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817786420 702478677 /nfs/dbraw/zinc/47/86/77/702478677.db2.gz XUHHZUXLKBZRSJ-UHFFFAOYSA-N 2 2 310.442 1.306 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573065 706723051 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30 DDEDLP Cc1nc(C#N)cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881978256 707451881 /nfs/dbraw/zinc/45/18/81/707451881.db2.gz ZXSGODGCSWYEDJ-ZDUSSCGKSA-N 2 2 300.410 1.237 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000911922585 711070298 /nfs/dbraw/zinc/07/02/98/711070298.db2.gz YVRPNQHHSFKGEX-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000928651346 713251705 /nfs/dbraw/zinc/25/17/05/713251705.db2.gz SMJMXROUFMIWEX-UHFFFAOYSA-N 2 2 316.405 1.098 20 30 DDEDLP C[C@H](CCC#N)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895549970 711539345 /nfs/dbraw/zinc/53/93/45/711539345.db2.gz CTUDKAJRJFEYEL-OAHLLOKOSA-N 2 2 306.454 1.732 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000925080722 714743510 /nfs/dbraw/zinc/74/35/10/714743510.db2.gz OKKCEBRJDULDRY-HOTGVXAUSA-N 2 2 308.470 1.311 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283529 716895548 /nfs/dbraw/zinc/89/55/48/716895548.db2.gz DVVMJAWERYORHQ-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283529 716895551 /nfs/dbraw/zinc/89/55/51/716895551.db2.gz DVVMJAWERYORHQ-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385636 717771990 /nfs/dbraw/zinc/77/19/90/717771990.db2.gz MONPZMZSOGRHHZ-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385636 717771992 /nfs/dbraw/zinc/77/19/92/717771992.db2.gz MONPZMZSOGRHHZ-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489305 718565709 /nfs/dbraw/zinc/56/57/09/718565709.db2.gz JLBZUUUWMFRRFE-ZFWWWQNUSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489305 718565712 /nfs/dbraw/zinc/56/57/12/718565712.db2.gz JLBZUUUWMFRRFE-ZFWWWQNUSA-N 2 2 319.474 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ZINC000968554901 719662575 /nfs/dbraw/zinc/66/25/75/719662575.db2.gz YKJJJMYUUQQSLI-ZBFHGGJFSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554901 719662577 /nfs/dbraw/zinc/66/25/77/719662577.db2.gz YKJJJMYUUQQSLI-ZBFHGGJFSA-N 2 2 314.433 1.611 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948926635 719789480 /nfs/dbraw/zinc/78/94/80/719789480.db2.gz AKKIGMRFEDMTHD-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949217655 719961768 /nfs/dbraw/zinc/96/17/68/719961768.db2.gz PLRIANODIFCAGO-UHFFFAOYSA-N 2 2 318.421 1.222 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000970342869 720720564 /nfs/dbraw/zinc/72/05/64/720720564.db2.gz CMXXJKMCDWAYAH-OAHLLOKOSA-N 2 2 309.373 1.215 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407038 720750224 /nfs/dbraw/zinc/75/02/24/720750224.db2.gz DDVQABMVFGHAAP-GXTWGEPZSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000970815252 720945878 /nfs/dbraw/zinc/94/58/78/720945878.db2.gz CYDAZTKQCXOUJP-CABCVRRESA-N 2 2 322.840 1.627 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167014 732796113 /nfs/dbraw/zinc/79/61/13/732796113.db2.gz BYPGGHVLAFWIIH-ZDUSSCGKSA-N 2 2 300.406 1.339 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700682 733464048 /nfs/dbraw/zinc/46/40/48/733464048.db2.gz RXUPICCXOYNMPZ-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700682 733464052 /nfs/dbraw/zinc/46/40/52/733464052.db2.gz RXUPICCXOYNMPZ-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367455 734388950 /nfs/dbraw/zinc/38/89/50/734388950.db2.gz UHRNGFNEOKTNPW-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022304521 734478765 /nfs/dbraw/zinc/47/87/65/734478765.db2.gz XQLDQXMTBNYCND-RWMBFGLXSA-N 2 2 308.813 1.435 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976448 738896257 /nfs/dbraw/zinc/89/62/57/738896257.db2.gz AOTNUKGRPJNPIU-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976448 738896262 /nfs/dbraw/zinc/89/62/62/738896262.db2.gz AOTNUKGRPJNPIU-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836466 737260954 /nfs/dbraw/zinc/26/09/54/737260954.db2.gz NEYPZZJOEZFFML-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]12 ZINC001026282611 737294883 /nfs/dbraw/zinc/29/48/83/737294883.db2.gz VHWRQFAGUJJANK-BPLDGKMQSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026282611 737294885 /nfs/dbraw/zinc/29/48/85/737294885.db2.gz VHWRQFAGUJJANK-BPLDGKMQSA-N 2 2 322.840 1.921 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC(CC)CC ZINC001038365373 737396317 /nfs/dbraw/zinc/39/63/17/737396317.db2.gz BVVSRIKMDOEOBF-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038365373 737396321 /nfs/dbraw/zinc/39/63/21/737396321.db2.gz BVVSRIKMDOEOBF-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038365373 737396325 /nfs/dbraw/zinc/39/63/25/737396325.db2.gz BVVSRIKMDOEOBF-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038365373 737396328 /nfs/dbraw/zinc/39/63/28/737396328.db2.gz BVVSRIKMDOEOBF-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104967569 737421105 /nfs/dbraw/zinc/42/11/05/737421105.db2.gz WDYWUYDNCALWQN-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219698 741112125 /nfs/dbraw/zinc/11/21/25/741112125.db2.gz QOBWHTHVAFSPOJ-KGLIPLIRSA-N 2 2 308.813 1.416 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219698 741112127 /nfs/dbraw/zinc/11/21/27/741112127.db2.gz QOBWHTHVAFSPOJ-KGLIPLIRSA-N 2 2 308.813 1.416 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001026432736 737542078 /nfs/dbraw/zinc/54/20/78/737542078.db2.gz YOIKTRUJEXTZSI-MGPQQGTHSA-N 2 2 308.813 1.462 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027140684 738077909 /nfs/dbraw/zinc/07/79/09/738077909.db2.gz LGZAHOGODSYJDE-CQSZACIVSA-N 2 2 323.400 1.462 20 30 DDEDLP C=CC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028551930 739655694 /nfs/dbraw/zinc/65/56/94/739655694.db2.gz BQKBPSNJKKXTBW-CZUORRHYSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028551930 739655696 /nfs/dbraw/zinc/65/56/96/739655696.db2.gz BQKBPSNJKKXTBW-CZUORRHYSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551930 739655698 /nfs/dbraw/zinc/65/56/98/739655698.db2.gz BQKBPSNJKKXTBW-CZUORRHYSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551930 739655702 /nfs/dbraw/zinc/65/57/02/739655702.db2.gz BQKBPSNJKKXTBW-CZUORRHYSA-N 2 2 317.437 1.414 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643527 739841389 /nfs/dbraw/zinc/84/13/89/739841389.db2.gz PGXQMVVMRPQKOB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643527 739841394 /nfs/dbraw/zinc/84/13/94/739841394.db2.gz PGXQMVVMRPQKOB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899721 751539105 /nfs/dbraw/zinc/53/91/05/751539105.db2.gz YHSVWMTWKVXXAC-AIANPOQGSA-N 2 2 318.421 1.083 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899721 751539108 /nfs/dbraw/zinc/53/91/08/751539108.db2.gz YHSVWMTWKVXXAC-AIANPOQGSA-N 2 2 318.421 1.083 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001037960825 751595900 /nfs/dbraw/zinc/59/59/00/751595900.db2.gz GUHKLCSOQGLDSK-ZBFHGGJFSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434054 741493017 /nfs/dbraw/zinc/49/30/17/741493017.db2.gz NRWCAXBDJLKMAH-CQSZACIVSA-N 2 2 310.829 1.996 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151339578 743845639 /nfs/dbraw/zinc/84/56/39/743845639.db2.gz HCJZAGUXJXNPHD-UHFFFAOYSA-N 2 2 306.410 1.126 20 30 DDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC001183839476 743916744 /nfs/dbraw/zinc/91/67/44/743916744.db2.gz XHYLYJNWXVBTFD-DLBZAZTESA-N 2 2 312.417 1.391 20 30 DDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC001183839476 743916746 /nfs/dbraw/zinc/91/67/46/743916746.db2.gz XHYLYJNWXVBTFD-DLBZAZTESA-N 2 2 312.417 1.391 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533548 744055264 /nfs/dbraw/zinc/05/52/64/744055264.db2.gz GNYXKLBEPMHQSC-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533548 744055267 /nfs/dbraw/zinc/05/52/67/744055267.db2.gz GNYXKLBEPMHQSC-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030349214 744068500 /nfs/dbraw/zinc/06/85/00/744068500.db2.gz DAYAOEDYMXPARR-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501249 744238104 /nfs/dbraw/zinc/23/81/04/744238104.db2.gz CWPFJJBLKUBTTN-GJZGRUSLSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185503559 744238433 /nfs/dbraw/zinc/23/84/33/744238433.db2.gz QYHWKGYWRGIOQB-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245645 744852897 /nfs/dbraw/zinc/85/28/97/744852897.db2.gz DVZSYKZGAOUKRL-OFQRWUPVSA-N 2 2 302.422 1.840 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245645 744852900 /nfs/dbraw/zinc/85/29/00/744852900.db2.gz DVZSYKZGAOUKRL-OFQRWUPVSA-N 2 2 302.422 1.840 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000992877829 745263709 /nfs/dbraw/zinc/26/37/09/745263709.db2.gz YOAHMIBGLIGNBR-RBSFLKMASA-N 2 2 300.406 1.111 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992924680 745294737 /nfs/dbraw/zinc/29/47/37/745294737.db2.gz NCMLWMVVNYXBBI-SOUVJXGZSA-N 2 2 322.840 1.852 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778132 745888262 /nfs/dbraw/zinc/88/82/62/745888262.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778132 745888268 /nfs/dbraw/zinc/88/82/68/745888268.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778132 745888271 /nfs/dbraw/zinc/88/82/71/745888271.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778132 745888275 /nfs/dbraw/zinc/88/82/75/745888275.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 2 320.437 1.324 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993514814 746209496 /nfs/dbraw/zinc/20/94/96/746209496.db2.gz IOVGNBXDSPMBIP-HIFRSBDPSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C 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C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004455080 748447476 /nfs/dbraw/zinc/44/74/76/748447476.db2.gz CPBORZQZAXZMFL-QGZVFWFLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004455080 748447479 /nfs/dbraw/zinc/44/74/79/748447479.db2.gz CPBORZQZAXZMFL-QGZVFWFLSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201301031 748469323 /nfs/dbraw/zinc/46/93/23/748469323.db2.gz JTXULZRRVGFVND-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300750 748469406 /nfs/dbraw/zinc/46/94/06/748469406.db2.gz DDKDOLJNQMFQPK-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203916 748923238 /nfs/dbraw/zinc/92/32/38/748923238.db2.gz UTLLANCFCQIATO-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203916 748923241 /nfs/dbraw/zinc/92/32/41/748923241.db2.gz UTLLANCFCQIATO-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895393 749650350 /nfs/dbraw/zinc/65/03/50/749650350.db2.gz DGVAAJJELQGAEC-MPTYRVRUSA-N 2 2 312.417 1.063 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895393 749650353 /nfs/dbraw/zinc/65/03/53/749650353.db2.gz DGVAAJJELQGAEC-MPTYRVRUSA-N 2 2 312.417 1.063 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000996623012 749801294 /nfs/dbraw/zinc/80/12/94/749801294.db2.gz UOPMRMJXFBNKQK-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001039396497 761996044 /nfs/dbraw/zinc/99/60/44/761996044.db2.gz TWJWPGOEKAARIZ-INMHGKMJSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001039396497 761996046 /nfs/dbraw/zinc/99/60/46/761996046.db2.gz TWJWPGOEKAARIZ-INMHGKMJSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856801 749997198 /nfs/dbraw/zinc/99/71/98/749997198.db2.gz WTQBDPLPDJJYEY-JKSUJKDBSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856801 749997203 /nfs/dbraw/zinc/99/72/03/749997203.db2.gz WTQBDPLPDJJYEY-JKSUJKDBSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033875910 750010972 /nfs/dbraw/zinc/01/09/72/750010972.db2.gz JQNCGZHZYZPFFW-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033875910 750010980 /nfs/dbraw/zinc/01/09/80/750010980.db2.gz JQNCGZHZYZPFFW-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001111319697 750458539 /nfs/dbraw/zinc/45/85/39/750458539.db2.gz ARSZVFLLGKLWAT-BMFZPTHFSA-N 2 2 318.421 1.185 20 30 DDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001111319697 750458543 /nfs/dbraw/zinc/45/85/43/750458543.db2.gz ARSZVFLLGKLWAT-BMFZPTHFSA-N 2 2 318.421 1.185 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482615 750986639 /nfs/dbraw/zinc/98/66/39/750986639.db2.gz GGHZCHORRYNTRL-PVAVHDDUSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482615 750986642 /nfs/dbraw/zinc/98/66/42/750986642.db2.gz GGHZCHORRYNTRL-PVAVHDDUSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537699 752981474 /nfs/dbraw/zinc/98/14/74/752981474.db2.gz UBZUGCSNWWKPBE-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032728011 753373300 /nfs/dbraw/zinc/37/33/00/753373300.db2.gz JHIMXZRKMKMVFE-HOTGVXAUSA-N 2 2 323.400 1.742 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032728011 753373302 /nfs/dbraw/zinc/37/33/02/753373302.db2.gz JHIMXZRKMKMVFE-HOTGVXAUSA-N 2 2 323.400 1.742 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803124 754114844 /nfs/dbraw/zinc/11/48/44/754114844.db2.gz XJSWRFVTBVEESK-YESZJQIVSA-N 2 2 305.466 1.968 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803124 754114850 /nfs/dbraw/zinc/11/48/50/754114850.db2.gz XJSWRFVTBVEESK-YESZJQIVSA-N 2 2 305.466 1.968 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090355163 755056597 /nfs/dbraw/zinc/05/65/97/755056597.db2.gz OBQMFXSHUXYSMZ-HUUCEWRRSA-N 2 2 320.437 1.054 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090355163 755056602 /nfs/dbraw/zinc/05/66/02/755056602.db2.gz OBQMFXSHUXYSMZ-HUUCEWRRSA-N 2 2 320.437 1.054 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001097248146 757012578 /nfs/dbraw/zinc/01/25/78/757012578.db2.gz RSMDPCVOGGABFL-BDXSIMOUSA-N 2 2 315.461 1.772 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001097248146 757012588 /nfs/dbraw/zinc/01/25/88/757012588.db2.gz RSMDPCVOGGABFL-BDXSIMOUSA-N 2 2 315.461 1.772 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001097248146 757012596 /nfs/dbraw/zinc/01/25/96/757012596.db2.gz RSMDPCVOGGABFL-BDXSIMOUSA-N 2 2 315.461 1.772 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001097248146 757012606 /nfs/dbraw/zinc/01/26/06/757012606.db2.gz RSMDPCVOGGABFL-BDXSIMOUSA-N 2 2 315.461 1.772 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001097257911 757023429 /nfs/dbraw/zinc/02/34/29/757023429.db2.gz LPKMIIMZIOIZNK-PAURTPPISA-N 2 2 300.406 1.811 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001097257911 757023442 /nfs/dbraw/zinc/02/34/42/757023442.db2.gz LPKMIIMZIOIZNK-PAURTPPISA-N 2 2 300.406 1.811 20 30 DDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016951728 757503222 /nfs/dbraw/zinc/50/32/22/757503222.db2.gz SSQKJEQIMUUMMO-OAHLLOKOSA-N 2 2 302.422 1.807 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139720 762583428 /nfs/dbraw/zinc/58/34/28/762583428.db2.gz RJJJQBMUKRPVAN-OAHLLOKOSA-N 2 2 312.417 1.601 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139720 762583433 /nfs/dbraw/zinc/58/34/33/762583433.db2.gz RJJJQBMUKRPVAN-OAHLLOKOSA-N 2 2 312.417 1.601 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017616928 758085426 /nfs/dbraw/zinc/08/54/26/758085426.db2.gz GXDGHYYELHOPMN-QLFBSQMISA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017616928 758085434 /nfs/dbraw/zinc/08/54/34/758085434.db2.gz GXDGHYYELHOPMN-QLFBSQMISA-N 2 2 300.406 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20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766468 838910821 /nfs/dbraw/zinc/91/08/21/838910821.db2.gz JCMADJXWHBGDPI-HZPDHXFCSA-N 2 2 302.422 1.636 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001268119601 839711483 /nfs/dbraw/zinc/71/14/83/839711483.db2.gz RDIAZMRSAXDSER-QGZVFWFLSA-N 2 2 316.449 1.951 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268147703 839755708 /nfs/dbraw/zinc/75/57/08/839755708.db2.gz AKDXBCGFEYWGDA-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268147703 839755715 /nfs/dbraw/zinc/75/57/15/839755715.db2.gz AKDXBCGFEYWGDA-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001268210871 839843588 /nfs/dbraw/zinc/84/35/88/839843588.db2.gz HNVPUTBHTSEVDS-GDBMZVCRSA-N 2 2 304.438 1.752 20 30 DDEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001268212988 839845063 /nfs/dbraw/zinc/84/50/63/839845063.db2.gz XSYDEAZYCJZHPX-CABCVRRESA-N 2 2 302.422 1.199 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001326318019 861277009 /nfs/dbraw/zinc/27/70/09/861277009.db2.gz QNXGZGLQJNDVPT-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001270998676 843120677 /nfs/dbraw/zinc/12/06/77/843120677.db2.gz HJJNSYKSXYMRGD-RDJZCZTQSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001270998676 843120680 /nfs/dbraw/zinc/12/06/80/843120680.db2.gz HJJNSYKSXYMRGD-RDJZCZTQSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001272700069 846657254 /nfs/dbraw/zinc/65/72/54/846657254.db2.gz GUMLZORTUKNMLE-ZDUSSCGKSA-N 2 2 310.401 1.861 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)CC1 ZINC001107801327 847129119 /nfs/dbraw/zinc/12/91/19/847129119.db2.gz GVHDGGUFPLZZTK-CYBMUJFWSA-N 2 2 315.421 1.047 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276380 848230884 /nfs/dbraw/zinc/23/08/84/848230884.db2.gz NZCLTLGFXPLHQV-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276380 848230891 /nfs/dbraw/zinc/23/08/91/848230891.db2.gz NZCLTLGFXPLHQV-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279434 848239613 /nfs/dbraw/zinc/23/96/13/848239613.db2.gz RZMXPLSJHZZDAV-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279434 848239619 /nfs/dbraw/zinc/23/96/19/848239619.db2.gz RZMXPLSJHZZDAV-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001274375446 852204218 /nfs/dbraw/zinc/20/42/18/852204218.db2.gz PVPLZJKTXKZXAQ-HNNXBMFYSA-N 2 2 302.422 1.828 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274810607 852617474 /nfs/dbraw/zinc/61/74/74/852617474.db2.gz OPDBGSIYEDJYQC-GFCCVEGCSA-N 2 2 302.378 1.473 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001328224669 862788361 /nfs/dbraw/zinc/78/83/61/862788361.db2.gz TVTVWUJYOMCVCX-HNNXBMFYSA-N 2 2 320.437 1.181 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001328266081 862843953 /nfs/dbraw/zinc/84/39/53/862843953.db2.gz GPRQYLLFGXTBPW-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001328266081 862843972 /nfs/dbraw/zinc/84/39/72/862843972.db2.gz GPRQYLLFGXTBPW-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049555946 856971750 /nfs/dbraw/zinc/97/17/50/856971750.db2.gz BQWOOSRIVDYZTJ-ARFHVFGLSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049555946 856971758 /nfs/dbraw/zinc/97/17/58/856971758.db2.gz BQWOOSRIVDYZTJ-ARFHVFGLSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001328492167 863005863 /nfs/dbraw/zinc/00/58/63/863005863.db2.gz OHSGIXMCXNJUEU-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001328492167 863005876 /nfs/dbraw/zinc/00/58/76/863005876.db2.gz OHSGIXMCXNJUEU-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001328492167 863005895 /nfs/dbraw/zinc/00/58/95/863005895.db2.gz OHSGIXMCXNJUEU-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP C#C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139323804 860363270 /nfs/dbraw/zinc/36/32/70/860363270.db2.gz SSUHZHKYLYDVLE-AWEZNQCLSA-N 2 2 304.463 1.740 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014066 860594960 /nfs/dbraw/zinc/59/49/60/860594960.db2.gz NOACHKJYZQFTDE-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014066 860594963 /nfs/dbraw/zinc/59/49/63/860594963.db2.gz NOACHKJYZQFTDE-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001329705038 863800154 /nfs/dbraw/zinc/80/01/54/863800154.db2.gz JLJPVUWZIZULPY-INIZCTEOSA-N 2 2 323.481 1.378 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001329705038 863800163 /nfs/dbraw/zinc/80/01/63/863800163.db2.gz JLJPVUWZIZULPY-INIZCTEOSA-N 2 2 323.481 1.378 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329886029 863920395 /nfs/dbraw/zinc/92/03/95/863920395.db2.gz BIYIMMVFKQUEFI-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950373 863968440 /nfs/dbraw/zinc/96/84/40/863968440.db2.gz BKFNPDCVHONMGC-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950373 863968443 /nfs/dbraw/zinc/96/84/43/863968443.db2.gz BKFNPDCVHONMGC-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001331202337 864940457 /nfs/dbraw/zinc/94/04/57/864940457.db2.gz GDUJDTMVZFZFIW-DOTOQJQBSA-N 2 2 316.449 1.589 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332822264 866167693 /nfs/dbraw/zinc/16/76/93/866167693.db2.gz CAWCRKOIKKWHJC-ZBFHGGJFSA-N 2 2 316.449 1.589 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCOCC1 ZINC001325005341 867692094 /nfs/dbraw/zinc/69/20/94/867692094.db2.gz ISKISWWQMYYPKY-UHFFFAOYSA-N 2 2 320.437 1.368 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274842 868298191 /nfs/dbraw/zinc/29/81/91/868298191.db2.gz HYSRVKLWIGZDKB-AWEZNQCLSA-N 2 2 317.861 1.336 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274842 868298207 /nfs/dbraw/zinc/29/82/07/868298207.db2.gz HYSRVKLWIGZDKB-AWEZNQCLSA-N 2 2 317.861 1.336 20 30 DDEDLP C[NH+](C)C1(CNc2nc3ncccc3cc2C#N)CC[NH+](C)CC1 ZINC001164211199 869020060 /nfs/dbraw/zinc/02/00/60/869020060.db2.gz KQPYHHOMXSUXKN-UHFFFAOYSA-N 2 2 324.432 1.939 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165835016 869728750 /nfs/dbraw/zinc/72/87/50/869728750.db2.gz FZDONNBTDPLZTE-AWEZNQCLSA-N 2 2 302.422 1.508 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165856205 869738606 /nfs/dbraw/zinc/73/86/06/869738606.db2.gz FGWUROHKSGVPJW-HNNXBMFYSA-N 2 2 314.433 1.345 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322846 869952488 /nfs/dbraw/zinc/95/24/88/869952488.db2.gz XGSUCBPQZDWYIQ-UHFFFAOYSA-N 2 2 304.438 1.805 20 30 DDEDLP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317869985 871609514 /nfs/dbraw/zinc/60/95/14/871609514.db2.gz KKQAFPUWVJIUSK-HZPDHXFCSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317869985 871609517 /nfs/dbraw/zinc/60/95/17/871609517.db2.gz KKQAFPUWVJIUSK-HZPDHXFCSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317869985 871609523 /nfs/dbraw/zinc/60/95/23/871609523.db2.gz KKQAFPUWVJIUSK-HZPDHXFCSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317869985 871609530 /nfs/dbraw/zinc/60/95/30/871609530.db2.gz KKQAFPUWVJIUSK-HZPDHXFCSA-N 2 2 314.433 1.707 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205538063 871617631 /nfs/dbraw/zinc/61/76/31/871617631.db2.gz ZUBUTDXPSJGYDE-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238097 872153625 /nfs/dbraw/zinc/15/36/25/872153625.db2.gz GGVCNJVOVOKHKW-AWEZNQCLSA-N 2 2 300.406 1.291 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001318700820 872214945 /nfs/dbraw/zinc/21/49/45/872214945.db2.gz GJZIMJXHJDPIRT-RDTXWAMCSA-N 2 2 314.433 1.343 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319321525 872571312 /nfs/dbraw/zinc/57/13/12/872571312.db2.gz DKBCHMHFCPRPAD-OAHLLOKOSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319321525 872571314 /nfs/dbraw/zinc/57/13/14/872571314.db2.gz DKBCHMHFCPRPAD-OAHLLOKOSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321525 872571318 /nfs/dbraw/zinc/57/13/18/872571318.db2.gz DKBCHMHFCPRPAD-OAHLLOKOSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321525 872571320 /nfs/dbraw/zinc/57/13/20/872571320.db2.gz DKBCHMHFCPRPAD-OAHLLOKOSA-N 2 2 311.470 1.357 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451156 874155849 /nfs/dbraw/zinc/15/58/49/874155849.db2.gz SBSGCMUKRNKCEN-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451156 874155853 /nfs/dbraw/zinc/15/58/53/874155853.db2.gz SBSGCMUKRNKCEN-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128210 882858255 /nfs/dbraw/zinc/85/82/55/882858255.db2.gz QGEFQPJEPJAQSY-DJIMGWMZSA-N 2 2 314.433 1.486 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293705 875746366 /nfs/dbraw/zinc/74/63/66/875746366.db2.gz NRKZGGHWVMMLEE-IRXDYDNUSA-N 2 2 316.449 1.841 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293472 875746832 /nfs/dbraw/zinc/74/68/32/875746832.db2.gz IXQPAPOGEXUUSM-SJORKVTESA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089148 880235565 /nfs/dbraw/zinc/23/55/65/880235565.db2.gz AOVOCDUEKHBMQL-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089148 880235575 /nfs/dbraw/zinc/23/55/75/880235575.db2.gz AOVOCDUEKHBMQL-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407810 883485182 /nfs/dbraw/zinc/48/51/82/883485182.db2.gz GKJACLHJPDKVGL-UHFFFAOYSA-N 2 2 320.437 1.136 20 30 DDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC001365617241 891168283 /nfs/dbraw/zinc/16/82/83/891168283.db2.gz RPCAQNSNGXPNRJ-MRXNPFEDSA-N 2 2 307.438 1.540 20 30 DDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146893 892440718 /nfs/dbraw/zinc/44/07/18/892440718.db2.gz OMWFCFKTSULCIH-QAPCUYQASA-N 3 2 312.461 1.953 20 30 DDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151246 892445294 /nfs/dbraw/zinc/44/52/94/892445294.db2.gz WTVCDNIUMCIDER-YJBOKZPZSA-N 3 2 312.461 1.953 20 30 DDEDLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246596839 892723537 /nfs/dbraw/zinc/72/35/37/892723537.db2.gz YUZJTZKKDCPMJS-ZOBUZTSGSA-N 2 2 302.397 1.725 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001252595336 895298790 /nfs/dbraw/zinc/29/87/90/895298790.db2.gz GNESZAPWCXEMOP-ZDUSSCGKSA-N 2 2 302.378 1.605 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001252595336 895298795 /nfs/dbraw/zinc/29/87/95/895298795.db2.gz GNESZAPWCXEMOP-ZDUSSCGKSA-N 2 2 302.378 1.605 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136551 898080248 /nfs/dbraw/zinc/08/02/48/898080248.db2.gz ORRNTERPEJRLCZ-YOEHRIQHSA-N 2 2 317.433 1.519 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001266240967 903175859 /nfs/dbraw/zinc/17/58/59/903175859.db2.gz HOGYVXQSCDAXNV-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001266240967 903175863 /nfs/dbraw/zinc/17/58/63/903175863.db2.gz HOGYVXQSCDAXNV-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001280445480 903687889 /nfs/dbraw/zinc/68/78/89/903687889.db2.gz WKOIYDQKUAUIRH-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001392532205 904380685 /nfs/dbraw/zinc/38/06/85/904380685.db2.gz ZLPCNELEQYVANU-CYBMUJFWSA-N 2 2 311.389 1.358 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282325316 905684869 /nfs/dbraw/zinc/68/48/69/905684869.db2.gz ALTAONRAEXMXEY-HNNXBMFYSA-N 2 2 304.438 1.932 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001393417315 906932034 /nfs/dbraw/zinc/93/20/34/906932034.db2.gz MPNGZOJBCQZXMO-GASCZTMLSA-N 2 2 322.840 1.806 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001393417315 906932049 /nfs/dbraw/zinc/93/20/49/906932049.db2.gz MPNGZOJBCQZXMO-GASCZTMLSA-N 2 2 322.840 1.806 20 30 DDEDLP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001284543942 909167371 /nfs/dbraw/zinc/16/73/71/909167371.db2.gz BDPGQXZRNLKSOY-MRXNPFEDSA-N 2 2 316.449 1.556 20 30 DDEDLP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001284543942 909167377 /nfs/dbraw/zinc/16/73/77/909167377.db2.gz BDPGQXZRNLKSOY-MRXNPFEDSA-N 2 2 316.449 1.556 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000265988340 186350276 /nfs/dbraw/zinc/35/02/76/186350276.db2.gz ILIWJCGLCVPCCV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C ZINC000265988340 186350278 /nfs/dbraw/zinc/35/02/78/186350278.db2.gz ILIWJCGLCVPCCV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988340 186350280 /nfs/dbraw/zinc/35/02/80/186350280.db2.gz ILIWJCGLCVPCCV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988340 186350282 /nfs/dbraw/zinc/35/02/82/186350282.db2.gz ILIWJCGLCVPCCV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000057127253 352799582 /nfs/dbraw/zinc/79/95/82/352799582.db2.gz OJXOWALZGADCPJ-UHFFFAOYSA-N 2 2 312.417 1.075 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000080972705 353641403 /nfs/dbraw/zinc/64/14/03/353641403.db2.gz ZDPBCNNLDXZGIC-AWEZNQCLSA-N 2 2 315.421 1.932 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000080972705 353641407 /nfs/dbraw/zinc/64/14/07/353641407.db2.gz ZDPBCNNLDXZGIC-AWEZNQCLSA-N 2 2 315.421 1.932 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000591847436 355394849 /nfs/dbraw/zinc/39/48/49/355394849.db2.gz UUGYQUGVSFWVKQ-RRFJBIMHSA-N 2 2 319.453 1.146 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000591847436 355394852 /nfs/dbraw/zinc/39/48/52/355394852.db2.gz UUGYQUGVSFWVKQ-RRFJBIMHSA-N 2 2 319.453 1.146 20 30 DDEDLP CN(C(=O)CCCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594289297 356165524 /nfs/dbraw/zinc/16/55/24/356165524.db2.gz OQOSJTMHHVKWIA-MRXNPFEDSA-N 2 2 306.454 1.697 20 30 DDEDLP CN(C(=O)CCCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594289297 356165526 /nfs/dbraw/zinc/16/55/26/356165526.db2.gz OQOSJTMHHVKWIA-MRXNPFEDSA-N 2 2 306.454 1.697 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594917733 356354327 /nfs/dbraw/zinc/35/43/27/356354327.db2.gz MSQPBOHYJNMCNF-UHFFFAOYSA-N 2 2 312.417 1.105 20 30 DDEDLP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccn1 ZINC000595468677 356504936 /nfs/dbraw/zinc/50/49/36/356504936.db2.gz BKUPHZNYSGHKSO-KRWDZBQOSA-N 2 2 300.406 1.640 20 30 DDEDLP N#Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccn1 ZINC000595468677 356504940 /nfs/dbraw/zinc/50/49/40/356504940.db2.gz BKUPHZNYSGHKSO-KRWDZBQOSA-N 2 2 300.406 1.640 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COCC[C@H]3O)CC2)cc1 ZINC000601160550 358427950 /nfs/dbraw/zinc/42/79/50/358427950.db2.gz YVQCDXNGOZRAIA-QZTJIDSGSA-N 2 2 315.417 1.262 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989553 359341803 /nfs/dbraw/zinc/34/18/03/359341803.db2.gz TUXIRUNQFYDYFG-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989553 359341804 /nfs/dbraw/zinc/34/18/04/359341804.db2.gz TUXIRUNQFYDYFG-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](CC2CC2)CC1 ZINC000330183498 223083704 /nfs/dbraw/zinc/08/37/04/223083704.db2.gz PYYZALDHKWLGAX-OAHLLOKOSA-N 2 2 317.437 1.576 20 30 DDEDLP [O-]C(NC1CC[NH+](CC2CC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183498 223083707 /nfs/dbraw/zinc/08/37/07/223083707.db2.gz PYYZALDHKWLGAX-OAHLLOKOSA-N 2 2 317.437 1.576 20 30 DDEDLP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271868232 209280815 /nfs/dbraw/zinc/28/08/15/209280815.db2.gz LZYSGECKXZARQJ-HNNXBMFYSA-N 2 2 324.432 1.792 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123858704 407340998 /nfs/dbraw/zinc/34/09/98/407340998.db2.gz ZJJFIGFBSRPDCF-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C ZINC000123858704 407340999 /nfs/dbraw/zinc/34/09/99/407340999.db2.gz ZJJFIGFBSRPDCF-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858704 407341000 /nfs/dbraw/zinc/34/10/00/407341000.db2.gz ZJJFIGFBSRPDCF-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858704 407341001 /nfs/dbraw/zinc/34/10/01/407341001.db2.gz ZJJFIGFBSRPDCF-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154585 407348338 /nfs/dbraw/zinc/34/83/38/407348338.db2.gz WNMHGVRVZWWVRV-HNNXBMFYSA-N 2 2 304.438 1.590 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154585 407348340 /nfs/dbraw/zinc/34/83/40/407348340.db2.gz WNMHGVRVZWWVRV-HNNXBMFYSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000107370690 407373643 /nfs/dbraw/zinc/37/36/43/407373643.db2.gz RIIYCIOVBXCEPC-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000107370690 407373644 /nfs/dbraw/zinc/37/36/44/407373644.db2.gz RIIYCIOVBXCEPC-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCOCC1 ZINC000170910229 407551048 /nfs/dbraw/zinc/55/10/48/407551048.db2.gz YXPDTBZJOPPIDH-OAHLLOKOSA-N 2 2 319.453 1.945 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NCc1c(C)noc1C ZINC000179023415 407696788 /nfs/dbraw/zinc/69/67/88/407696788.db2.gz XWQLPTTYYQOXES-UHFFFAOYSA-N 2 2 323.441 1.067 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NCc1c(C)noc1C ZINC000179023415 407696793 /nfs/dbraw/zinc/69/67/93/407696793.db2.gz XWQLPTTYYQOXES-UHFFFAOYSA-N 2 2 323.441 1.067 20 30 DDEDLP C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000120865780 408146506 /nfs/dbraw/zinc/14/65/06/408146506.db2.gz SNVUAVCYSNGKTL-UHFFFAOYSA-N 2 2 301.434 1.491 20 30 DDEDLP C=CC[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000120865780 408146512 /nfs/dbraw/zinc/14/65/12/408146512.db2.gz SNVUAVCYSNGKTL-UHFFFAOYSA-N 2 2 301.434 1.491 20 30 DDEDLP N#CCSCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159413129 408405067 /nfs/dbraw/zinc/40/50/67/408405067.db2.gz FAHCIEFJACNPBR-AWEZNQCLSA-N 2 2 310.467 1.047 20 30 DDEDLP N#CCSCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159413129 408405072 /nfs/dbraw/zinc/40/50/72/408405072.db2.gz FAHCIEFJACNPBR-AWEZNQCLSA-N 2 2 310.467 1.047 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CC1 ZINC000178023721 408759014 /nfs/dbraw/zinc/75/90/14/408759014.db2.gz VXBMVCUCFDCWHY-UHFFFAOYSA-N 2 2 321.856 1.529 20 30 DDEDLP Cc1cc(N2CC[NH+](CCOCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000293443122 409113968 /nfs/dbraw/zinc/11/39/68/409113968.db2.gz KAMMELMQIDCNHQ-UHFFFAOYSA-N 2 2 317.437 1.961 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247251700 222227981 /nfs/dbraw/zinc/22/79/81/222227981.db2.gz ZZAAQXUBBYVNDB-HUUCEWRRSA-N 2 2 322.453 1.337 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247251700 222227984 /nfs/dbraw/zinc/22/79/84/222227984.db2.gz ZZAAQXUBBYVNDB-HUUCEWRRSA-N 2 2 322.453 1.337 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264068751 222312835 /nfs/dbraw/zinc/31/28/35/222312835.db2.gz CLZUAWMCAQIINO-CABCVRRESA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264068751 222312838 /nfs/dbraw/zinc/31/28/38/222312838.db2.gz CLZUAWMCAQIINO-CABCVRRESA-N 3 2 323.510 1.739 20 30 DDEDLP CCCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264095012 222317308 /nfs/dbraw/zinc/31/73/08/222317308.db2.gz MHZSLHLYOVRNOB-UHFFFAOYSA-N 2 2 307.417 1.262 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC[NH+]2CCSCC2)cc1OC ZINC000267459887 222385701 /nfs/dbraw/zinc/38/57/01/222385701.db2.gz UREIBARMDXZFNG-UHFFFAOYSA-N 2 2 324.450 1.479 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773106 418714655 /nfs/dbraw/zinc/71/46/55/418714655.db2.gz HKBSXEWPWVRGLL-ROUUACIJSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773106 418714657 /nfs/dbraw/zinc/71/46/57/418714657.db2.gz HKBSXEWPWVRGLL-ROUUACIJSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773106 418714658 /nfs/dbraw/zinc/71/46/58/418714658.db2.gz HKBSXEWPWVRGLL-ROUUACIJSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773106 418714661 /nfs/dbraw/zinc/71/46/61/418714661.db2.gz HKBSXEWPWVRGLL-ROUUACIJSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1=O ZINC000375607666 418661814 /nfs/dbraw/zinc/66/18/14/418661814.db2.gz NLKOAEDTOSKXKJ-NXOAAHMSSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1=O ZINC000375607666 418661817 /nfs/dbraw/zinc/66/18/17/418661817.db2.gz NLKOAEDTOSKXKJ-NXOAAHMSSA-N 2 2 321.465 1.252 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3sccc3C#N)C2)CC1 ZINC000369274435 418730830 /nfs/dbraw/zinc/73/08/30/418730830.db2.gz PEEXUVANJYQMLE-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3sccc3C#N)C2)CC1 ZINC000369274435 418730833 /nfs/dbraw/zinc/73/08/33/418730833.db2.gz PEEXUVANJYQMLE-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363687309 418769144 /nfs/dbraw/zinc/76/91/44/418769144.db2.gz OFPRRMJQLHMHTN-CRAIPNDOSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363687309 418769146 /nfs/dbraw/zinc/76/91/46/418769146.db2.gz OFPRRMJQLHMHTN-CRAIPNDOSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363809864 418770306 /nfs/dbraw/zinc/77/03/06/418770306.db2.gz BZQCUROJQTYJBC-GOEBONIOSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363809864 418770307 /nfs/dbraw/zinc/77/03/07/418770307.db2.gz BZQCUROJQTYJBC-GOEBONIOSA-N 2 2 306.454 1.208 20 30 DDEDLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1c(F)cccc1F ZINC000424144129 228235134 /nfs/dbraw/zinc/23/51/34/228235134.db2.gz KQJWRZANIDLYEC-ZIAGYGMSSA-N 2 2 324.375 1.705 20 30 DDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000442792455 420715486 /nfs/dbraw/zinc/71/54/86/420715486.db2.gz QCXNCXITNJJUIK-DLBZAZTESA-N 3 2 313.449 1.876 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000530230935 421587494 /nfs/dbraw/zinc/58/74/94/421587494.db2.gz DUHCPGBGFYZWSS-XYPHTWIQSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000530230935 421587498 /nfs/dbraw/zinc/58/74/98/421587498.db2.gz DUHCPGBGFYZWSS-XYPHTWIQSA-N 2 2 315.417 1.370 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCOCc1ccc(C#N)cc1 ZINC000572539932 421798393 /nfs/dbraw/zinc/79/83/93/421798393.db2.gz PZEGJOYVNQJQFS-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOCc1ccc(C#N)cc1 ZINC000572539932 421798396 /nfs/dbraw/zinc/79/83/96/421798396.db2.gz PZEGJOYVNQJQFS-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000572539932 421798397 /nfs/dbraw/zinc/79/83/97/421798397.db2.gz PZEGJOYVNQJQFS-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000572539932 421798401 /nfs/dbraw/zinc/79/84/01/421798401.db2.gz PZEGJOYVNQJQFS-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@H+](C)CCC#N)CCCCCC1 ZINC000576958621 422379856 /nfs/dbraw/zinc/37/98/56/422379856.db2.gz HPWICDMIOHGVRE-MRXNPFEDSA-N 2 2 310.486 1.437 20 30 DDEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@@H+](C)CCC#N)CCCCCC1 ZINC000576958621 422379860 /nfs/dbraw/zinc/37/98/60/422379860.db2.gz HPWICDMIOHGVRE-MRXNPFEDSA-N 2 2 310.486 1.437 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COCCO3)CC2)cc1 ZINC000344042887 268066036 /nfs/dbraw/zinc/06/60/36/268066036.db2.gz CPMIUOOOALQPEA-SFHVURJKSA-N 2 2 315.417 1.528 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304154 484795098 /nfs/dbraw/zinc/79/50/98/484795098.db2.gz MOHXBBYXQJBPBS-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424136092 534682217 /nfs/dbraw/zinc/68/22/17/534682217.db2.gz NLKJNRZNUBKBTC-CQSZACIVSA-N 2 2 313.405 1.872 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000490739725 526947497 /nfs/dbraw/zinc/94/74/97/526947497.db2.gz GLXXENIGSLPVHR-QGZVFWFLSA-N 2 2 313.445 1.499 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000490739725 526947501 /nfs/dbraw/zinc/94/75/01/526947501.db2.gz GLXXENIGSLPVHR-QGZVFWFLSA-N 2 2 313.445 1.499 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2SCC)CC1 ZINC000491166095 526951442 /nfs/dbraw/zinc/95/14/42/526951442.db2.gz PMPZGOYVLGZWKC-LSDHHAIUSA-N 2 2 309.479 1.028 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)CC1 ZINC000491325898 526953307 /nfs/dbraw/zinc/95/33/07/526953307.db2.gz HZJXAJQYDRWLPM-GJZGRUSLSA-N 2 2 314.433 1.031 20 30 DDEDLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329807148 528019874 /nfs/dbraw/zinc/01/98/74/528019874.db2.gz LPCHSADIGKNYEB-AWEZNQCLSA-N 2 2 305.426 1.591 20 30 DDEDLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329807148 528019879 /nfs/dbraw/zinc/01/98/79/528019879.db2.gz LPCHSADIGKNYEB-AWEZNQCLSA-N 2 2 305.426 1.591 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208077 696708015 /nfs/dbraw/zinc/70/80/15/696708015.db2.gz MRLBGIOZTFSSSO-XHSDSOJGSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208077 696708016 /nfs/dbraw/zinc/70/80/16/696708016.db2.gz MRLBGIOZTFSSSO-XHSDSOJGSA-N 2 2 314.433 1.203 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735761 695721636 /nfs/dbraw/zinc/72/16/36/695721636.db2.gz QRPKJCXNCBQWEP-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735761 695721637 /nfs/dbraw/zinc/72/16/37/695721637.db2.gz QRPKJCXNCBQWEP-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746007 695724702 /nfs/dbraw/zinc/72/47/02/695724702.db2.gz XYHYSIWPSLUFAM-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746007 695724703 /nfs/dbraw/zinc/72/47/03/695724703.db2.gz XYHYSIWPSLUFAM-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833924 696936702 /nfs/dbraw/zinc/93/67/02/696936702.db2.gz NLPRUILNCPIGJU-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833924 696936706 /nfs/dbraw/zinc/93/67/06/696936706.db2.gz NLPRUILNCPIGJU-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483048 697107977 /nfs/dbraw/zinc/10/79/77/697107977.db2.gz DEISVZPFNDRBGU-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483048 697107979 /nfs/dbraw/zinc/10/79/79/697107979.db2.gz DEISVZPFNDRBGU-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000982997905 697199474 /nfs/dbraw/zinc/19/94/74/697199474.db2.gz BOQIOGPRKIMWIQ-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000982997905 697199475 /nfs/dbraw/zinc/19/94/75/697199475.db2.gz BOQIOGPRKIMWIQ-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000776155684 698074433 /nfs/dbraw/zinc/07/44/33/698074433.db2.gz GHIGOHMNWHXFCQ-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000776155684 698074439 /nfs/dbraw/zinc/07/44/39/698074439.db2.gz GHIGOHMNWHXFCQ-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000817656377 702437643 /nfs/dbraw/zinc/43/76/43/702437643.db2.gz HPKDSSIEGWKDGZ-UHFFFAOYSA-N 2 2 303.450 1.418 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000817656377 702437648 /nfs/dbraw/zinc/43/76/48/702437648.db2.gz HPKDSSIEGWKDGZ-UHFFFAOYSA-N 2 2 303.450 1.418 20 30 DDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000848410308 703547454 /nfs/dbraw/zinc/54/74/54/703547454.db2.gz JVGXLUZQSSIJQY-ZIAGYGMSSA-N 2 2 305.426 1.825 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886012939 708681421 /nfs/dbraw/zinc/68/14/21/708681421.db2.gz SPICTHAAEIIGLD-INIZCTEOSA-N 2 2 309.454 1.210 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886012939 708681423 /nfs/dbraw/zinc/68/14/23/708681423.db2.gz SPICTHAAEIIGLD-INIZCTEOSA-N 2 2 309.454 1.210 20 30 DDEDLP COCC[N@H+](C)CCNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508906 711357857 /nfs/dbraw/zinc/35/78/57/711357857.db2.gz STOCZLZELVSFNR-UHFFFAOYSA-N 2 2 318.531 1.651 20 30 DDEDLP COCC[N@@H+](C)CCNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508906 711357860 /nfs/dbraw/zinc/35/78/60/711357860.db2.gz STOCZLZELVSFNR-UHFFFAOYSA-N 2 2 318.531 1.651 20 30 DDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685699 711577119 /nfs/dbraw/zinc/57/71/19/711577119.db2.gz NFOPLXGONKWZPW-SJORKVTESA-N 2 2 308.470 1.312 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000964089199 717997609 /nfs/dbraw/zinc/99/76/09/717997609.db2.gz IIJZZOCLEQPZHU-RWQKBRBCSA-N 2 2 312.417 1.096 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256293 716884314 /nfs/dbraw/zinc/88/43/14/716884314.db2.gz XQQMKUAGFDWVRB-HUUCEWRRSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256293 716884319 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QCOBPDVFQJWAEZ-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260278 864524410 /nfs/dbraw/zinc/52/44/10/864524410.db2.gz ZUAUCFDYFZYGNS-NSHDSACASA-N 2 2 323.803 1.748 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260278 864524417 /nfs/dbraw/zinc/52/44/17/864524417.db2.gz ZUAUCFDYFZYGNS-NSHDSACASA-N 2 2 323.803 1.748 20 30 DDEDLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])Cc1ccccc1C#N)CC2 ZINC001158347120 864591915 /nfs/dbraw/zinc/59/19/15/864591915.db2.gz GFVFZVXHMICCMW-HNNXBMFYSA-N 2 2 323.400 1.087 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471260 864675075 /nfs/dbraw/zinc/67/50/75/864675075.db2.gz IXWUKCWJMOOFEA-INIZCTEOSA-N 2 2 319.453 1.852 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471260 864675080 /nfs/dbraw/zinc/67/50/80/864675080.db2.gz IXWUKCWJMOOFEA-INIZCTEOSA-N 2 2 319.453 1.852 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331295008 864995346 /nfs/dbraw/zinc/99/53/46/864995346.db2.gz JXMDOVMAZAFFIP-MRXNPFEDSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332111448 865585646 /nfs/dbraw/zinc/58/56/46/865585646.db2.gz NALOBQZADILDAF-SOLBZPMBSA-N 2 2 314.433 1.971 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001332162520 865625331 /nfs/dbraw/zinc/62/53/31/865625331.db2.gz XHUIJAQECSSKQE-HRCADAONSA-N 2 2 300.406 1.123 20 30 DDEDLP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(Cl)cc1C#N ZINC001160520679 865906935 /nfs/dbraw/zinc/90/69/35/865906935.db2.gz SPUJDXNHTGBROK-OAHLLOKOSA-N 2 2 305.813 1.750 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC001333214299 866528687 /nfs/dbraw/zinc/52/86/87/866528687.db2.gz FJIGYICYRMTVFC-OAHLLOKOSA-N 2 2 303.410 1.012 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC001333214299 866528692 /nfs/dbraw/zinc/52/86/92/866528692.db2.gz FJIGYICYRMTVFC-OAHLLOKOSA-N 2 2 303.410 1.012 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001324482612 867304939 /nfs/dbraw/zinc/30/49/39/867304939.db2.gz NCZKBWMVLPWMKS-MRXNPFEDSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC001324482612 867304949 /nfs/dbraw/zinc/30/49/49/867304949.db2.gz NCZKBWMVLPWMKS-MRXNPFEDSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001334137900 867322242 /nfs/dbraw/zinc/32/22/42/867322242.db2.gz UMKDJVDNDKBDMU-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001334137900 867322256 /nfs/dbraw/zinc/32/22/56/867322256.db2.gz UMKDJVDNDKBDMU-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C[NH+](C)C1(CNc2nc(Cl)cc(C#N)n2)CC[NH+](C)CC1 ZINC001164206788 869013064 /nfs/dbraw/zinc/01/30/64/869013064.db2.gz CSNMVQZSCVDHKH-UHFFFAOYSA-N 2 2 308.817 1.440 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165818719 869721757 /nfs/dbraw/zinc/72/17/57/869721757.db2.gz BGVFBUWDXHTQOP-CQSZACIVSA-N 2 2 302.422 1.508 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606805 870669577 /nfs/dbraw/zinc/66/95/77/870669577.db2.gz RBVPOTSHTXVNSG-JKSUJKDBSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317379427 870738077 /nfs/dbraw/zinc/73/80/77/870738077.db2.gz WPTMYRUBLNXFPG-MRXNPFEDSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317379427 870738089 /nfs/dbraw/zinc/73/80/89/870738089.db2.gz WPTMYRUBLNXFPG-MRXNPFEDSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487930 871581100 /nfs/dbraw/zinc/58/11/00/871581100.db2.gz UKGATBJHUDUNHD-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487930 871581111 /nfs/dbraw/zinc/58/11/11/871581111.db2.gz UKGATBJHUDUNHD-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(F)c(C#N)c2)CCC1=O ZINC001205493809 871586791 /nfs/dbraw/zinc/58/67/91/871586791.db2.gz RSJFKIPJNOFQCY-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CCC1=O ZINC001205493809 871586806 /nfs/dbraw/zinc/58/68/06/871586806.db2.gz RSJFKIPJNOFQCY-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853431 871593582 /nfs/dbraw/zinc/59/35/82/871593582.db2.gz LATPULHOJUTHRR-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853431 871593584 /nfs/dbraw/zinc/59/35/84/871593584.db2.gz LATPULHOJUTHRR-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853431 871593588 /nfs/dbraw/zinc/59/35/88/871593588.db2.gz LATPULHOJUTHRR-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853431 871593593 /nfs/dbraw/zinc/59/35/93/871593593.db2.gz LATPULHOJUTHRR-GJZGRUSLSA-N 2 2 302.422 1.392 20 30 DDEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001342675987 872331459 /nfs/dbraw/zinc/33/14/59/872331459.db2.gz WCXPZLVDKFDHAI-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001342675987 872331479 /nfs/dbraw/zinc/33/14/79/872331479.db2.gz WCXPZLVDKFDHAI-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319622066 872722012 /nfs/dbraw/zinc/72/20/12/872722012.db2.gz XPFMYMFLSLCUGQ-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001206941511 872814706 /nfs/dbraw/zinc/81/47/06/872814706.db2.gz AQDZILPXQBCXQN-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210669388 875482343 /nfs/dbraw/zinc/48/23/43/875482343.db2.gz WSMVNQKFBNUFLG-CQSZACIVSA-N 2 2 320.437 1.471 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293469 875745927 /nfs/dbraw/zinc/74/59/27/875745927.db2.gz IXQPAPOGEXUUSM-DLBZAZTESA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200137 876606004 /nfs/dbraw/zinc/60/60/04/876606004.db2.gz QTDSBXFNHAVYPP-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001215680860 876783672 /nfs/dbraw/zinc/78/36/72/876783672.db2.gz MGVFUVAXVKHAHB-CRAIPNDOSA-N 2 2 322.412 1.440 20 30 DDEDLP N#Cc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2cccnc12 ZINC001219465033 878245377 /nfs/dbraw/zinc/24/53/77/878245377.db2.gz ITINDTMXMMSDNT-MRRJBJDNSA-N 2 2 307.357 1.267 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234214336 887750923 /nfs/dbraw/zinc/75/09/23/887750923.db2.gz AEIKRIQJDXGPJT-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234214336 887750936 /nfs/dbraw/zinc/75/09/36/887750936.db2.gz AEIKRIQJDXGPJT-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234214336 887750949 /nfs/dbraw/zinc/75/09/49/887750949.db2.gz AEIKRIQJDXGPJT-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234214336 887750963 /nfs/dbraw/zinc/75/09/63/887750963.db2.gz AEIKRIQJDXGPJT-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCOC(C)C ZINC001235473305 888667096 /nfs/dbraw/zinc/66/70/96/888667096.db2.gz VHCDQMUUKCCVAU-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCOC(C)C ZINC001235473305 888667110 /nfs/dbraw/zinc/66/71/10/888667110.db2.gz VHCDQMUUKCCVAU-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOC(C)C ZINC001235473305 888667124 /nfs/dbraw/zinc/66/71/24/888667124.db2.gz VHCDQMUUKCCVAU-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOC(C)C ZINC001235473305 888667133 /nfs/dbraw/zinc/66/71/33/888667133.db2.gz VHCDQMUUKCCVAU-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C=C/C(=[NH+]\COC)c1ccc(NCCN2CC[NH+](C)CC2)nc1 ZINC001241556524 891201710 /nfs/dbraw/zinc/20/17/10/891201710.db2.gz QVMUYZKOYKNFHP-CAPFRKAQSA-N 2 2 317.437 1.320 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252596325 895300707 /nfs/dbraw/zinc/30/07/07/895300707.db2.gz PGJMTOXZGSEFRD-SOLBZPMBSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252596325 895300724 /nfs/dbraw/zinc/30/07/24/895300724.db2.gz PGJMTOXZGSEFRD-SOLBZPMBSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252596325 895300740 /nfs/dbraw/zinc/30/07/40/895300740.db2.gz PGJMTOXZGSEFRD-SOLBZPMBSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252596325 895300757 /nfs/dbraw/zinc/30/07/57/895300757.db2.gz PGJMTOXZGSEFRD-SOLBZPMBSA-N 2 2 301.434 1.772 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278977678 897624462 /nfs/dbraw/zinc/62/44/62/897624462.db2.gz COHKYOBNCQBJLJ-LSDHHAIUSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012186 897834787 /nfs/dbraw/zinc/83/47/87/897834787.db2.gz KDEJLEYQVBEUSV-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1C#N ZINC001390509957 899574638 /nfs/dbraw/zinc/57/46/38/899574638.db2.gz NKUNCMJEKICMGI-ZDUSSCGKSA-N 2 2 311.389 1.129 20 30 DDEDLP CC#CC[NH+]1CCC(N(CCC)C(=O)CCn2cc[nH+]c2)CC1 ZINC001265340372 901902551 /nfs/dbraw/zinc/90/25/51/901902551.db2.gz PLNLHUSKGLPTHV-UHFFFAOYSA-N 2 2 316.449 2.000 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265675365 902288876 /nfs/dbraw/zinc/28/88/76/902288876.db2.gz GSOVPHOCQWHKNI-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001265740699 902358294 /nfs/dbraw/zinc/35/82/94/902358294.db2.gz MNPGFCVDAQAZHN-NFOMZHRRSA-N 2 2 302.422 1.629 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001265740699 902358309 /nfs/dbraw/zinc/35/83/09/902358309.db2.gz MNPGFCVDAQAZHN-NFOMZHRRSA-N 2 2 302.422 1.629 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266145282 903018121 /nfs/dbraw/zinc/01/81/21/903018121.db2.gz OZWIVMZISDKASF-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266145282 903018128 /nfs/dbraw/zinc/01/81/28/903018128.db2.gz OZWIVMZISDKASF-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371484015 905076962 /nfs/dbraw/zinc/07/69/62/905076962.db2.gz JKTJJSXIWGPJFI-LBPRGKRZSA-N 2 2 315.352 1.188 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282230368 905630970 /nfs/dbraw/zinc/63/09/70/905630970.db2.gz VNHBVQUOHWZNIR-HUUCEWRRSA-N 2 2 324.428 1.795 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001282715151 905979355 /nfs/dbraw/zinc/97/93/55/905979355.db2.gz PLXYCYAQFGHBHA-CQSZACIVSA-N 2 2 314.433 1.222 20 30 DDEDLP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001282942026 906298332 /nfs/dbraw/zinc/29/83/32/906298332.db2.gz ZHNMDWJRWGBYEY-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393973867 908425375 /nfs/dbraw/zinc/42/53/75/908425375.db2.gz GDQSWJMPAHEEJY-MNOVXSKESA-N 2 2 317.418 1.568 20 30 DDEDLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329398298 539304083 /nfs/dbraw/zinc/30/40/83/539304083.db2.gz YDCNYUYQWDOPCY-CABCVRRESA-N 2 2 319.453 1.428 20 30 DDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344379993 530071166 /nfs/dbraw/zinc/07/11/66/530071166.db2.gz OGOZGQUDNSYNOM-QGZVFWFLSA-N 2 2 316.449 1.705 20 30 DDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344379993 530071167 /nfs/dbraw/zinc/07/11/67/530071167.db2.gz OGOZGQUDNSYNOM-QGZVFWFLSA-N 2 2 316.449 1.705 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000316551787 354503583 /nfs/dbraw/zinc/50/35/83/354503583.db2.gz DPCASTNBWMLLOL-DZGCQCFKSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000316551787 354503585 /nfs/dbraw/zinc/50/35/85/354503585.db2.gz DPCASTNBWMLLOL-DZGCQCFKSA-N 2 2 321.446 1.404 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329736595 283095592 /nfs/dbraw/zinc/09/55/92/283095592.db2.gz LNFGFJSFVDWQJZ-DVOMOZLQSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329736595 283095598 /nfs/dbraw/zinc/09/55/98/283095598.db2.gz LNFGFJSFVDWQJZ-DVOMOZLQSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329736595 283095603 /nfs/dbraw/zinc/09/56/03/283095603.db2.gz LNFGFJSFVDWQJZ-DVOMOZLQSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329736595 283095608 /nfs/dbraw/zinc/09/56/08/283095608.db2.gz LNFGFJSFVDWQJZ-DVOMOZLQSA-N 2 2 317.437 1.597 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867518 356685154 /nfs/dbraw/zinc/68/51/54/356685154.db2.gz NQFZNDSSNAMHSB-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867518 356685156 /nfs/dbraw/zinc/68/51/56/356685156.db2.gz NQFZNDSSNAMHSB-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000598699700 357693438 /nfs/dbraw/zinc/69/34/38/357693438.db2.gz HWMVAQGUBTVCOI-KRWDZBQOSA-N 2 2 316.449 1.936 20 30 DDEDLP N#CCc1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000602600693 359065082 /nfs/dbraw/zinc/06/50/82/359065082.db2.gz HSYWYSWPDHDMRS-UHFFFAOYSA-N 2 2 321.384 1.810 20 30 DDEDLP N#Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266014307 205027488 /nfs/dbraw/zinc/02/74/88/205027488.db2.gz MUBRPMOQYCEDNN-KRWDZBQOSA-N 2 2 315.417 1.591 20 30 DDEDLP N#Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266014307 205027491 /nfs/dbraw/zinc/02/74/91/205027491.db2.gz MUBRPMOQYCEDNN-KRWDZBQOSA-N 2 2 315.417 1.591 20 30 DDEDLP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001120469239 781965197 /nfs/dbraw/zinc/96/51/97/781965197.db2.gz QYWGDQDKXHIWOY-INIZCTEOSA-N 2 2 300.406 1.817 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1C#N ZINC000090224227 407166891 /nfs/dbraw/zinc/16/68/91/407166891.db2.gz UFFSYBLKPAEAMK-IAGOWNOFSA-N 2 2 315.417 1.910 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1C#N ZINC000090224227 407166894 /nfs/dbraw/zinc/16/68/94/407166894.db2.gz UFFSYBLKPAEAMK-IAGOWNOFSA-N 2 2 315.417 1.910 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[NH+]1CCOCC1 ZINC000170906289 407550819 /nfs/dbraw/zinc/55/08/19/407550819.db2.gz SDPFGRAFPGJZNU-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000118532587 407919603 /nfs/dbraw/zinc/91/96/03/407919603.db2.gz ITOSWLNIZSJFIH-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246133316 408150214 /nfs/dbraw/zinc/15/02/14/408150214.db2.gz ZSEMSWWCIRFEOO-FUHWJXTLSA-N 2 2 315.417 1.246 20 30 DDEDLP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246133316 408150218 /nfs/dbraw/zinc/15/02/18/408150218.db2.gz ZSEMSWWCIRFEOO-FUHWJXTLSA-N 2 2 315.417 1.246 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(C#N)c2)CC1 ZINC000177148022 408535978 /nfs/dbraw/zinc/53/59/78/408535978.db2.gz ZITBWASLBRTVKH-UHFFFAOYSA-N 2 2 300.406 1.314 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302904132 409520113 /nfs/dbraw/zinc/52/01/13/409520113.db2.gz RSSUGNSDBBQEGH-UHFFFAOYSA-N 2 2 303.410 1.376 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302904132 409520117 /nfs/dbraw/zinc/52/01/17/409520117.db2.gz RSSUGNSDBBQEGH-UHFFFAOYSA-N 2 2 303.410 1.376 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000296598212 409626416 /nfs/dbraw/zinc/62/64/16/409626416.db2.gz OFYIPHYRHBCNGN-UHFFFAOYSA-N 2 2 313.405 1.131 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000296598212 409626423 /nfs/dbraw/zinc/62/64/23/409626423.db2.gz OFYIPHYRHBCNGN-UHFFFAOYSA-N 2 2 313.405 1.131 20 30 DDEDLP Cc1c[nH+]c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000342797613 409912744 /nfs/dbraw/zinc/91/27/44/409912744.db2.gz GUNIXTDEMRIRFT-UHFFFAOYSA-N 2 2 309.417 1.918 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000328772023 409976009 /nfs/dbraw/zinc/97/60/09/409976009.db2.gz AYEORZOJNZXLOZ-MCIONIFRSA-N 2 2 317.437 1.749 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000328772023 409976013 /nfs/dbraw/zinc/97/60/13/409976013.db2.gz AYEORZOJNZXLOZ-MCIONIFRSA-N 2 2 317.437 1.749 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000328642616 409944916 /nfs/dbraw/zinc/94/49/16/409944916.db2.gz DWNXDQZISVOFHJ-GJZGRUSLSA-N 2 2 319.453 1.661 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000339545528 410272610 /nfs/dbraw/zinc/27/26/10/410272610.db2.gz MLEZNNVEWRMMNM-UHFFFAOYSA-N 2 2 316.405 1.440 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329615807 410386037 /nfs/dbraw/zinc/38/60/37/410386037.db2.gz LBWKREVOKYLSSU-MGPQQGTHSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329615807 410386040 /nfs/dbraw/zinc/38/60/40/410386040.db2.gz LBWKREVOKYLSSU-MGPQQGTHSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329615807 410386045 /nfs/dbraw/zinc/38/60/45/410386045.db2.gz LBWKREVOKYLSSU-MGPQQGTHSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329615807 410386051 /nfs/dbraw/zinc/38/60/51/410386051.db2.gz LBWKREVOKYLSSU-MGPQQGTHSA-N 2 2 317.437 1.740 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(C#N)cs1 ZINC000356321529 410964312 /nfs/dbraw/zinc/96/43/12/410964312.db2.gz QFRYEYCIIOBKSN-UHFFFAOYSA-N 2 2 307.467 1.473 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(C#N)cs1 ZINC000356321529 410964313 /nfs/dbraw/zinc/96/43/13/410964313.db2.gz QFRYEYCIIOBKSN-UHFFFAOYSA-N 2 2 307.467 1.473 20 30 DDEDLP C[NH+]=C(NCCn1cccn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160009033 221700088 /nfs/dbraw/zinc/70/00/88/221700088.db2.gz WFGZDTQHJWTAFF-LSDHHAIUSA-N 2 2 315.425 1.238 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374255179 418510555 /nfs/dbraw/zinc/51/05/55/418510555.db2.gz IRUGSHSDSGPSTA-LSDHHAIUSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374255179 418510557 /nfs/dbraw/zinc/51/05/57/418510557.db2.gz IRUGSHSDSGPSTA-LSDHHAIUSA-N 2 2 306.454 1.208 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011692 418587447 /nfs/dbraw/zinc/58/74/47/418587447.db2.gz HHLMNHTVHYHAPV-UHFFFAOYSA-N 2 2 316.449 1.323 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011692 418587450 /nfs/dbraw/zinc/58/74/50/418587450.db2.gz HHLMNHTVHYHAPV-UHFFFAOYSA-N 2 2 316.449 1.323 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCC#N)C2)CC1 ZINC000369369952 418732886 /nfs/dbraw/zinc/73/28/86/418732886.db2.gz LMJDOWYZFVPSJL-AWEZNQCLSA-N 2 2 307.442 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCCC#N)C2)CC1 ZINC000369369952 418732888 /nfs/dbraw/zinc/73/28/88/418732888.db2.gz LMJDOWYZFVPSJL-AWEZNQCLSA-N 2 2 307.442 1.148 20 30 DDEDLP N#Cc1ccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422990267 227299808 /nfs/dbraw/zinc/29/98/08/227299808.db2.gz NBFLVKIZJBUFMS-IRXDYDNUSA-N 2 2 301.390 1.294 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531980 420778621 /nfs/dbraw/zinc/77/86/21/420778621.db2.gz RRSWWRKHVVJLOV-SJORKVTESA-N 2 2 314.433 1.939 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531980 420778626 /nfs/dbraw/zinc/77/86/26/420778626.db2.gz RRSWWRKHVVJLOV-SJORKVTESA-N 2 2 314.433 1.939 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000491210767 421195681 /nfs/dbraw/zinc/19/56/81/421195681.db2.gz YPKAOMFOEGZHJA-HOTGVXAUSA-N 2 2 303.450 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000491210767 421195684 /nfs/dbraw/zinc/19/56/84/421195684.db2.gz YPKAOMFOEGZHJA-HOTGVXAUSA-N 2 2 303.450 1.274 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)CC1 ZINC000563833389 421547848 /nfs/dbraw/zinc/54/78/48/421547848.db2.gz XGSFJRFAMOJXKZ-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3cnc(C#N)cn3)CC2)CC1 ZINC000563833389 421547849 /nfs/dbraw/zinc/54/78/49/421547849.db2.gz XGSFJRFAMOJXKZ-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP C=CCC[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573206635 421931091 /nfs/dbraw/zinc/93/10/91/421931091.db2.gz HRZDVJOTTGNNFX-HZPDHXFCSA-N 2 2 317.433 1.931 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374201430 268249392 /nfs/dbraw/zinc/24/93/92/268249392.db2.gz VRLHCHQUJDPJGB-UHFFFAOYSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000530232093 268303622 /nfs/dbraw/zinc/30/36/22/268303622.db2.gz MXBVQXFJDNCXPD-HUUCEWRRSA-N 2 2 312.373 1.099 20 30 DDEDLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329954309 278081065 /nfs/dbraw/zinc/08/10/65/278081065.db2.gz NUFNETDTJHXTMB-AWEZNQCLSA-N 2 2 307.442 1.599 20 30 DDEDLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329954309 278081067 /nfs/dbraw/zinc/08/10/67/278081067.db2.gz NUFNETDTJHXTMB-AWEZNQCLSA-N 2 2 307.442 1.599 20 30 DDEDLP CC1(C#N)CC[NH+](CC(O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000447300419 278171238 /nfs/dbraw/zinc/17/12/38/278171238.db2.gz XJBXBORGGCGTQQ-UHFFFAOYSA-N 2 2 304.438 1.599 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355733425 280101971 /nfs/dbraw/zinc/10/19/71/280101971.db2.gz KVNQFWQDUVPKTR-BFYDXBDKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355733425 280101973 /nfs/dbraw/zinc/10/19/73/280101973.db2.gz KVNQFWQDUVPKTR-BFYDXBDKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355733425 280101977 /nfs/dbraw/zinc/10/19/77/280101977.db2.gz KVNQFWQDUVPKTR-BFYDXBDKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355733425 280101979 /nfs/dbraw/zinc/10/19/79/280101979.db2.gz KVNQFWQDUVPKTR-BFYDXBDKSA-N 2 2 308.470 1.703 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cn1 ZINC000582615101 337114928 /nfs/dbraw/zinc/11/49/28/337114928.db2.gz PRPCEVSUHCJNOP-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cn1 ZINC000582615101 337114929 /nfs/dbraw/zinc/11/49/29/337114929.db2.gz PRPCEVSUHCJNOP-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP C=CC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497060793 340019351 /nfs/dbraw/zinc/01/93/51/340019351.db2.gz DOTKNEULNFEVBA-QGZVFWFLSA-N 2 2 305.422 1.759 20 30 DDEDLP C=CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684139454 486261656 /nfs/dbraw/zinc/26/16/56/486261656.db2.gz AEMHSAJXUBMXBI-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684139454 486261662 /nfs/dbraw/zinc/26/16/62/486261662.db2.gz AEMHSAJXUBMXBI-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)[C@H](CO)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000677048232 486385994 /nfs/dbraw/zinc/38/59/94/486385994.db2.gz QVMHJTOSIMLCAV-HNNXBMFYSA-N 2 2 304.438 1.967 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329616577 534762936 /nfs/dbraw/zinc/76/29/36/534762936.db2.gz LLEIBDOYUWDMLV-GFCCVEGCSA-N 2 2 314.393 1.715 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329616577 534762950 /nfs/dbraw/zinc/76/29/50/534762950.db2.gz LLEIBDOYUWDMLV-GFCCVEGCSA-N 2 2 314.393 1.715 20 30 DDEDLP C#CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000491657535 526766078 /nfs/dbraw/zinc/76/60/78/526766078.db2.gz GKZFIWPATZDAOO-UHFFFAOYSA-N 2 2 318.465 1.352 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738629 695722668 /nfs/dbraw/zinc/72/26/68/695722668.db2.gz CTTQPUJGUYZMPA-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738629 695722669 /nfs/dbraw/zinc/72/26/69/695722669.db2.gz CTTQPUJGUYZMPA-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401532 696376745 /nfs/dbraw/zinc/37/67/45/696376745.db2.gz DCMHTHCINNYIBD-YHUYYLMFSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401532 696376748 /nfs/dbraw/zinc/37/67/48/696376748.db2.gz DCMHTHCINNYIBD-YHUYYLMFSA-N 2 2 314.433 1.316 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910255 696965413 /nfs/dbraw/zinc/96/54/13/696965413.db2.gz TZHJEQPMIYKIES-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910255 696965416 /nfs/dbraw/zinc/96/54/16/696965416.db2.gz TZHJEQPMIYKIES-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022466 697005423 /nfs/dbraw/zinc/00/54/23/697005423.db2.gz YNCHWQMHKDTYJK-HUUCEWRRSA-N 2 2 314.433 1.634 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022466 697005426 /nfs/dbraw/zinc/00/54/26/697005426.db2.gz YNCHWQMHKDTYJK-HUUCEWRRSA-N 2 2 314.433 1.634 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799061 697575876 /nfs/dbraw/zinc/57/58/76/697575876.db2.gz BYHYVYDQDYERLH-KRWDZBQOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799061 697575877 /nfs/dbraw/zinc/57/58/77/697575877.db2.gz BYHYVYDQDYERLH-KRWDZBQOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988877795 698490460 /nfs/dbraw/zinc/49/04/60/698490460.db2.gz VSCILCDVRBDOBZ-ZIAGYGMSSA-N 2 2 302.422 1.527 20 30 DDEDLP COc1cccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)c1 ZINC000303781039 698606558 /nfs/dbraw/zinc/60/65/58/698606558.db2.gz LYHITOIECSUZTL-OAHLLOKOSA-N 2 2 322.478 1.661 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854758 698797058 /nfs/dbraw/zinc/79/70/58/698797058.db2.gz ULVJEFBMCMQVGF-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991469205 699331758 /nfs/dbraw/zinc/33/17/58/699331758.db2.gz DNIZSAJQQPBUGD-HDMKZQKVSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991469205 699331761 /nfs/dbraw/zinc/33/17/61/699331761.db2.gz DNIZSAJQQPBUGD-HDMKZQKVSA-N 2 2 314.433 1.745 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000847515980 703430318 /nfs/dbraw/zinc/43/03/18/703430318.db2.gz SLFATDQTXWMIQN-UHFFFAOYSA-N 2 2 310.401 1.860 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000852855859 704149577 /nfs/dbraw/zinc/14/95/77/704149577.db2.gz POQKHFCQHXPGRN-UHFFFAOYSA-N 2 2 317.458 1.395 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CCC[NH2+]1 ZINC000852869383 704155524 /nfs/dbraw/zinc/15/55/24/704155524.db2.gz DURNRXXFDZOKAJ-MRXNPFEDSA-N 2 2 315.408 1.873 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CCC[NH2+]1 ZINC000852869383 704155525 /nfs/dbraw/zinc/15/55/25/704155525.db2.gz DURNRXXFDZOKAJ-MRXNPFEDSA-N 2 2 315.408 1.873 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](C2CC2)CC1 ZINC000876718145 705836597 /nfs/dbraw/zinc/83/65/97/705836597.db2.gz MDYSRGIBXHKDRT-QGZVFWFLSA-N 2 2 310.401 1.052 20 30 DDEDLP C#CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000877371571 706084072 /nfs/dbraw/zinc/08/40/72/706084072.db2.gz JOELPXRNNHDOMF-UHFFFAOYSA-N 2 2 314.429 1.995 20 30 DDEDLP C#CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000877371571 706084074 /nfs/dbraw/zinc/08/40/74/706084074.db2.gz JOELPXRNNHDOMF-UHFFFAOYSA-N 2 2 314.429 1.995 20 30 DDEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000872206556 707328229 /nfs/dbraw/zinc/32/82/29/707328229.db2.gz XAIBQZGTMSTETA-GBESFXJTSA-N 2 2 314.429 1.394 20 30 DDEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000872206556 707328233 /nfs/dbraw/zinc/32/82/33/707328233.db2.gz XAIBQZGTMSTETA-GBESFXJTSA-N 2 2 314.429 1.394 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC000883131694 707936191 /nfs/dbraw/zinc/93/61/91/707936191.db2.gz NRSYGSQMGHUFTJ-UHFFFAOYSA-N 2 2 319.840 1.975 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC000883131694 707936193 /nfs/dbraw/zinc/93/61/93/707936193.db2.gz NRSYGSQMGHUFTJ-UHFFFAOYSA-N 2 2 319.840 1.975 20 30 DDEDLP C=CCONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000838705943 707966551 /nfs/dbraw/zinc/96/65/51/707966551.db2.gz IGCXZAMLBHFXKC-UHFFFAOYSA-N 2 2 310.442 1.354 20 30 DDEDLP C[NH+](C)Cc1cnc(C[NH2+]CCNc2ccc(C#N)cn2)s1 ZINC000897396031 708314479 /nfs/dbraw/zinc/31/44/79/708314479.db2.gz DUCXNYUWCVYYGU-UHFFFAOYSA-N 2 2 316.434 1.673 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccsc3C#N)C2)CC1 ZINC000906662635 712382943 /nfs/dbraw/zinc/38/29/43/712382943.db2.gz ZNPZECPOVLQLPR-GFCCVEGCSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccsc3C#N)C2)CC1 ZINC000906662635 712382944 /nfs/dbraw/zinc/38/29/44/712382944.db2.gz ZNPZECPOVLQLPR-GFCCVEGCSA-N 2 2 318.446 1.518 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259057 713577298 /nfs/dbraw/zinc/57/72/98/713577298.db2.gz ORTRQEXILQGQNN-UHFFFAOYSA-N 2 2 314.433 1.381 20 30 DDEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)C[C@@H]2C1 ZINC000931426989 714093216 /nfs/dbraw/zinc/09/32/16/714093216.db2.gz ORSVIYAMZOLHTN-CABCVRRESA-N 2 2 304.438 1.213 20 30 DDEDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)C[C@@H]2C1 ZINC000931426989 714093217 /nfs/dbraw/zinc/09/32/17/714093217.db2.gz ORSVIYAMZOLHTN-CABCVRRESA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)C[C@@H]2C1 ZINC000931426989 714093219 /nfs/dbraw/zinc/09/32/19/714093219.db2.gz ORSVIYAMZOLHTN-CABCVRRESA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)C[C@@H]2C1 ZINC000931426989 714093220 /nfs/dbraw/zinc/09/32/20/714093220.db2.gz ORSVIYAMZOLHTN-CABCVRRESA-N 2 2 304.438 1.213 20 30 DDEDLP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000964184805 718020110 /nfs/dbraw/zinc/02/01/10/718020110.db2.gz JNSSCOLICRTBQD-UHFFFAOYSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267333 716888339 /nfs/dbraw/zinc/88/83/39/716888339.db2.gz HKYGTKNBLNCYAP-CVEARBPZSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267333 716888341 /nfs/dbraw/zinc/88/83/41/716888341.db2.gz HKYGTKNBLNCYAP-CVEARBPZSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 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RNFBCVJKHZHNCW-BBWFWOEESA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)[C@@H]1CC ZINC001087608144 740675380 /nfs/dbraw/zinc/67/53/80/740675380.db2.gz RNFBCVJKHZHNCW-BBWFWOEESA-N 2 2 303.450 1.629 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537173 751583162 /nfs/dbraw/zinc/58/31/62/751583162.db2.gz MEDYAMDQMCLPJK-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537173 751583168 /nfs/dbraw/zinc/58/31/68/751583168.db2.gz MEDYAMDQMCLPJK-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537173 751583175 /nfs/dbraw/zinc/58/31/75/751583175.db2.gz MEDYAMDQMCLPJK-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537173 751583182 /nfs/dbraw/zinc/58/31/82/751583182.db2.gz MEDYAMDQMCLPJK-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP 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743372717 /nfs/dbraw/zinc/37/27/17/743372717.db2.gz JAQQBGYLOAJOJP-CVEARBPZSA-N 2 2 314.389 1.304 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570669 743372727 /nfs/dbraw/zinc/37/27/27/743372727.db2.gz JAQQBGYLOAJOJP-CVEARBPZSA-N 2 2 314.389 1.304 20 30 DDEDLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182204183 743516675 /nfs/dbraw/zinc/51/66/75/743516675.db2.gz NGVAMPRNZVUMTC-QGZVFWFLSA-N 2 2 322.412 1.585 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038097518 743555261 /nfs/dbraw/zinc/55/52/61/743555261.db2.gz YYEUMXOIAVDILM-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(C#N)c1 ZINC001038097518 743555266 /nfs/dbraw/zinc/55/52/66/743555266.db2.gz YYEUMXOIAVDILM-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038097518 743555274 /nfs/dbraw/zinc/55/52/74/743555274.db2.gz 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CC#CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148887718 773639584 /nfs/dbraw/zinc/63/95/84/773639584.db2.gz PMZPBQOXIOHEIV-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148887718 773639585 /nfs/dbraw/zinc/63/95/85/773639585.db2.gz PMZPBQOXIOHEIV-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747952 774247734 /nfs/dbraw/zinc/24/77/34/774247734.db2.gz KHTWUIYIIFYJDR-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747952 774247738 /nfs/dbraw/zinc/24/77/38/774247738.db2.gz KHTWUIYIIFYJDR-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092747545 774248077 /nfs/dbraw/zinc/24/80/77/774248077.db2.gz DCOBDTIFIXEXSR-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092747545 774248080 /nfs/dbraw/zinc/24/80/80/774248080.db2.gz DCOBDTIFIXEXSR-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098774213 774669446 /nfs/dbraw/zinc/66/94/46/774669446.db2.gz WUBQQPGBDQCOBT-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098774213 774669447 /nfs/dbraw/zinc/66/94/47/774669447.db2.gz WUBQQPGBDQCOBT-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774213 774669449 /nfs/dbraw/zinc/66/94/49/774669449.db2.gz WUBQQPGBDQCOBT-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774213 774669451 /nfs/dbraw/zinc/66/94/51/774669451.db2.gz WUBQQPGBDQCOBT-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310500 774942155 /nfs/dbraw/zinc/94/21/55/774942155.db2.gz OAYSDKKPFCCETI-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310500 774942156 /nfs/dbraw/zinc/94/21/56/774942156.db2.gz OAYSDKKPFCCETI-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324693 774947416 /nfs/dbraw/zinc/94/74/16/774947416.db2.gz QHJUKNCEMCCJAI-HNNXBMFYSA-N 2 2 316.449 1.891 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324693 774947422 /nfs/dbraw/zinc/94/74/22/774947422.db2.gz QHJUKNCEMCCJAI-HNNXBMFYSA-N 2 2 316.449 1.891 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018162 775577453 /nfs/dbraw/zinc/57/74/53/775577453.db2.gz POYPQDPTRDKMDV-HOTGVXAUSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018162 775577463 /nfs/dbraw/zinc/57/74/63/775577463.db2.gz POYPQDPTRDKMDV-HOTGVXAUSA-N 2 2 322.453 1.474 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595380 776360778 /nfs/dbraw/zinc/36/07/78/776360778.db2.gz BNWKTIAPTLGIMU-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331110 779722973 /nfs/dbraw/zinc/72/29/73/779722973.db2.gz AQPPUUQTBTUXPX-YOEHRIQHSA-N 2 2 300.406 1.194 20 30 DDEDLP C#CC[N@H+](CCC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266568088 836480760 /nfs/dbraw/zinc/48/07/60/836480760.db2.gz DLVYESAAYZIMCR-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266568088 836480767 /nfs/dbraw/zinc/48/07/67/836480767.db2.gz DLVYESAAYZIMCR-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+](CCC)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266568088 836480774 /nfs/dbraw/zinc/48/07/74/836480774.db2.gz DLVYESAAYZIMCR-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+](CCC)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266568088 836480778 /nfs/dbraw/zinc/48/07/78/836480778.db2.gz DLVYESAAYZIMCR-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267111636 837372400 /nfs/dbraw/zinc/37/24/00/837372400.db2.gz KSHOZZOODCLMHR-CVEARBPZSA-N 2 2 302.422 1.780 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267111636 837372414 /nfs/dbraw/zinc/37/24/14/837372414.db2.gz KSHOZZOODCLMHR-CVEARBPZSA-N 2 2 302.422 1.780 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001268293073 839956166 /nfs/dbraw/zinc/95/61/66/839956166.db2.gz XMEHAMBRGMZHHI-GOEBONIOSA-N 2 2 302.422 1.251 20 30 DDEDLP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083094 841186172 /nfs/dbraw/zinc/18/61/72/841186172.db2.gz AJBYRXDPCTWXDC-CVEARBPZSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269622076 841838651 /nfs/dbraw/zinc/83/86/51/841838651.db2.gz AKVCOUKXXUQSCW-KDOFPFPSSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422371222 842157846 /nfs/dbraw/zinc/15/78/46/842157846.db2.gz HERVKMOSPMLTLD-ZJUUUORDSA-N 2 2 315.215 1.344 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001280370138 843258492 /nfs/dbraw/zinc/25/84/92/843258492.db2.gz WYGYZSIUQFZOAI-WKILWMFISA-N 2 2 316.449 1.641 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001271750567 843839739 /nfs/dbraw/zinc/83/97/39/843839739.db2.gz SRKCCSOWKQCHQV-MUJYYYPQSA-N 2 2 300.406 1.266 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001271750567 843839751 /nfs/dbraw/zinc/83/97/51/843839751.db2.gz SRKCCSOWKQCHQV-MUJYYYPQSA-N 2 2 300.406 1.266 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001005519408 848081810 /nfs/dbraw/zinc/08/18/10/848081810.db2.gz UEJVVGCUWAQSIE-INIZCTEOSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001005519408 848081815 /nfs/dbraw/zinc/08/18/15/848081815.db2.gz UEJVVGCUWAQSIE-INIZCTEOSA-N 2 2 323.868 1.759 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CO2 ZINC001327409147 862148720 /nfs/dbraw/zinc/14/87/20/862148720.db2.gz WDTZKWAAIQUBKL-HOTGVXAUSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001273979391 851750161 /nfs/dbraw/zinc/75/01/61/851750161.db2.gz FRNYTCQWEGRFTI-ZIAGYGMSSA-N 2 2 318.421 1.344 20 30 DDEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001273979391 851750168 /nfs/dbraw/zinc/75/01/68/851750168.db2.gz FRNYTCQWEGRFTI-ZIAGYGMSSA-N 2 2 318.421 1.344 20 30 DDEDLP N#CCCCC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274041964 851882996 /nfs/dbraw/zinc/88/29/96/851882996.db2.gz AEHGPFJVTBYUTK-QGZVFWFLSA-N 2 2 315.421 1.644 20 30 DDEDLP N#CCCCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274041964 851883002 /nfs/dbraw/zinc/88/30/02/851883002.db2.gz AEHGPFJVTBYUTK-QGZVFWFLSA-N 2 2 315.421 1.644 20 30 DDEDLP N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)c1 ZINC001274244316 852086094 /nfs/dbraw/zinc/08/60/94/852086094.db2.gz MGJAQIAMQUSLNB-UPHRSURJSA-N 2 2 323.400 1.607 20 30 DDEDLP C#CCCC[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275975943 854061448 /nfs/dbraw/zinc/06/14/48/854061448.db2.gz SQJMGRKDBWPVIE-SFHVURJKSA-N 2 2 316.449 1.463 20 30 DDEDLP C#CCCC[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275975943 854061453 /nfs/dbraw/zinc/06/14/53/854061453.db2.gz SQJMGRKDBWPVIE-SFHVURJKSA-N 2 2 316.449 1.463 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864573 857817847 /nfs/dbraw/zinc/81/78/47/857817847.db2.gz JWBAZQRZFLUUHW-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864573 857817860 /nfs/dbraw/zinc/81/78/60/857817860.db2.gz JWBAZQRZFLUUHW-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)C1 ZINC001073101503 858101171 /nfs/dbraw/zinc/10/11/71/858101171.db2.gz ONKRRXNHUNILAA-UHFFFAOYSA-N 2 2 321.384 1.048 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)C1 ZINC001073101503 858101174 /nfs/dbraw/zinc/10/11/74/858101174.db2.gz ONKRRXNHUNILAA-UHFFFAOYSA-N 2 2 321.384 1.048 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224796921 881541424 /nfs/dbraw/zinc/54/14/24/881541424.db2.gz VFPZYPIQFZASAY-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224796921 881541435 /nfs/dbraw/zinc/54/14/35/881541435.db2.gz VFPZYPIQFZASAY-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093160 864405025 /nfs/dbraw/zinc/40/50/25/864405025.db2.gz UATGLEHGIGWRPY-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093160 864405032 /nfs/dbraw/zinc/40/50/32/864405032.db2.gz UATGLEHGIGWRPY-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001381448836 881806501 /nfs/dbraw/zinc/80/65/01/881806501.db2.gz ODDGRHWABHAQIK-ZIAGYGMSSA-N 2 2 311.389 1.438 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001159528413 865380203 /nfs/dbraw/zinc/38/02/03/865380203.db2.gz XZFFDOMMQLWPJU-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001159528413 865380218 /nfs/dbraw/zinc/38/02/18/865380218.db2.gz XZFFDOMMQLWPJU-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001332098822 865575908 /nfs/dbraw/zinc/57/59/08/865575908.db2.gz GNRDUZWRLYTQJG-RDJZCZTQSA-N 2 2 300.406 1.410 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001332098822 865575914 /nfs/dbraw/zinc/57/59/14/865575914.db2.gz GNRDUZWRLYTQJG-RDJZCZTQSA-N 2 2 300.406 1.410 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(CC#N)cc[nH+]1 ZINC001159925387 865600710 /nfs/dbraw/zinc/60/07/10/865600710.db2.gz JPKCLUZNTPCBGN-AWEZNQCLSA-N 2 2 302.378 1.786 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543451 865925765 /nfs/dbraw/zinc/92/57/65/865925765.db2.gz ALDGPIYHNNRRLG-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543451 865925772 /nfs/dbraw/zinc/92/57/72/865925772.db2.gz ALDGPIYHNNRRLG-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001332741047 866109157 /nfs/dbraw/zinc/10/91/57/866109157.db2.gz RYLAGQSJZABSOD-UHFFFAOYSA-N 2 2 304.438 1.855 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001323312432 866522483 /nfs/dbraw/zinc/52/24/83/866522483.db2.gz ZDUYCSBQNFAFMK-SFHVURJKSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001323312432 866522487 /nfs/dbraw/zinc/52/24/87/866522487.db2.gz ZDUYCSBQNFAFMK-SFHVURJKSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001323312432 866522497 /nfs/dbraw/zinc/52/24/97/866522497.db2.gz ZDUYCSBQNFAFMK-SFHVURJKSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001323312432 866522506 /nfs/dbraw/zinc/52/25/06/866522506.db2.gz ZDUYCSBQNFAFMK-SFHVURJKSA-N 2 2 315.461 1.928 20 30 DDEDLP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945071 867649855 /nfs/dbraw/zinc/64/98/55/867649855.db2.gz WATBBTGHPSAOPG-CRAIPNDOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945071 867649865 /nfs/dbraw/zinc/64/98/65/867649865.db2.gz WATBBTGHPSAOPG-CRAIPNDOSA-N 2 2 316.449 1.850 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)c12 ZINC001163134498 868144490 /nfs/dbraw/zinc/14/44/90/868144490.db2.gz XJLBTUNAWDBTNN-UHFFFAOYSA-N 2 2 320.400 1.981 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779334 869136646 /nfs/dbraw/zinc/13/66/46/869136646.db2.gz JAVOERQKTQSWTR-ZBFHGGJFSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779334 869136647 /nfs/dbraw/zinc/13/66/47/869136647.db2.gz JAVOERQKTQSWTR-ZBFHGGJFSA-N 2 2 303.406 1.229 20 30 DDEDLP Cc1[nH+]c2c(n1-c1ncc3c(c1C#N)CCC[NH2+]C3)CC[NH2+]CC2 ZINC001165352043 869537869 /nfs/dbraw/zinc/53/78/69/869537869.db2.gz MHJKFNHMJVAERQ-UHFFFAOYSA-N 3 2 322.416 1.171 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317042337 870154794 /nfs/dbraw/zinc/15/47/94/870154794.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317042337 870154800 /nfs/dbraw/zinc/15/48/00/870154800.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317042337 870154806 /nfs/dbraw/zinc/15/48/06/870154806.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317042337 870154811 /nfs/dbraw/zinc/15/48/11/870154811.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001317048755 870163904 /nfs/dbraw/zinc/16/39/04/870163904.db2.gz BLXNPIPQAALZMJ-CALCHBBNSA-N 2 2 314.433 1.670 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001317048755 870163912 /nfs/dbraw/zinc/16/39/12/870163912.db2.gz BLXNPIPQAALZMJ-CALCHBBNSA-N 2 2 314.433 1.670 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317150573 870369124 /nfs/dbraw/zinc/36/91/24/870369124.db2.gz CMSGMBVTBBZNNE-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203806606 870769929 /nfs/dbraw/zinc/76/99/29/870769929.db2.gz IEHNEZDYXGZEAE-KRWDZBQOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203950761 870849300 /nfs/dbraw/zinc/84/93/00/870849300.db2.gz PDCFGPCXDZCLPK-QGZVFWFLSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001340076618 870877954 /nfs/dbraw/zinc/87/79/54/870877954.db2.gz IGZDAFFWEBOLQC-CQSZACIVSA-N 2 2 301.390 1.241 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761026 871473182 /nfs/dbraw/zinc/47/31/82/871473182.db2.gz COVQGWFOQDEEBF-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761026 871473191 /nfs/dbraw/zinc/47/31/91/871473191.db2.gz COVQGWFOQDEEBF-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947319 872443127 /nfs/dbraw/zinc/44/31/27/872443127.db2.gz KEGAZYCCJJURKO-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947319 872443139 /nfs/dbraw/zinc/44/31/39/872443139.db2.gz KEGAZYCCJJURKO-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001319362522 872597749 /nfs/dbraw/zinc/59/77/49/872597749.db2.gz HNZSRPFFRBMXSU-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435853 874138992 /nfs/dbraw/zinc/13/89/92/874138992.db2.gz OVSSRBMPADTZRX-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447823 874149057 /nfs/dbraw/zinc/14/90/57/874149057.db2.gz QZFDYOZWKPEORQ-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209158541 874698506 /nfs/dbraw/zinc/69/85/06/874698506.db2.gz RDJPHVYEPYTXPM-HUUCEWRRSA-N 2 2 302.422 1.466 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209158541 874698508 /nfs/dbraw/zinc/69/85/08/874698508.db2.gz RDJPHVYEPYTXPM-HUUCEWRRSA-N 2 2 302.422 1.466 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511391 876738610 /nfs/dbraw/zinc/73/86/10/876738610.db2.gz KBEGZKYSWFOHQQ-VNHYZAJKSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855644 876817415 /nfs/dbraw/zinc/81/74/15/876817415.db2.gz UZRSQTJEGJBJBI-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855644 876817420 /nfs/dbraw/zinc/81/74/20/876817420.db2.gz UZRSQTJEGJBJBI-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP N#Cc1nc2ccc(NC(=O)C[NH2+]C3CC[NH2+]CC3)cc2s1 ZINC001218910968 877802812 /nfs/dbraw/zinc/80/28/12/877802812.db2.gz UCACZCQSYKIPER-UHFFFAOYSA-N 2 2 315.402 1.448 20 30 DDEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220663157 879168181 /nfs/dbraw/zinc/16/81/81/879168181.db2.gz ABAMTRDDHLNVBB-CYBMUJFWSA-N 2 2 303.406 1.510 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220663836 879168664 /nfs/dbraw/zinc/16/86/64/879168664.db2.gz OWQOGWHXZUAWPO-DEYYWGMASA-N 2 2 315.417 1.380 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408297 883484626 /nfs/dbraw/zinc/48/46/26/883484626.db2.gz QKXVXOIFBMXYEI-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230018862 884279231 /nfs/dbraw/zinc/27/92/31/884279231.db2.gz HQTCZDFYDUTJGA-HZPDHXFCSA-N 2 2 302.422 1.393 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001363215936 885734761 /nfs/dbraw/zinc/73/47/61/885734761.db2.gz LYGXVWWSOJEGSO-GJZGRUSLSA-N 2 2 302.422 1.729 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001363215936 885734770 /nfs/dbraw/zinc/73/47/70/885734770.db2.gz LYGXVWWSOJEGSO-GJZGRUSLSA-N 2 2 302.422 1.729 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346497 887889985 /nfs/dbraw/zinc/88/99/85/887889985.db2.gz WLHJWLHKHAGUPZ-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346497 887889995 /nfs/dbraw/zinc/88/99/95/887889995.db2.gz WLHJWLHKHAGUPZ-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635919 888828450 /nfs/dbraw/zinc/82/84/50/888828450.db2.gz ZYOQQYASZXYZLV-HLLBOEOZSA-N 2 2 310.438 1.537 20 30 DDEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635919 888828465 /nfs/dbraw/zinc/82/84/65/888828465.db2.gz ZYOQQYASZXYZLV-HLLBOEOZSA-N 2 2 310.438 1.537 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246009330 892325560 /nfs/dbraw/zinc/32/55/60/892325560.db2.gz SQNRCACGFPUFGD-RDJZCZTQSA-N 2 2 306.406 1.364 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CCC2 ZINC001254664580 896561929 /nfs/dbraw/zinc/56/19/29/896561929.db2.gz ITHNFEDNPRIWKI-ZFWWWQNUSA-N 2 2 315.421 1.203 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CCC2 ZINC001254664580 896561942 /nfs/dbraw/zinc/56/19/42/896561942.db2.gz ITHNFEDNPRIWKI-ZFWWWQNUSA-N 2 2 315.421 1.203 20 30 DDEDLP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CC1 ZINC001390811887 900249887 /nfs/dbraw/zinc/24/98/87/900249887.db2.gz OXQGBCNNDBWSEZ-UHFFFAOYSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001390811887 900249900 /nfs/dbraw/zinc/24/99/00/900249900.db2.gz OXQGBCNNDBWSEZ-UHFFFAOYSA-N 2 2 314.433 1.448 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001264427783 901114680 /nfs/dbraw/zinc/11/46/80/901114680.db2.gz DKBWOKYEMICUGS-SHTZXODSSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CC[N@H+](CC)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265114702 901580232 /nfs/dbraw/zinc/58/02/32/901580232.db2.gz LHXAEAVPERIYLQ-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=CC[N@@H+](CC)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265114702 901580240 /nfs/dbraw/zinc/58/02/40/901580240.db2.gz LHXAEAVPERIYLQ-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265436293 902014387 /nfs/dbraw/zinc/01/43/87/902014387.db2.gz DDMJBROEIAHGQV-HNNXBMFYSA-N 2 2 320.437 1.320 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266010041 902748061 /nfs/dbraw/zinc/74/80/61/902748061.db2.gz CSPCXISSNCMRLS-GOEBONIOSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266222959 903140920 /nfs/dbraw/zinc/14/09/20/903140920.db2.gz HIVJTIQLKBPFRQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266222959 903140927 /nfs/dbraw/zinc/14/09/27/903140927.db2.gz HIVJTIQLKBPFRQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282230366 905631094 /nfs/dbraw/zinc/63/10/94/905631094.db2.gz VNHBVQUOHWZNIR-CABCVRRESA-N 2 2 324.428 1.795 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283510503 907501097 /nfs/dbraw/zinc/50/10/97/907501097.db2.gz ZWWCJOOJNBLSBX-RDJZCZTQSA-N 2 2 314.433 1.295 20 30 DDEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393984182 908456007 /nfs/dbraw/zinc/45/60/07/908456007.db2.gz LWKJXABBGAAXJL-OLZOCXBDSA-N 2 2 311.389 1.507 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001284603612 909238914 /nfs/dbraw/zinc/23/89/14/909238914.db2.gz JDFXWXBIMXXURD-HOCLYGCPSA-N 2 2 316.449 1.589 20 30 DDEDLP CC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000341893286 529385061 /nfs/dbraw/zinc/38/50/61/529385061.db2.gz GWJUCRNGPWXTLB-WNRNVDISSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000341893286 529385062 /nfs/dbraw/zinc/38/50/62/529385062.db2.gz GWJUCRNGPWXTLB-WNRNVDISSA-N 2 2 308.466 1.988 20 30 DDEDLP C[NH+]1CCC(C)(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330276337 530048137 /nfs/dbraw/zinc/04/81/37/530048137.db2.gz MTFVYQIXFSMTRQ-CYBMUJFWSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330276337 530048138 /nfs/dbraw/zinc/04/81/38/530048138.db2.gz MTFVYQIXFSMTRQ-CYBMUJFWSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCCC#N)C2)CC1 ZINC000588362497 354918855 /nfs/dbraw/zinc/91/88/55/354918855.db2.gz FXCPQOSUCJXZKC-HNNXBMFYSA-N 2 2 306.454 1.745 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCCC#N)C2)CC1 ZINC000588362497 354918859 /nfs/dbraw/zinc/91/88/59/354918859.db2.gz FXCPQOSUCJXZKC-HNNXBMFYSA-N 2 2 306.454 1.745 20 30 DDEDLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1C#N ZINC000594518357 356241714 /nfs/dbraw/zinc/24/17/14/356241714.db2.gz GLHXBQSJBDLLOY-KRWDZBQOSA-N 2 2 315.417 1.910 20 30 DDEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000594722479 356297080 /nfs/dbraw/zinc/29/70/80/356297080.db2.gz QUTNMVDOMNMQLC-INIZCTEOSA-N 2 2 303.406 1.611 20 30 DDEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595493715 356516949 /nfs/dbraw/zinc/51/69/49/356516949.db2.gz IEEUFTZXCDXQBH-UHFFFAOYSA-N 2 2 301.375 1.661 20 30 DDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595493715 356516951 /nfs/dbraw/zinc/51/69/51/356516951.db2.gz IEEUFTZXCDXQBH-UHFFFAOYSA-N 2 2 301.375 1.661 20 30 DDEDLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000599164508 357835463 /nfs/dbraw/zinc/83/54/63/357835463.db2.gz FTGZFQHLWPDZOW-OAHLLOKOSA-N 2 2 317.437 1.448 20 30 DDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678531 358021926 /nfs/dbraw/zinc/02/19/26/358021926.db2.gz SQPZPJDMGQMGIM-QGZVFWFLSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678531 358021928 /nfs/dbraw/zinc/02/19/28/358021928.db2.gz SQPZPJDMGQMGIM-QGZVFWFLSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678531 358021931 /nfs/dbraw/zinc/02/19/31/358021931.db2.gz SQPZPJDMGQMGIM-QGZVFWFLSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678531 358021933 /nfs/dbraw/zinc/02/19/33/358021933.db2.gz SQPZPJDMGQMGIM-QGZVFWFLSA-N 2 2 301.434 1.812 20 30 DDEDLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271849994 209266905 /nfs/dbraw/zinc/26/69/05/209266905.db2.gz IMBOCESWLUVIQC-KRWDZBQOSA-N 2 2 303.406 1.120 20 30 DDEDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242843 304132200 /nfs/dbraw/zinc/13/22/00/304132200.db2.gz MXDCANSXQKGPFX-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242843 304132201 /nfs/dbraw/zinc/13/22/01/304132201.db2.gz MXDCANSXQKGPFX-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242843 304132203 /nfs/dbraw/zinc/13/22/03/304132203.db2.gz MXDCANSXQKGPFX-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242843 304132204 /nfs/dbraw/zinc/13/22/04/304132204.db2.gz MXDCANSXQKGPFX-ZBFHGGJFSA-N 2 2 310.405 1.517 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000101600831 248243544 /nfs/dbraw/zinc/24/35/44/248243544.db2.gz KURCMBURLZLXPI-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000101600831 248243549 /nfs/dbraw/zinc/24/35/49/248243549.db2.gz KURCMBURLZLXPI-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000567892963 304253042 /nfs/dbraw/zinc/25/30/42/304253042.db2.gz YPTBYDOPZREQIN-IBGZPJMESA-N 2 2 322.412 1.733 20 30 DDEDLP Cc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000567892963 304253043 /nfs/dbraw/zinc/25/30/43/304253043.db2.gz YPTBYDOPZREQIN-IBGZPJMESA-N 2 2 322.412 1.733 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2nc3ccccn3c2C#N)CC1 ZINC000272889197 210278976 /nfs/dbraw/zinc/27/89/76/210278976.db2.gz JGPSHEYBHLIWNZ-UHFFFAOYSA-N 2 2 312.421 1.644 20 30 DDEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329692930 533590730 /nfs/dbraw/zinc/59/07/30/533590730.db2.gz AQCZRTFXMMTEBA-OCCSQVGLSA-N 2 2 319.453 1.843 20 30 DDEDLP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329692930 533590737 /nfs/dbraw/zinc/59/07/37/533590737.db2.gz AQCZRTFXMMTEBA-OCCSQVGLSA-N 2 2 319.453 1.843 20 30 DDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075860180 406944939 /nfs/dbraw/zinc/94/49/39/406944939.db2.gz LBLUXGLWJOANDI-DOTOQJQBSA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075860180 406944940 /nfs/dbraw/zinc/94/49/40/406944940.db2.gz LBLUXGLWJOANDI-DOTOQJQBSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075860180 406944941 /nfs/dbraw/zinc/94/49/41/406944941.db2.gz LBLUXGLWJOANDI-DOTOQJQBSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075860180 406944944 /nfs/dbraw/zinc/94/49/44/406944944.db2.gz LBLUXGLWJOANDI-DOTOQJQBSA-N 2 2 306.454 1.601 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1C#N ZINC000090224229 407166509 /nfs/dbraw/zinc/16/65/09/407166509.db2.gz UFFSYBLKPAEAMK-SJORKVTESA-N 2 2 315.417 1.910 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1C#N ZINC000090224229 407166511 /nfs/dbraw/zinc/16/65/11/407166511.db2.gz UFFSYBLKPAEAMK-SJORKVTESA-N 2 2 315.417 1.910 20 30 DDEDLP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCOCC1 ZINC000170910232 407550693 /nfs/dbraw/zinc/55/06/93/407550693.db2.gz YXPDTBZJOPPIDH-HNNXBMFYSA-N 2 2 319.453 1.945 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266778741 407630996 /nfs/dbraw/zinc/63/09/96/407630996.db2.gz URBHSXQXDXPFPT-UHFFFAOYSA-N 2 2 323.400 1.777 20 30 DDEDLP CNC(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)=[NH+]C ZINC000268734219 408181501 /nfs/dbraw/zinc/18/15/01/408181501.db2.gz VARPVSAMJLDXOX-UHFFFAOYSA-N 2 2 309.845 1.257 20 30 DDEDLP C[NH+]=C(NCc1ccn(C)c1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160110867 408458002 /nfs/dbraw/zinc/45/80/02/408458002.db2.gz XSDANKRENFSMKY-GDBMZVCRSA-N 2 2 314.437 1.880 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1[nH+]ccn1C)C(C)C ZINC000264235175 408414530 /nfs/dbraw/zinc/41/45/30/408414530.db2.gz WEKLBRDJKMMPOE-HNNXBMFYSA-N 2 2 319.453 1.918 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000353311703 410914310 /nfs/dbraw/zinc/91/43/10/410914310.db2.gz GCOASRDYGBAWHG-UHFFFAOYSA-N 2 2 315.408 1.730 20 30 DDEDLP C[NH+]=C(NCc1nccn1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261988175 222266119 /nfs/dbraw/zinc/26/61/19/222266119.db2.gz QREGJPGVLSPXAS-KBPBESRZSA-N 2 2 315.425 1.275 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000328599056 418606117 /nfs/dbraw/zinc/60/61/17/418606117.db2.gz BQBBPGOOAQIKPN-LSDHHAIUSA-N 2 2 315.421 1.621 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264067101 222312784 /nfs/dbraw/zinc/31/27/84/222312784.db2.gz BPYBSZDWQAYMRR-NSHDSACASA-N 2 2 302.382 1.015 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000264094680 222317326 /nfs/dbraw/zinc/31/73/26/222317326.db2.gz MBEHXUDNOWRVPS-CQSZACIVSA-N 2 2 301.438 1.264 20 30 DDEDLP CCCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264104334 222318747 /nfs/dbraw/zinc/31/87/47/222318747.db2.gz NJBOPXZNXPYQLG-ZDUSSCGKSA-N 2 2 308.426 1.621 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1C#N ZINC000370231492 418742345 /nfs/dbraw/zinc/74/23/45/418742345.db2.gz SEXVECIBFWWBBR-IRXDYDNUSA-N 2 2 315.417 1.910 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1C#N ZINC000370231492 418742346 /nfs/dbraw/zinc/74/23/46/418742346.db2.gz SEXVECIBFWWBBR-IRXDYDNUSA-N 2 2 315.417 1.910 20 30 DDEDLP C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370296352 418742552 /nfs/dbraw/zinc/74/25/52/418742552.db2.gz ZJNKJYDSRPXVBB-HUUCEWRRSA-N 2 2 308.470 1.809 20 30 DDEDLP C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370296352 418742553 /nfs/dbraw/zinc/74/25/53/418742553.db2.gz ZJNKJYDSRPXVBB-HUUCEWRRSA-N 2 2 308.470 1.809 20 30 DDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000362037897 418743291 /nfs/dbraw/zinc/74/32/91/418743291.db2.gz JTVUFOZXQASPAW-TWMKSMIVSA-N 2 2 309.454 1.784 20 30 DDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000362037897 418743292 /nfs/dbraw/zinc/74/32/92/418743292.db2.gz JTVUFOZXQASPAW-TWMKSMIVSA-N 2 2 309.454 1.784 20 30 DDEDLP CC(C)CC[N@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362174314 418750193 /nfs/dbraw/zinc/75/01/93/418750193.db2.gz WLTHUHHNIOEGFP-UHFFFAOYSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)CC[N@@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362174314 418750196 /nfs/dbraw/zinc/75/01/96/418750196.db2.gz WLTHUHHNIOEGFP-UHFFFAOYSA-N 2 2 320.481 1.991 20 30 DDEDLP C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363687310 418769116 /nfs/dbraw/zinc/76/91/16/418769116.db2.gz OFPRRMJQLHMHTN-MAUKXSAKSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363687310 418769119 /nfs/dbraw/zinc/76/91/19/418769119.db2.gz OFPRRMJQLHMHTN-MAUKXSAKSA-N 2 2 323.481 1.500 20 30 DDEDLP CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364055064 418773107 /nfs/dbraw/zinc/77/31/07/418773107.db2.gz JFVQOEKTMIZZOJ-KRWDZBQOSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364055064 418773110 /nfs/dbraw/zinc/77/31/10/418773110.db2.gz JFVQOEKTMIZZOJ-KRWDZBQOSA-N 2 2 305.466 1.807 20 30 DDEDLP C[NH+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000365244520 418845050 /nfs/dbraw/zinc/84/50/50/418845050.db2.gz JRVOPVWTFMXMDC-INIZCTEOSA-N 2 2 318.490 1.931 20 30 DDEDLP C[NH+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000365244520 418845053 /nfs/dbraw/zinc/84/50/53/418845053.db2.gz JRVOPVWTFMXMDC-INIZCTEOSA-N 2 2 318.490 1.931 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000421330323 419570524 /nfs/dbraw/zinc/57/05/24/419570524.db2.gz XGHNKVMZELQLJL-HNNXBMFYSA-N 2 2 304.369 1.127 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000421330323 419570530 /nfs/dbraw/zinc/57/05/30/419570530.db2.gz XGHNKVMZELQLJL-HNNXBMFYSA-N 2 2 304.369 1.127 20 30 DDEDLP C=C[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000489495456 421159847 /nfs/dbraw/zinc/15/98/47/421159847.db2.gz JHLYGCTZAMLVBU-IRXDYDNUSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000489495456 421159849 /nfs/dbraw/zinc/15/98/49/421159849.db2.gz JHLYGCTZAMLVBU-IRXDYDNUSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000489495456 421159852 /nfs/dbraw/zinc/15/98/52/421159852.db2.gz JHLYGCTZAMLVBU-IRXDYDNUSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000489495456 421159856 /nfs/dbraw/zinc/15/98/56/421159856.db2.gz JHLYGCTZAMLVBU-IRXDYDNUSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[C@@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573206634 421932197 /nfs/dbraw/zinc/93/21/97/421932197.db2.gz HRZDVJOTTGNNFX-HOTGVXAUSA-N 2 2 317.433 1.931 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000581892704 422063499 /nfs/dbraw/zinc/06/34/99/422063499.db2.gz UGDBLVNCQNOGGK-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000581892704 422063505 /nfs/dbraw/zinc/06/35/05/422063505.db2.gz UGDBLVNCQNOGGK-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000527048390 336281034 /nfs/dbraw/zinc/28/10/34/336281034.db2.gz AEDKPMYWQHAALS-LBPRGKRZSA-N 2 2 301.394 1.540 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433166 341293528 /nfs/dbraw/zinc/29/35/28/341293528.db2.gz OZWQFLFETAKFEV-JKSUJKDBSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433166 341293529 /nfs/dbraw/zinc/29/35/29/341293529.db2.gz OZWQFLFETAKFEV-JKSUJKDBSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433166 341293530 /nfs/dbraw/zinc/29/35/30/341293530.db2.gz OZWQFLFETAKFEV-JKSUJKDBSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433166 341293531 /nfs/dbraw/zinc/29/35/31/341293531.db2.gz OZWQFLFETAKFEV-JKSUJKDBSA-N 2 2 319.453 1.304 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663303645 484792909 /nfs/dbraw/zinc/79/29/09/484792909.db2.gz IMWKVGZTIZZAPJ-RDJZCZTQSA-N 2 2 321.465 1.418 20 30 DDEDLP COc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1C#N ZINC000423129296 533895300 /nfs/dbraw/zinc/89/53/00/533895300.db2.gz WWJNSFBINDONCA-IRXDYDNUSA-N 2 2 301.390 1.423 20 30 DDEDLP C#CC[N@H+](C)CCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000491067971 526802294 /nfs/dbraw/zinc/80/22/94/526802294.db2.gz LXGPHTZURWOCJK-UHFFFAOYSA-N 2 2 309.417 1.944 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000491067971 526802305 /nfs/dbraw/zinc/80/23/05/526802305.db2.gz LXGPHTZURWOCJK-UHFFFAOYSA-N 2 2 309.417 1.944 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619461 695301025 /nfs/dbraw/zinc/30/10/25/695301025.db2.gz QQYNXDORFSUMIN-MRXNPFEDSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619461 695301027 /nfs/dbraw/zinc/30/10/27/695301027.db2.gz QQYNXDORFSUMIN-MRXNPFEDSA-N 2 2 323.400 1.557 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC000974683741 695711380 /nfs/dbraw/zinc/71/13/80/695711380.db2.gz DUASSUVXHQBYIJ-HOTGVXAUSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C ZINC000974683741 695711382 /nfs/dbraw/zinc/71/13/82/695711382.db2.gz DUASSUVXHQBYIJ-HOTGVXAUSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(C)C)CC1(C)C ZINC000974683741 695711384 /nfs/dbraw/zinc/71/13/84/695711384.db2.gz DUASSUVXHQBYIJ-HOTGVXAUSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(C)C)CC1(C)C ZINC000974683741 695711385 /nfs/dbraw/zinc/71/13/85/695711385.db2.gz DUASSUVXHQBYIJ-HOTGVXAUSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738882 695722897 /nfs/dbraw/zinc/72/28/97/695722897.db2.gz DPYYYFJBROOKPA-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738882 695722899 /nfs/dbraw/zinc/72/28/99/695722899.db2.gz DPYYYFJBROOKPA-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974763584 695729045 /nfs/dbraw/zinc/72/90/45/695729045.db2.gz IFIRUJGGHITBQY-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974763584 695729046 /nfs/dbraw/zinc/72/90/46/695729046.db2.gz IFIRUJGGHITBQY-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449674 696167586 /nfs/dbraw/zinc/16/75/86/696167586.db2.gz CGDPBOWEGKFRNS-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449674 696167587 /nfs/dbraw/zinc/16/75/87/696167587.db2.gz CGDPBOWEGKFRNS-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000104158970 696618875 /nfs/dbraw/zinc/61/88/75/696618875.db2.gz IOFRATWQEYOBHK-KBPBESRZSA-N 2 2 314.474 1.205 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851228 696942763 /nfs/dbraw/zinc/94/27/63/696942763.db2.gz KCUJGIRBMHOMNO-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851228 696942765 /nfs/dbraw/zinc/94/27/65/696942765.db2.gz KCUJGIRBMHOMNO-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021529 697005977 /nfs/dbraw/zinc/00/59/77/697005977.db2.gz GBHRFFWWLISZJB-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021529 697005980 /nfs/dbraw/zinc/00/59/80/697005980.db2.gz GBHRFFWWLISZJB-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982041802 697012176 /nfs/dbraw/zinc/01/21/76/697012176.db2.gz AHSPHMUIVZONOU-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982041802 697012178 /nfs/dbraw/zinc/01/21/78/697012178.db2.gz AHSPHMUIVZONOU-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208882 697035140 /nfs/dbraw/zinc/03/51/40/697035140.db2.gz CDZPUPGLJFLAGJ-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208882 697035142 /nfs/dbraw/zinc/03/51/42/697035142.db2.gz CDZPUPGLJFLAGJ-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000985558025 697529852 /nfs/dbraw/zinc/52/98/52/697529852.db2.gz IJVFRJUNJBJIEP-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000985558025 697529849 /nfs/dbraw/zinc/52/98/49/697529849.db2.gz IJVFRJUNJBJIEP-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000985558025 697529850 /nfs/dbraw/zinc/52/98/50/697529850.db2.gz IJVFRJUNJBJIEP-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000985558025 697529854 /nfs/dbraw/zinc/52/98/54/697529854.db2.gz IJVFRJUNJBJIEP-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000987298252 698074969 /nfs/dbraw/zinc/07/49/69/698074969.db2.gz GDNDGYVMAINQGP-RHSMWYFYSA-N 2 2 308.385 1.698 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565182 698152346 /nfs/dbraw/zinc/15/23/46/698152346.db2.gz DMQXUXYTRGMUME-ZFWWWQNUSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565182 698152348 /nfs/dbraw/zinc/15/23/48/698152348.db2.gz DMQXUXYTRGMUME-ZFWWWQNUSA-N 2 2 317.458 1.318 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991118127 699238879 /nfs/dbraw/zinc/23/88/79/699238879.db2.gz MGJHLTRVOGTDNZ-GZOSKZMVSA-N 2 2 312.417 1.650 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991118127 699238882 /nfs/dbraw/zinc/23/88/82/699238882.db2.gz MGJHLTRVOGTDNZ-GZOSKZMVSA-N 2 2 312.417 1.650 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000730284194 699506796 /nfs/dbraw/zinc/50/67/96/699506796.db2.gz LNXTVMNPDRJALA-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000730284194 699506797 /nfs/dbraw/zinc/50/67/97/699506797.db2.gz LNXTVMNPDRJALA-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC ZINC000730284194 699506798 /nfs/dbraw/zinc/50/67/98/699506798.db2.gz LNXTVMNPDRJALA-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC ZINC000730284194 699506799 /nfs/dbraw/zinc/50/67/99/699506799.db2.gz LNXTVMNPDRJALA-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C=CCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771555411 701323113 /nfs/dbraw/zinc/32/31/13/701323113.db2.gz MLGVSTIQEAGQEV-UHFFFAOYSA-N 2 2 317.462 1.422 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000867999207 701882709 /nfs/dbraw/zinc/88/27/09/701882709.db2.gz VCJNLDJWTFQQKY-CVEARBPZSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000867999207 701882715 /nfs/dbraw/zinc/88/27/15/701882715.db2.gz VCJNLDJWTFQQKY-CVEARBPZSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000867999209 701882756 /nfs/dbraw/zinc/88/27/56/701882756.db2.gz VCJNLDJWTFQQKY-HZPDHXFCSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000867999209 701882763 /nfs/dbraw/zinc/88/27/63/701882763.db2.gz VCJNLDJWTFQQKY-HZPDHXFCSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000867999210 701882895 /nfs/dbraw/zinc/88/28/95/701882895.db2.gz VCJNLDJWTFQQKY-JKSUJKDBSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000867999210 701882901 /nfs/dbraw/zinc/88/29/01/701882901.db2.gz VCJNLDJWTFQQKY-JKSUJKDBSA-N 2 2 300.406 1.701 20 30 DDEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000848536384 703561920 /nfs/dbraw/zinc/56/19/20/703561920.db2.gz RBDFOHYFJSRYIX-KRWDZBQOSA-N 2 2 315.417 1.910 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877480358 706119026 /nfs/dbraw/zinc/11/90/26/706119026.db2.gz SIYKMJMCJHPHOW-MRXNPFEDSA-N 2 2 302.418 1.851 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877480358 706119027 /nfs/dbraw/zinc/11/90/27/706119027.db2.gz SIYKMJMCJHPHOW-MRXNPFEDSA-N 2 2 302.418 1.851 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132935 708967139 /nfs/dbraw/zinc/96/71/39/708967139.db2.gz QHNACFKGSLGBJF-OAHLLOKOSA-N 2 2 315.421 1.354 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132935 708967140 /nfs/dbraw/zinc/96/71/40/708967140.db2.gz QHNACFKGSLGBJF-OAHLLOKOSA-N 2 2 315.421 1.354 20 30 DDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902775747 710897687 /nfs/dbraw/zinc/89/76/87/710897687.db2.gz ARQHVQFSLKCKNV-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccnc1 ZINC000905550439 712074560 /nfs/dbraw/zinc/07/45/60/712074560.db2.gz IUZNRIZYZWDAFN-HOTGVXAUSA-N 2 2 302.422 1.719 20 30 DDEDLP C#CCN(C(=O)NCCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000913835898 713308213 /nfs/dbraw/zinc/30/82/13/713308213.db2.gz AGTQPUQPQGJNDL-UHFFFAOYSA-N 2 2 303.410 1.012 20 30 DDEDLP C=CC[C@H]1CC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934473713 714828915 /nfs/dbraw/zinc/82/89/15/714828915.db2.gz YYGOASOOQOKVHD-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[C@H]1CC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934473713 714828918 /nfs/dbraw/zinc/82/89/18/714828918.db2.gz YYGOASOOQOKVHD-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[C@H]1CC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934473713 714828919 /nfs/dbraw/zinc/82/89/19/714828919.db2.gz YYGOASOOQOKVHD-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[C@H]1CC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934473713 714828921 /nfs/dbraw/zinc/82/89/21/714828921.db2.gz YYGOASOOQOKVHD-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926413144 715062599 /nfs/dbraw/zinc/06/25/99/715062599.db2.gz YQLMHPHLILGNPK-HNSVSWJLSA-N 2 2 320.481 1.988 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926413144 715062600 /nfs/dbraw/zinc/06/26/00/715062600.db2.gz YQLMHPHLILGNPK-HNSVSWJLSA-N 2 2 320.481 1.988 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844259 716987153 /nfs/dbraw/zinc/98/71/53/716987153.db2.gz FXAMPMKDRCHPFR-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844259 716987158 /nfs/dbraw/zinc/98/71/58/716987158.db2.gz FXAMPMKDRCHPFR-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 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302.422 1.488 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363794 734358446 /nfs/dbraw/zinc/35/84/46/734358446.db2.gz IKEMTVULXRJFOF-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104365240 734373134 /nfs/dbraw/zinc/37/31/34/734373134.db2.gz AUAJVZYBSUHMAA-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022311874 734481063 /nfs/dbraw/zinc/48/10/63/734481063.db2.gz ZDORUPBLSWDNAL-UPJWGTAASA-N 2 2 308.813 1.435 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250251 734984847 /nfs/dbraw/zinc/98/48/47/734984847.db2.gz YXGMKFOFXMIWEE-NVXWUHKLSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250251 734984849 /nfs/dbraw/zinc/98/48/49/734984849.db2.gz YXGMKFOFXMIWEE-NVXWUHKLSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250251 734984850 /nfs/dbraw/zinc/98/48/50/734984850.db2.gz YXGMKFOFXMIWEE-NVXWUHKLSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250251 734984853 /nfs/dbraw/zinc/98/48/53/734984853.db2.gz YXGMKFOFXMIWEE-NVXWUHKLSA-N 2 2 303.450 1.465 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535246 735908566 /nfs/dbraw/zinc/90/85/66/735908566.db2.gz PGDAUMNGBSZUNY-MRXNPFEDSA-N 2 2 310.401 1.942 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535246 735908570 /nfs/dbraw/zinc/90/85/70/735908570.db2.gz PGDAUMNGBSZUNY-MRXNPFEDSA-N 2 2 310.401 1.942 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]12 ZINC001026401408 737485310 /nfs/dbraw/zinc/48/53/10/737485310.db2.gz WMPVDSJSIJEBSG-FVQBIDKESA-N 2 2 302.422 1.365 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980424 738904161 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1.485 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001107979593 751471025 /nfs/dbraw/zinc/47/10/25/751471025.db2.gz IQEPMTGMLFOTFH-HOCLYGCPSA-N 2 2 315.433 1.059 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001107979593 751471028 /nfs/dbraw/zinc/47/10/28/751471028.db2.gz IQEPMTGMLFOTFH-HOCLYGCPSA-N 2 2 315.433 1.059 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796674 740051753 /nfs/dbraw/zinc/05/17/53/740051753.db2.gz DPKFUYOAGNSTGG-KBPBESRZSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796674 740051758 /nfs/dbraw/zinc/05/17/58/740051758.db2.gz DPKFUYOAGNSTGG-KBPBESRZSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135480 741054652 /nfs/dbraw/zinc/05/46/52/741054652.db2.gz MUNBPPJJRZIILW-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135480 741054657 /nfs/dbraw/zinc/05/46/57/741054657.db2.gz MUNBPPJJRZIILW-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135480 741054659 /nfs/dbraw/zinc/05/46/59/741054659.db2.gz MUNBPPJJRZIILW-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135480 741054663 /nfs/dbraw/zinc/05/46/63/741054663.db2.gz MUNBPPJJRZIILW-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001037966139 751602333 /nfs/dbraw/zinc/60/23/33/751602333.db2.gz LAPFNHBYFRWMEB-HIFRSBDPSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001088337594 741410280 /nfs/dbraw/zinc/41/02/80/741410280.db2.gz JDEFBTXIAJHYKF-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075960890 742279192 /nfs/dbraw/zinc/27/91/92/742279192.db2.gz DWJRMGCJIVZJLL-OFQRWUPVSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075960890 742279195 /nfs/dbraw/zinc/27/91/95/742279195.db2.gz DWJRMGCJIVZJLL-OFQRWUPVSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203444893 751733603 /nfs/dbraw/zinc/73/36/03/751733603.db2.gz VVQIXVWCNVSASO-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](CC)OC)C1 ZINC001030024699 743689101 /nfs/dbraw/zinc/68/91/01/743689101.db2.gz ICGDOJGLSFGTMC-ZACQAIPSSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](CC)OC)C1 ZINC001030024699 743689103 /nfs/dbraw/zinc/68/91/03/743689103.db2.gz ICGDOJGLSFGTMC-ZACQAIPSSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](CC)OC)C1 ZINC001030024699 743689106 /nfs/dbraw/zinc/68/91/06/743689106.db2.gz ICGDOJGLSFGTMC-ZACQAIPSSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](CC)OC)C1 ZINC001030024699 743689108 /nfs/dbraw/zinc/68/91/08/743689108.db2.gz ICGDOJGLSFGTMC-ZACQAIPSSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)CC)C1 ZINC001030024694 743689179 /nfs/dbraw/zinc/68/91/79/743689179.db2.gz FCQKWFXPCOYCGX-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001030024694 743689180 /nfs/dbraw/zinc/68/91/80/743689180.db2.gz FCQKWFXPCOYCGX-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001030024694 743689185 /nfs/dbraw/zinc/68/91/85/743689185.db2.gz FCQKWFXPCOYCGX-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001030024694 743689187 /nfs/dbraw/zinc/68/91/87/743689187.db2.gz FCQKWFXPCOYCGX-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733996 743768392 /nfs/dbraw/zinc/76/83/92/743768392.db2.gz UYRYKEHFYMBPDS-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184534348 744055973 /nfs/dbraw/zinc/05/59/73/744055973.db2.gz KZZHMIBQNGJQOW-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184534348 744055976 /nfs/dbraw/zinc/05/59/76/744055976.db2.gz KZZHMIBQNGJQOW-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184653923 744078589 /nfs/dbraw/zinc/07/85/89/744078589.db2.gz UCIQQQMFZLYIBG-LSDHHAIUSA-N 2 2 317.433 1.893 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184851723 744105158 /nfs/dbraw/zinc/10/51/58/744105158.db2.gz OPBOBHXWIGDWOV-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185575870 744250339 /nfs/dbraw/zinc/25/03/39/744250339.db2.gz XITYTGBMZHZMPR-HIFRSBDPSA-N 2 2 304.438 1.911 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748532 744442217 /nfs/dbraw/zinc/44/22/17/744442217.db2.gz VKFOHDMQNYSHLG-MRXNPFEDSA-N 2 2 308.385 1.700 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992833720 745235891 /nfs/dbraw/zinc/23/58/91/745235891.db2.gz LUBZRDWCJXNWBP-AEGPPILISA-N 2 2 322.840 1.921 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989656 745397281 /nfs/dbraw/zinc/39/72/81/745397281.db2.gz SFZZYNQTWOZIPB-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989656 745397287 /nfs/dbraw/zinc/39/72/87/745397287.db2.gz SFZZYNQTWOZIPB-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340454 745613179 /nfs/dbraw/zinc/61/31/79/745613179.db2.gz YLNPRBWBAMNRDW-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498523 745752289 /nfs/dbraw/zinc/75/22/89/745752289.db2.gz AUJIFZREDYSWRK-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814553 746682889 /nfs/dbraw/zinc/68/28/89/746682889.db2.gz KSUIOLVUPFNJIC-HUUCEWRRSA-N 2 2 300.406 1.314 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381241 752118626 /nfs/dbraw/zinc/11/86/26/752118626.db2.gz CMMDFEBZGYFRSG-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381241 752118631 /nfs/dbraw/zinc/11/86/31/752118631.db2.gz CMMDFEBZGYFRSG-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCOCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283413 747129722 /nfs/dbraw/zinc/12/97/22/747129722.db2.gz MBMZWCBILKAHBQ-MRXNPFEDSA-N 2 2 320.437 1.571 20 30 DDEDLP 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309.454 1.110 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384274 756978800 /nfs/dbraw/zinc/97/88/00/756978800.db2.gz OEUFPSLTMFAGEP-AWEZNQCLSA-N 2 2 303.406 1.559 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384274 756978804 /nfs/dbraw/zinc/97/88/04/756978804.db2.gz OEUFPSLTMFAGEP-AWEZNQCLSA-N 2 2 303.406 1.559 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464643 757582933 /nfs/dbraw/zinc/58/29/33/757582933.db2.gz LVIITJIFABTJIX-QLFBSQMISA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464643 757582938 /nfs/dbraw/zinc/58/29/38/757582938.db2.gz LVIITJIFABTJIX-QLFBSQMISA-N 2 2 300.406 1.164 20 30 DDEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494623 762561344 /nfs/dbraw/zinc/56/13/44/762561344.db2.gz YCKUAOLHKBYLSQ-SFHVURJKSA-N 2 2 314.433 1.635 20 30 DDEDLP 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DDEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001329473807 863688144 /nfs/dbraw/zinc/68/81/44/863688144.db2.gz CQJYOGOVFWQHAD-HNNXBMFYSA-N 2 2 320.437 1.013 20 30 DDEDLP N#Cc1ccc2c(c1)CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001157936436 864284257 /nfs/dbraw/zinc/28/42/57/864284257.db2.gz FZSLUOOMJMFYIF-SFHVURJKSA-N 2 2 320.396 1.715 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997896 864295928 /nfs/dbraw/zinc/29/59/28/864295928.db2.gz COWOPQOJCYIYPX-MGPQQGTHSA-N 2 2 317.861 1.285 20 30 DDEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997896 864295939 /nfs/dbraw/zinc/29/59/39/864295939.db2.gz COWOPQOJCYIYPX-MGPQQGTHSA-N 2 2 317.861 1.285 20 30 DDEDLP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997896 864295950 /nfs/dbraw/zinc/29/59/50/864295950.db2.gz COWOPQOJCYIYPX-MGPQQGTHSA-N 2 2 317.861 1.285 20 30 DDEDLP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997896 864295961 /nfs/dbraw/zinc/29/59/61/864295961.db2.gz COWOPQOJCYIYPX-MGPQQGTHSA-N 2 2 317.861 1.285 20 30 DDEDLP C=CCOCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001331068487 864822808 /nfs/dbraw/zinc/82/28/08/864822808.db2.gz JGEXNLJQWQBMJN-UHFFFAOYSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCOCC[N@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001331068487 864822821 /nfs/dbraw/zinc/82/28/21/864822821.db2.gz JGEXNLJQWQBMJN-UHFFFAOYSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]1C ZINC001331894798 865418650 /nfs/dbraw/zinc/41/86/50/865418650.db2.gz DIICJJRZMWQQDF-UKRRQHHQSA-N 2 2 303.406 1.788 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001332162518 865625095 /nfs/dbraw/zinc/62/50/95/865625095.db2.gz XHUIJAQECSSKQE-BZUAXINKSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319758555 866272838 /nfs/dbraw/zinc/27/28/38/866272838.db2.gz NKGGVMFMQLOIQZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319758555 866272858 /nfs/dbraw/zinc/27/28/58/866272858.db2.gz NKGGVMFMQLOIQZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805663 867006357 /nfs/dbraw/zinc/00/63/57/867006357.db2.gz NJPBYHRLYNEFRP-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805663 867006362 /nfs/dbraw/zinc/00/63/62/867006362.db2.gz NJPBYHRLYNEFRP-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP C[NH+](C)C1(CNc2ncc3c(c2C#N)CCC3)CC[NH+](C)CC1 ZINC001164210708 869018481 /nfs/dbraw/zinc/01/84/81/869018481.db2.gz GWFLTMAROJPVNK-UHFFFAOYSA-N 2 2 313.449 1.880 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606802 870669120 /nfs/dbraw/zinc/66/91/20/870669120.db2.gz RBVPOTSHTXVNSG-HOTGVXAUSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317682431 871401515 /nfs/dbraw/zinc/40/15/15/871401515.db2.gz VIPYWKOGLQPKNE-OAHLLOKOSA-N 2 2 320.437 1.302 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CC)c1ccccc1 ZINC001317721855 871440896 /nfs/dbraw/zinc/44/08/96/871440896.db2.gz ZUJVSKSNJSHZGT-OALUTQOASA-N 2 2 323.440 1.554 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CC)c1ccccc1 ZINC001317721855 871440907 /nfs/dbraw/zinc/44/09/07/871440907.db2.gz ZUJVSKSNJSHZGT-OALUTQOASA-N 2 2 323.440 1.554 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842415 871579519 /nfs/dbraw/zinc/57/95/19/871579519.db2.gz QOKCKGPVHVEYHD-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317842415 871579525 /nfs/dbraw/zinc/57/95/25/871579525.db2.gz QOKCKGPVHVEYHD-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319622061 872722935 /nfs/dbraw/zinc/72/29/35/872722935.db2.gz XPFMYMFLSLCUGQ-CABCVRRESA-N 2 2 304.438 1.752 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614051 874326188 /nfs/dbraw/zinc/32/61/88/874326188.db2.gz CTZCVTDCLZULSD-LJQANCHMSA-N 3 2 320.525 1.620 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208614051 874326204 /nfs/dbraw/zinc/32/62/04/874326204.db2.gz CTZCVTDCLZULSD-LJQANCHMSA-N 3 2 320.525 1.620 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622696 874713926 /nfs/dbraw/zinc/71/39/26/874713926.db2.gz AZFOQUUSYFMDHM-IRXDYDNUSA-N 2 2 313.445 1.749 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622696 874713930 /nfs/dbraw/zinc/71/39/30/874713930.db2.gz AZFOQUUSYFMDHM-IRXDYDNUSA-N 2 2 313.445 1.749 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227166270 882889601 /nfs/dbraw/zinc/88/96/01/882889601.db2.gz VZTZBZGSCQNAJJ-ARFHVFGLSA-N 2 2 314.433 1.486 20 30 DDEDLP N#Cc1ccc(N2CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)nc1 ZINC001209729897 875082719 /nfs/dbraw/zinc/08/27/19/875082719.db2.gz AIIJIASBMOSPBU-UHFFFAOYSA-N 2 2 308.389 1.473 20 30 DDEDLP N#Cc1ccc(N2CCC[N@H+](Cc3c[nH+]ccc3N)CC2)nc1 ZINC001209729897 875082724 /nfs/dbraw/zinc/08/27/24/875082724.db2.gz AIIJIASBMOSPBU-UHFFFAOYSA-N 2 2 308.389 1.473 20 30 DDEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866179 875149727 /nfs/dbraw/zinc/14/97/27/875149727.db2.gz PKZIRZKDBSTZEB-HOTGVXAUSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977470 876118942 /nfs/dbraw/zinc/11/89/42/876118942.db2.gz HBCOASLQLXEMND-RBSFLKMASA-N 2 2 306.410 1.053 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977470 876118945 /nfs/dbraw/zinc/11/89/45/876118945.db2.gz HBCOASLQLXEMND-RBSFLKMASA-N 2 2 306.410 1.053 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005766 876538907 /nfs/dbraw/zinc/53/89/07/876538907.db2.gz HMWZVCMQQNJFBV-RBSFLKMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220663837 879168319 /nfs/dbraw/zinc/16/83/19/879168319.db2.gz OWQOGWHXZUAWPO-IYOUNJFTSA-N 2 2 315.417 1.380 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347666 884439627 /nfs/dbraw/zinc/43/96/27/884439627.db2.gz GQYARJQYRGJBPO-HUUCEWRRSA-N 2 2 306.410 1.103 20 30 DDEDLP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277661872 886348176 /nfs/dbraw/zinc/34/81/76/886348176.db2.gz CIVMLECJCYVQNU-GDBMZVCRSA-N 2 2 302.422 1.458 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001277702392 886542077 /nfs/dbraw/zinc/54/20/77/886542077.db2.gz KLEBDXSRZBDNQY-GOEBONIOSA-N 2 2 302.422 1.684 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402326 887940056 /nfs/dbraw/zinc/94/00/56/887940056.db2.gz KUKNTKYCOHZJOT-HOTGVXAUSA-N 2 2 316.449 1.953 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402326 887940060 /nfs/dbraw/zinc/94/00/60/887940060.db2.gz KUKNTKYCOHZJOT-HOTGVXAUSA-N 2 2 316.449 1.953 20 30 DDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235467782 888662907 /nfs/dbraw/zinc/66/29/07/888662907.db2.gz RRDYVTOGCBRUTE-YJBOKZPZSA-N 2 2 321.465 1.744 20 30 DDEDLP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235467782 888662912 /nfs/dbraw/zinc/66/29/12/888662912.db2.gz RRDYVTOGCBRUTE-YJBOKZPZSA-N 2 2 321.465 1.744 20 30 DDEDLP CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001364531921 888864424 /nfs/dbraw/zinc/86/44/24/888864424.db2.gz KTYVKOJKZKLINI-CQSZACIVSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001364531921 888864436 /nfs/dbraw/zinc/86/44/36/888864436.db2.gz KTYVKOJKZKLINI-CQSZACIVSA-N 2 2 321.469 1.346 20 30 DDEDLP CCc1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)ccc1C#N ZINC001278037514 889459530 /nfs/dbraw/zinc/45/95/30/889459530.db2.gz OMWJUXJXAWDWAU-UHFFFAOYSA-N 2 2 312.461 1.942 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366340778 893232029 /nfs/dbraw/zinc/23/20/29/893232029.db2.gz GBLKZKNPBALALN-CYBMUJFWSA-N 2 2 311.389 1.129 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001262185325 900005201 /nfs/dbraw/zinc/00/52/01/900005201.db2.gz LFVKYQNDZCHESV-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001262185325 900005212 /nfs/dbraw/zinc/00/52/12/900005212.db2.gz LFVKYQNDZCHESV-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001280409077 903645526 /nfs/dbraw/zinc/64/55/26/903645526.db2.gz PCBRQTULGVYDGR-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001280409077 903645542 /nfs/dbraw/zinc/64/55/42/903645542.db2.gz PCBRQTULGVYDGR-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001396995616 914911083 /nfs/dbraw/zinc/91/10/83/914911083.db2.gz QPABGIBMBRLXMW-CYBMUJFWSA-N 2 2 320.462 1.604 20 30 DDEDLP CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001396995616 914911090 /nfs/dbraw/zinc/91/10/90/914911090.db2.gz QPABGIBMBRLXMW-CYBMUJFWSA-N 2 2 320.462 1.604 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329295897 539302636 /nfs/dbraw/zinc/30/26/36/539302636.db2.gz OPJJULZPIRCGEJ-HUUCEWRRSA-N 2 2 305.426 1.746 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329295897 539302637 /nfs/dbraw/zinc/30/26/37/539302637.db2.gz OPJJULZPIRCGEJ-HUUCEWRRSA-N 2 2 305.426 1.746 20 30 DDEDLP C=CCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262885323 186319180 /nfs/dbraw/zinc/31/91/80/186319180.db2.gz GDBYENQUOBXRBZ-CQSZACIVSA-N 2 2 302.422 1.857 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000314948076 354490027 /nfs/dbraw/zinc/49/00/27/354490027.db2.gz LCJUCGWXSOIUIT-ZFWWWQNUSA-N 2 2 300.362 1.173 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592945916 355747958 /nfs/dbraw/zinc/74/79/58/355747958.db2.gz PMKRKAVQDQOKPU-CQSZACIVSA-N 2 2 303.410 1.139 20 30 DDEDLP C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593903534 356049799 /nfs/dbraw/zinc/04/97/99/356049799.db2.gz FLWXRJJGCIPPBU-HNNXBMFYSA-N 2 2 320.393 1.388 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)C1 ZINC000330232132 283165044 /nfs/dbraw/zinc/16/50/44/283165044.db2.gz XFQFGPJUPKEOQO-LRDDRELGSA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)C1 ZINC000330232132 283165047 /nfs/dbraw/zinc/16/50/47/283165047.db2.gz XFQFGPJUPKEOQO-LRDDRELGSA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)C1 ZINC000330232132 283165052 /nfs/dbraw/zinc/16/50/52/283165052.db2.gz XFQFGPJUPKEOQO-LRDDRELGSA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)C1 ZINC000330232132 283165057 /nfs/dbraw/zinc/16/50/57/283165057.db2.gz XFQFGPJUPKEOQO-LRDDRELGSA-N 2 2 303.410 1.209 20 30 DDEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065170 356758469 /nfs/dbraw/zinc/75/84/69/356758469.db2.gz FIOJNXQTKJMBCA-SJORKVTESA-N 2 2 317.433 1.566 20 30 DDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065170 356758471 /nfs/dbraw/zinc/75/84/71/356758471.db2.gz FIOJNXQTKJMBCA-SJORKVTESA-N 2 2 317.433 1.566 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C#N ZINC000597235521 357105325 /nfs/dbraw/zinc/10/53/25/357105325.db2.gz IVOOPTZTXMUEQS-QGZVFWFLSA-N 2 2 315.417 1.598 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1C#N ZINC000597235521 357105327 /nfs/dbraw/zinc/10/53/27/357105327.db2.gz IVOOPTZTXMUEQS-QGZVFWFLSA-N 2 2 315.417 1.598 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599306377 357885540 /nfs/dbraw/zinc/88/55/40/357885540.db2.gz GOHUCCWVGZBHCL-IKGGRYGDSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599306377 357885542 /nfs/dbraw/zinc/88/55/42/357885542.db2.gz GOHUCCWVGZBHCL-IKGGRYGDSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599306377 357885545 /nfs/dbraw/zinc/88/55/45/357885545.db2.gz GOHUCCWVGZBHCL-IKGGRYGDSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599306377 357885551 /nfs/dbraw/zinc/88/55/51/357885551.db2.gz GOHUCCWVGZBHCL-IKGGRYGDSA-N 2 2 321.465 1.616 20 30 DDEDLP C[C@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602606654 359069600 /nfs/dbraw/zinc/06/96/00/359069600.db2.gz BSRKFSGTQZJITE-OAHLLOKOSA-N 2 2 303.406 1.647 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258145 360278897 /nfs/dbraw/zinc/27/88/97/360278897.db2.gz MYNVEICXDCRVHS-VYDXJSESSA-N 2 2 317.437 1.963 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258145 360278901 /nfs/dbraw/zinc/27/89/01/360278901.db2.gz MYNVEICXDCRVHS-VYDXJSESSA-N 2 2 317.437 1.963 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000611270292 360686022 /nfs/dbraw/zinc/68/60/22/360686022.db2.gz ABIKPLTUJRROEB-HNNXBMFYSA-N 2 2 304.463 1.832 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(C#N)cs3)CC2)C1 ZINC000611270292 360686025 /nfs/dbraw/zinc/68/60/25/360686025.db2.gz ABIKPLTUJRROEB-HNNXBMFYSA-N 2 2 304.463 1.832 20 30 DDEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000619720797 364130910 /nfs/dbraw/zinc/13/09/10/364130910.db2.gz XNLQWPLLQRMLIP-MRXNPFEDSA-N 2 2 310.438 1.538 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159006350 197318872 /nfs/dbraw/zinc/31/88/72/197318872.db2.gz KIZKZSKKGGWPRS-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159006350 197318873 /nfs/dbraw/zinc/31/88/73/197318873.db2.gz KIZKZSKKGGWPRS-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054978 304392602 /nfs/dbraw/zinc/39/26/02/304392602.db2.gz IAKCHJHOQYAHSW-CABCVRRESA-N 2 2 309.373 1.308 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054978 304392603 /nfs/dbraw/zinc/39/26/03/304392603.db2.gz IAKCHJHOQYAHSW-CABCVRRESA-N 2 2 309.373 1.308 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200043 407552535 /nfs/dbraw/zinc/55/25/35/407552535.db2.gz ONWANKPUJJRWIC-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200043 407552540 /nfs/dbraw/zinc/55/25/40/407552540.db2.gz ONWANKPUJJRWIC-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000180450144 407888802 /nfs/dbraw/zinc/88/88/02/407888802.db2.gz HTRUQGAINYSLKZ-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000180450144 407888808 /nfs/dbraw/zinc/88/88/08/407888808.db2.gz HTRUQGAINYSLKZ-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C[C@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163080101 408758906 /nfs/dbraw/zinc/75/89/06/408758906.db2.gz XBTWUMQZXFKBOG-CYBMUJFWSA-N 2 2 309.435 1.262 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000318255444 164030770 /nfs/dbraw/zinc/03/07/70/164030770.db2.gz AHUHQWOSFGLXBP-CVEARBPZSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000318255444 164030772 /nfs/dbraw/zinc/03/07/72/164030772.db2.gz AHUHQWOSFGLXBP-CVEARBPZSA-N 2 2 301.390 1.520 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000331472205 409545544 /nfs/dbraw/zinc/54/55/44/409545544.db2.gz GTUBRYHDXNNBHL-QGZVFWFLSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000331472205 409545552 /nfs/dbraw/zinc/54/55/52/409545552.db2.gz GTUBRYHDXNNBHL-QGZVFWFLSA-N 2 2 306.454 1.599 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CCC2 ZINC000328642615 409945380 /nfs/dbraw/zinc/94/53/80/409945380.db2.gz DWNXDQZISVOFHJ-CABCVRRESA-N 2 2 319.453 1.661 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000328861685 409995029 /nfs/dbraw/zinc/99/50/29/409995029.db2.gz VNCVBZIJHPDWBJ-UHFFFAOYSA-N 2 2 320.437 1.954 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280451595 418570625 /nfs/dbraw/zinc/57/06/25/418570625.db2.gz NQFKDPIOQFQWBH-RYQLBKOJSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280451595 418570629 /nfs/dbraw/zinc/57/06/29/418570629.db2.gz NQFKDPIOQFQWBH-RYQLBKOJSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280451595 418570631 /nfs/dbraw/zinc/57/06/31/418570631.db2.gz NQFKDPIOQFQWBH-RYQLBKOJSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280451595 418570634 /nfs/dbraw/zinc/57/06/34/418570634.db2.gz NQFKDPIOQFQWBH-RYQLBKOJSA-N 2 2 313.445 1.741 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245716382 222218195 /nfs/dbraw/zinc/21/81/95/222218195.db2.gz UDHFERRSIVFZPH-BZUAXINKSA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245716382 222218197 /nfs/dbraw/zinc/21/81/97/222218197.db2.gz UDHFERRSIVFZPH-BZUAXINKSA-N 2 2 317.437 1.774 20 30 DDEDLP C[NH+]=C(NC[C@H](C)C(=O)OC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947021 222264138 /nfs/dbraw/zinc/26/41/38/222264138.db2.gz GEXXMTOZLYRHSG-RDBSUJKOSA-N 2 2 321.425 1.151 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[N@@H+]1C1CC1 ZINC000328598886 418605587 /nfs/dbraw/zinc/60/55/87/418605587.db2.gz BNKXRMAITIJLPA-RDBSUJKOSA-N 2 2 317.437 1.889 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[N@H+]1C1CC1 ZINC000328598886 418605590 /nfs/dbraw/zinc/60/55/90/418605590.db2.gz BNKXRMAITIJLPA-RDBSUJKOSA-N 2 2 317.437 1.889 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264060902 222310968 /nfs/dbraw/zinc/31/09/68/222310968.db2.gz CUQVOXJGIUNJIL-KGLIPLIRSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264060902 222310972 /nfs/dbraw/zinc/31/09/72/222310972.db2.gz CUQVOXJGIUNJIL-KGLIPLIRSA-N 3 2 323.510 1.739 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264094729 222316959 /nfs/dbraw/zinc/31/69/59/222316959.db2.gz LQAYOWMAUNUMEU-AWEZNQCLSA-N 2 2 320.437 1.787 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264114952 222320139 /nfs/dbraw/zinc/32/01/39/222320139.db2.gz SGBHFEBHGZVZHA-INIZCTEOSA-N 2 2 315.465 1.678 20 30 DDEDLP CC#CCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000361634875 418694323 /nfs/dbraw/zinc/69/43/23/418694323.db2.gz CKROLICVPFBWPG-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP CC#CCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000361634875 418694326 /nfs/dbraw/zinc/69/43/26/418694326.db2.gz CKROLICVPFBWPG-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706469 418737128 /nfs/dbraw/zinc/73/71/28/418737128.db2.gz KNZGPRCIVKSTHE-DLBZAZTESA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706469 418737129 /nfs/dbraw/zinc/73/71/29/418737129.db2.gz KNZGPRCIVKSTHE-DLBZAZTESA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369816485 418738344 /nfs/dbraw/zinc/73/83/44/418738344.db2.gz TVCBGNGGKATIML-HUUCEWRRSA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369816485 418738347 /nfs/dbraw/zinc/73/83/47/418738347.db2.gz TVCBGNGGKATIML-HUUCEWRRSA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414827 418765449 /nfs/dbraw/zinc/76/54/49/418765449.db2.gz RXELLHGIYUJKEM-BRWVUGGUSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414827 418765450 /nfs/dbraw/zinc/76/54/50/418765450.db2.gz RXELLHGIYUJKEM-BRWVUGGUSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414827 418765452 /nfs/dbraw/zinc/76/54/52/418765452.db2.gz RXELLHGIYUJKEM-BRWVUGGUSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414827 418765453 /nfs/dbraw/zinc/76/54/53/418765453.db2.gz RXELLHGIYUJKEM-BRWVUGGUSA-N 2 2 303.450 1.603 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1C#N ZINC000372342489 418858863 /nfs/dbraw/zinc/85/88/63/418858863.db2.gz UFFSYBLKPAEAMK-IRXDYDNUSA-N 2 2 315.417 1.910 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1C#N ZINC000372342489 418858865 /nfs/dbraw/zinc/85/88/65/418858865.db2.gz UFFSYBLKPAEAMK-IRXDYDNUSA-N 2 2 315.417 1.910 20 30 DDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752146 421202530 /nfs/dbraw/zinc/20/25/30/421202530.db2.gz ZFQSPPSHNOMBNR-MJGOQNOKSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752146 421202532 /nfs/dbraw/zinc/20/25/32/421202532.db2.gz ZFQSPPSHNOMBNR-MJGOQNOKSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752146 421202534 /nfs/dbraw/zinc/20/25/34/421202534.db2.gz ZFQSPPSHNOMBNR-MJGOQNOKSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752146 421202537 /nfs/dbraw/zinc/20/25/37/421202537.db2.gz ZFQSPPSHNOMBNR-MJGOQNOKSA-N 2 2 316.445 1.548 20 30 DDEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000514856419 421459970 /nfs/dbraw/zinc/45/99/70/421459970.db2.gz ZVUCPWFLCYRFPD-HZPDHXFCSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000514856419 421459971 /nfs/dbraw/zinc/45/99/71/421459971.db2.gz ZVUCPWFLCYRFPD-HZPDHXFCSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000514856419 421459975 /nfs/dbraw/zinc/45/99/75/421459975.db2.gz ZVUCPWFLCYRFPD-HZPDHXFCSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000514856419 421459978 /nfs/dbraw/zinc/45/99/78/421459978.db2.gz ZVUCPWFLCYRFPD-HZPDHXFCSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000530231193 421588515 /nfs/dbraw/zinc/58/85/15/421588515.db2.gz FZBAPUNJQHDOBC-FRFSOERESA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000530231193 421588518 /nfs/dbraw/zinc/58/85/18/421588518.db2.gz FZBAPUNJQHDOBC-FRFSOERESA-N 2 2 315.417 1.513 20 30 DDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000569683870 421626814 /nfs/dbraw/zinc/62/68/14/421626814.db2.gz LJRFBZAUCZBQHW-CVEARBPZSA-N 2 2 324.469 1.045 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689284 421736530 /nfs/dbraw/zinc/73/65/30/421736530.db2.gz VAVNCHOXARVMMM-MRXNPFEDSA-N 2 2 300.362 1.994 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689284 421736532 /nfs/dbraw/zinc/73/65/32/421736532.db2.gz VAVNCHOXARVMMM-MRXNPFEDSA-N 2 2 300.362 1.994 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689284 421736535 /nfs/dbraw/zinc/73/65/35/421736535.db2.gz VAVNCHOXARVMMM-MRXNPFEDSA-N 2 2 300.362 1.994 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689284 421736538 /nfs/dbraw/zinc/73/65/38/421736538.db2.gz VAVNCHOXARVMMM-MRXNPFEDSA-N 2 2 300.362 1.994 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cncc(C#N)n3)CC2)CC1 ZINC000581241772 421928288 /nfs/dbraw/zinc/92/82/88/421928288.db2.gz CNFWJZHIMYLPEJ-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3cncc(C#N)n3)CC2)CC1 ZINC000581241772 421928293 /nfs/dbraw/zinc/92/82/93/421928293.db2.gz CNFWJZHIMYLPEJ-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762242 423716305 /nfs/dbraw/zinc/71/63/05/423716305.db2.gz LDTOMLKIJZGYJD-RDJZCZTQSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762242 423716309 /nfs/dbraw/zinc/71/63/09/423716309.db2.gz LDTOMLKIJZGYJD-RDJZCZTQSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000660597988 424726948 /nfs/dbraw/zinc/72/69/48/424726948.db2.gz VEBZQVBIEVXVAH-CYBMUJFWSA-N 2 2 305.426 1.821 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655804 424741885 /nfs/dbraw/zinc/74/18/85/424741885.db2.gz QBSNYTCURCAMMN-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655804 424741886 /nfs/dbraw/zinc/74/18/86/424741886.db2.gz QBSNYTCURCAMMN-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655804 424741888 /nfs/dbraw/zinc/74/18/88/424741888.db2.gz QBSNYTCURCAMMN-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655804 424741890 /nfs/dbraw/zinc/74/18/90/424741890.db2.gz QBSNYTCURCAMMN-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711594 267053392 /nfs/dbraw/zinc/05/33/92/267053392.db2.gz XPLHHHDZMADZDH-RHSMWYFYSA-N 2 2 302.422 1.609 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2c1 ZINC000369480619 268225043 /nfs/dbraw/zinc/22/50/43/268225043.db2.gz QBYYAFJSFFGRGH-GDBMZVCRSA-N 2 2 311.389 1.159 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429009254 280103327 /nfs/dbraw/zinc/10/33/27/280103327.db2.gz NVNLKNWSSYRZQW-DJIMGWMZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429009254 280103329 /nfs/dbraw/zinc/10/33/29/280103329.db2.gz NVNLKNWSSYRZQW-DJIMGWMZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429009254 280103331 /nfs/dbraw/zinc/10/33/31/280103331.db2.gz NVNLKNWSSYRZQW-DJIMGWMZSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429009254 280103334 /nfs/dbraw/zinc/10/33/34/280103334.db2.gz NVNLKNWSSYRZQW-DJIMGWMZSA-N 2 2 306.454 1.457 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000558411448 331903786 /nfs/dbraw/zinc/90/37/86/331903786.db2.gz WEMXQFXDBLOTOW-INIZCTEOSA-N 2 2 304.438 1.777 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548282212 341254219 /nfs/dbraw/zinc/25/42/19/341254219.db2.gz LYIKJGUAFFQFLG-HNNXBMFYSA-N 2 2 317.437 1.538 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437645 341293903 /nfs/dbraw/zinc/29/39/03/341293903.db2.gz RPEGAIMQTABRKI-QRTARXTBSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437645 341293904 /nfs/dbraw/zinc/29/39/04/341293904.db2.gz RPEGAIMQTABRKI-QRTARXTBSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437645 341293905 /nfs/dbraw/zinc/29/39/05/341293905.db2.gz RPEGAIMQTABRKI-QRTARXTBSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437645 341293906 /nfs/dbraw/zinc/29/39/06/341293906.db2.gz RPEGAIMQTABRKI-QRTARXTBSA-N 2 2 306.454 1.457 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2nc(NC)c3ccccc3[nH+]2)CC1 ZINC000576699275 341859095 /nfs/dbraw/zinc/85/90/95/341859095.db2.gz CZOSOHWYLRLMLW-UHFFFAOYSA-N 2 2 311.433 1.968 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424136090 534682060 /nfs/dbraw/zinc/68/20/60/534682060.db2.gz NLKJNRZNUBKBTC-AWEZNQCLSA-N 2 2 313.405 1.872 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339750822 526361330 /nfs/dbraw/zinc/36/13/30/526361330.db2.gz GRIIBNOANSKHAQ-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339750822 526361327 /nfs/dbraw/zinc/36/13/27/526361327.db2.gz GRIIBNOANSKHAQ-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346204370 526761300 /nfs/dbraw/zinc/76/13/00/526761300.db2.gz BEDIHVUQXCPXJZ-HOTGVXAUSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000490874640 526922475 /nfs/dbraw/zinc/92/24/75/526922475.db2.gz NCKPRIQPWROGMH-OAHLLOKOSA-N 2 2 300.406 1.081 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2c(C)noc2C)CC1 ZINC000490949476 526952064 /nfs/dbraw/zinc/95/20/64/526952064.db2.gz KPWGPMSQKDOQGO-OAHLLOKOSA-N 2 2 318.421 1.110 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332002681 527934768 /nfs/dbraw/zinc/93/47/68/527934768.db2.gz ORKSLKOAWMCIRS-INMHGKMJSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332002681 527934778 /nfs/dbraw/zinc/93/47/78/527934778.db2.gz ORKSLKOAWMCIRS-INMHGKMJSA-N 2 2 308.470 1.845 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740788 695723330 /nfs/dbraw/zinc/72/33/30/695723330.db2.gz HRSUEFQEQJHQTJ-HIFRSBDPSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740788 695723331 /nfs/dbraw/zinc/72/33/31/695723331.db2.gz HRSUEFQEQJHQTJ-HIFRSBDPSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749065 695725488 /nfs/dbraw/zinc/72/54/88/695725488.db2.gz GMTLOFOHTIIZAR-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749065 695725490 /nfs/dbraw/zinc/72/54/90/695725490.db2.gz GMTLOFOHTIIZAR-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCOCC1 ZINC000104159992 696619079 /nfs/dbraw/zinc/61/90/79/696619079.db2.gz TUPYUSAQDKEZSH-QGZVFWFLSA-N 2 2 318.465 1.490 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005568 697000048 /nfs/dbraw/zinc/00/00/48/697000048.db2.gz SWTLVHMKRGEPQK-AWEZNQCLSA-N 2 2 312.417 1.387 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005568 697000051 /nfs/dbraw/zinc/00/00/51/697000051.db2.gz SWTLVHMKRGEPQK-AWEZNQCLSA-N 2 2 312.417 1.387 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197431 697031863 /nfs/dbraw/zinc/03/18/63/697031863.db2.gz BCYBSDBEKWZAGK-INIZCTEOSA-N 2 2 316.449 1.954 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197431 697031865 /nfs/dbraw/zinc/03/18/65/697031865.db2.gz BCYBSDBEKWZAGK-INIZCTEOSA-N 2 2 316.449 1.954 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981515667 697116357 /nfs/dbraw/zinc/11/63/57/697116357.db2.gz YZCQZSSCBODXPR-UHFFFAOYSA-N 2 2 306.410 1.460 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981515667 697116360 /nfs/dbraw/zinc/11/63/60/697116360.db2.gz YZCQZSSCBODXPR-UHFFFAOYSA-N 2 2 306.410 1.460 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735629 697174438 /nfs/dbraw/zinc/17/44/38/697174438.db2.gz JKCOQZKQCZAFGN-CALCHBBNSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735629 697174439 /nfs/dbraw/zinc/17/44/39/697174439.db2.gz JKCOQZKQCZAFGN-CALCHBBNSA-N 2 2 302.422 1.319 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000984858141 697436858 /nfs/dbraw/zinc/43/68/58/697436858.db2.gz FKHCCRQELHPUEY-WKILWMFISA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987567602 698152883 /nfs/dbraw/zinc/15/28/83/698152883.db2.gz ORRSSNQWONFNRK-ZFWWWQNUSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987567602 698152885 /nfs/dbraw/zinc/15/28/85/698152885.db2.gz ORRSSNQWONFNRK-ZFWWWQNUSA-N 2 2 319.474 1.871 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603327 698162117 /nfs/dbraw/zinc/16/21/17/698162117.db2.gz HDNZFFYLEUIFHY-RHSMWYFYSA-N 2 2 323.400 1.534 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468477 699331019 /nfs/dbraw/zinc/33/10/19/699331019.db2.gz CDPPHXLMNZBMRD-UWWQBHOKSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468477 699331023 /nfs/dbraw/zinc/33/10/23/699331023.db2.gz CDPPHXLMNZBMRD-UWWQBHOKSA-N 2 2 314.433 1.745 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000809567332 701669688 /nfs/dbraw/zinc/66/96/88/701669688.db2.gz AWIHDVOSPZHYJR-UHFFFAOYSA-N 2 2 313.445 1.654 20 30 DDEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866264341 706661289 /nfs/dbraw/zinc/66/12/89/706661289.db2.gz YJQLIPMLCDQBLJ-ZIAGYGMSSA-N 2 2 302.422 1.550 20 30 DDEDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866342466 706677599 /nfs/dbraw/zinc/67/75/99/706677599.db2.gz SGUIXMVJVFQKRX-CABCVRRESA-N 2 2 316.449 1.940 20 30 DDEDLP CCOCCC[N@@H+]1CCC(=NNCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000848418300 703548094 /nfs/dbraw/zinc/54/80/94/703548094.db2.gz LZQCCZUNTTTZGN-INIZCTEOSA-N 2 2 321.469 1.987 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ZINC001035479671 751534001 /nfs/dbraw/zinc/53/40/01/751534001.db2.gz BVTMWWBNKPKFGF-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035479671 751534003 /nfs/dbraw/zinc/53/40/03/751534003.db2.gz BVTMWWBNKPKFGF-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035479671 751534005 /nfs/dbraw/zinc/53/40/05/751534005.db2.gz BVTMWWBNKPKFGF-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114902118 751555801 /nfs/dbraw/zinc/55/58/01/751555801.db2.gz YBKYROPEXGQYRX-AIANPOQGSA-N 2 2 302.422 1.847 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114902118 751555804 /nfs/dbraw/zinc/55/58/04/751555804.db2.gz YBKYROPEXGQYRX-AIANPOQGSA-N 2 2 302.422 1.847 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001037964486 751600043 /nfs/dbraw/zinc/60/00/43/751600043.db2.gz IHKDTNIXGBMPAY-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124122 741046259 /nfs/dbraw/zinc/04/62/59/741046259.db2.gz XTOKXGDZIJCDRV-XHSDSOJGSA-N 2 2 300.406 1.248 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124122 741046261 /nfs/dbraw/zinc/04/62/61/741046261.db2.gz XTOKXGDZIJCDRV-XHSDSOJGSA-N 2 2 300.406 1.248 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170977 741092374 /nfs/dbraw/zinc/09/23/74/741092374.db2.gz QMLNORJQMNIHGY-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170977 741092376 /nfs/dbraw/zinc/09/23/76/741092376.db2.gz QMLNORJQMNIHGY-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380698 741450036 /nfs/dbraw/zinc/45/00/36/741450036.db2.gz NNJMIXKZTXJHQR-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674140 742069025 /nfs/dbraw/zinc/06/90/25/742069025.db2.gz ABQIDSAEFRMYFK-INMHGKMJSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674140 742069029 /nfs/dbraw/zinc/06/90/29/742069029.db2.gz ABQIDSAEFRMYFK-INMHGKMJSA-N 2 2 316.449 1.991 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035694541 751781672 /nfs/dbraw/zinc/78/16/72/751781672.db2.gz AKFRGFZSUVLMDP-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C[NH+](C)CCCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001187163030 744505987 /nfs/dbraw/zinc/50/59/87/744505987.db2.gz UKIXAFGBEXVPLU-UHFFFAOYSA-N 2 2 302.382 1.474 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190176016 745139800 /nfs/dbraw/zinc/13/98/00/745139800.db2.gz MOBVKPDTHMQVNC-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190176016 745139801 /nfs/dbraw/zinc/13/98/01/745139801.db2.gz MOBVKPDTHMQVNC-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201175070 748427895 /nfs/dbraw/zinc/42/78/95/748427895.db2.gz RGJOCOSPOGTVGH-INIZCTEOSA-N 2 2 302.422 1.684 20 30 DDEDLP C[NH+](C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCC1 ZINC001004454922 748447426 /nfs/dbraw/zinc/44/74/26/748447426.db2.gz AYYOEQJHQUBIOB-INIZCTEOSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCC1 ZINC001004454922 748447428 /nfs/dbraw/zinc/44/74/28/748447428.db2.gz AYYOEQJHQUBIOB-INIZCTEOSA-N 2 2 318.465 1.697 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201300949 748469337 /nfs/dbraw/zinc/46/93/37/748469337.db2.gz GUARTNYARNNALZ-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687974 752274282 /nfs/dbraw/zinc/27/42/82/752274282.db2.gz QINRWKFRMHREDX-JKSUJKDBSA-N 2 2 316.449 1.992 20 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748915845 /nfs/dbraw/zinc/91/58/45/748915845.db2.gz FAUYHGLVYUGQIJ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033205318 748915855 /nfs/dbraw/zinc/91/58/55/748915855.db2.gz FAUYHGLVYUGQIJ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076071 748931004 /nfs/dbraw/zinc/93/10/04/748931004.db2.gz LCDNTOJWZWCTHR-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413165 749309101 /nfs/dbraw/zinc/30/91/01/749309101.db2.gz DFZHZOSDDQVMQN-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413165 749309110 /nfs/dbraw/zinc/30/91/10/749309110.db2.gz DFZHZOSDDQVMQN-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430660 749352395 /nfs/dbraw/zinc/35/23/95/749352395.db2.gz 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C=CCOCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225285783 881760834 /nfs/dbraw/zinc/76/08/34/881760834.db2.gz RJZALMKRQOCZHZ-UHFFFAOYSA-N 2 2 320.437 1.291 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001330595316 864476075 /nfs/dbraw/zinc/47/60/75/864476075.db2.gz UNGNQACTLHXAES-INIZCTEOSA-N 2 2 314.433 1.204 20 30 DDEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001381448824 881807549 /nfs/dbraw/zinc/80/75/49/881807549.db2.gz ODDGRHWABHAQIK-KGLIPLIRSA-N 2 2 311.389 1.438 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331489992 865113997 /nfs/dbraw/zinc/11/39/97/865113997.db2.gz NRZJPAQBVBIFJE-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159537244 865389297 /nfs/dbraw/zinc/38/92/97/865389297.db2.gz QYTIMBUGXSXYFF-UHFFFAOYSA-N 2 2 310.401 1.490 20 30 DDEDLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001159537244 865389311 /nfs/dbraw/zinc/38/93/11/865389311.db2.gz QYTIMBUGXSXYFF-UHFFFAOYSA-N 2 2 310.401 1.490 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCCOC3)cc2F)CC1 ZINC001320630350 866901439 /nfs/dbraw/zinc/90/14/39/866901439.db2.gz SLKTUACWVYHNGG-HNNXBMFYSA-N 2 2 320.412 1.680 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001323994717 866998284 /nfs/dbraw/zinc/99/82/84/866998284.db2.gz KXOCFPHOQSDNED-UHFFFAOYSA-N 2 2 309.454 1.064 20 30 DDEDLP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945083 867649052 /nfs/dbraw/zinc/64/90/52/867649052.db2.gz WATBBTGHPSAOPG-YJBOKZPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945083 867649057 /nfs/dbraw/zinc/64/90/57/867649057.db2.gz WATBBTGHPSAOPG-YJBOKZPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162909656 867910361 /nfs/dbraw/zinc/91/03/61/867910361.db2.gz BPNKELGUCAQLFH-UHFFFAOYSA-N 2 2 305.422 1.919 20 30 DDEDLP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217749 868055131 /nfs/dbraw/zinc/05/51/31/868055131.db2.gz GUCHRBXXFUPGDO-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217749 868055150 /nfs/dbraw/zinc/05/51/50/868055150.db2.gz GUCHRBXXFUPGDO-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203604408 870667161 /nfs/dbraw/zinc/66/71/61/870667161.db2.gz DHAHNIACUKRWNI-HOTGVXAUSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205743428 871773694 /nfs/dbraw/zinc/77/36/94/871773694.db2.gz FSAUCMVZVGTCFT-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001318758921 872250392 /nfs/dbraw/zinc/25/03/92/872250392.db2.gz NVXMCRLPNIWHPT-KBXCAEBGSA-N 2 2 316.449 1.939 20 30 DDEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001342675985 872330623 /nfs/dbraw/zinc/33/06/23/872330623.db2.gz WCXPZLVDKFDHAI-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001342675985 872330643 /nfs/dbraw/zinc/33/06/43/872330643.db2.gz WCXPZLVDKFDHAI-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917795 872360833 /nfs/dbraw/zinc/36/08/33/872360833.db2.gz JTKPDIGDLQAGOU-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917795 872360843 /nfs/dbraw/zinc/36/08/43/872360843.db2.gz JTKPDIGDLQAGOU-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872604 872677491 /nfs/dbraw/zinc/67/74/91/872677491.db2.gz LKQIROIXBRVSFK-UHFFFAOYSA-N 2 2 302.422 1.539 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969979 872865389 /nfs/dbraw/zinc/86/53/89/872865389.db2.gz VVZOKTUCSXOCGL-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(C#N)n(C)c1)CC2 ZINC001207104683 873022268 /nfs/dbraw/zinc/02/22/68/873022268.db2.gz GTUWRLKANRLKMW-UHFFFAOYSA-N 2 2 301.394 1.527 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006587 876537763 /nfs/dbraw/zinc/53/77/63/876537763.db2.gz XKNRSQHNTKTZPZ-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218076957 877386349 /nfs/dbraw/zinc/38/63/49/877386349.db2.gz UCBZBDXCTPILTN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218076957 877386354 /nfs/dbraw/zinc/38/63/54/877386354.db2.gz UCBZBDXCTPILTN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001218076957 877386356 /nfs/dbraw/zinc/38/63/56/877386356.db2.gz UCBZBDXCTPILTN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001218076957 877386364 /nfs/dbraw/zinc/38/63/64/877386364.db2.gz UCBZBDXCTPILTN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001223259189 880889674 /nfs/dbraw/zinc/88/96/74/880889674.db2.gz NSKRBFDUUGQPKP-UHFFFAOYSA-N 2 2 316.449 1.776 20 30 DDEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001277938710 888571941 /nfs/dbraw/zinc/57/19/41/888571941.db2.gz DNVWJXBUZVKAMK-HOTGVXAUSA-N 2 2 316.449 1.355 20 30 DDEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001277938710 888571950 /nfs/dbraw/zinc/57/19/50/888571950.db2.gz DNVWJXBUZVKAMK-HOTGVXAUSA-N 2 2 316.449 1.355 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278375003 891775378 /nfs/dbraw/zinc/77/53/78/891775378.db2.gz MVUVIMDZCMRNQS-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278375003 891775387 /nfs/dbraw/zinc/77/53/87/891775387.db2.gz MVUVIMDZCMRNQS-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278375003 891775402 /nfs/dbraw/zinc/77/54/02/891775402.db2.gz MVUVIMDZCMRNQS-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278375003 891775410 /nfs/dbraw/zinc/77/54/10/891775410.db2.gz MVUVIMDZCMRNQS-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278608420 894472852 /nfs/dbraw/zinc/47/28/52/894472852.db2.gz LNRZFDHDUSQNEE-GJZGRUSLSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254517171 896474731 /nfs/dbraw/zinc/47/47/31/896474731.db2.gz FGXDAEQTNAYQQV-FUHWJXTLSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517171 896474737 /nfs/dbraw/zinc/47/47/37/896474737.db2.gz FGXDAEQTNAYQQV-FUHWJXTLSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517171 896474743 /nfs/dbraw/zinc/47/47/43/896474743.db2.gz FGXDAEQTNAYQQV-FUHWJXTLSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517171 896474745 /nfs/dbraw/zinc/47/47/45/896474745.db2.gz FGXDAEQTNAYQQV-FUHWJXTLSA-N 2 2 305.466 1.971 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279096572 898181593 /nfs/dbraw/zinc/18/15/93/898181593.db2.gz AKJBCPUUXMJHMD-HUUCEWRRSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001279102499 898209337 /nfs/dbraw/zinc/20/93/37/898209337.db2.gz HALXRLUUQRKPRN-WMLDXEAASA-N 2 2 324.428 1.964 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001264395076 901082069 /nfs/dbraw/zinc/08/20/69/901082069.db2.gz KLDMKWLNAHTBDF-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001279764169 903409188 /nfs/dbraw/zinc/40/91/88/903409188.db2.gz ROHIRICUBLGQJL-UHFFFAOYSA-N 2 2 316.405 1.325 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611631 904961838 /nfs/dbraw/zinc/96/18/38/904961838.db2.gz VTWZSVLQFNMEME-MSOLQXFVSA-N 2 2 313.445 1.845 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611631 904961855 /nfs/dbraw/zinc/96/18/55/904961855.db2.gz VTWZSVLQFNMEME-MSOLQXFVSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001281726580 905184393 /nfs/dbraw/zinc/18/43/93/905184393.db2.gz YOAJQMKPZBOFPF-HOTGVXAUSA-N 2 2 304.438 1.978 20 30 DDEDLP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282204814 905614058 /nfs/dbraw/zinc/61/40/58/905614058.db2.gz ALNFCYJZQULJJE-CABCVRRESA-N 2 2 310.401 1.487 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001283078882 906587008 /nfs/dbraw/zinc/58/70/08/906587008.db2.gz FJHNPCNPWDHSNS-QAQDUYKDSA-N 2 2 322.412 1.488 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284025365 908335338 /nfs/dbraw/zinc/33/53/38/908335338.db2.gz JINXTEZZHQXVRA-GJZGRUSLSA-N 2 2 320.437 1.134 20 30 DDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)C[NH+]1CCCCC1 ZINC000329409347 539304154 /nfs/dbraw/zinc/30/41/54/539304154.db2.gz DLHFTWAIDIBZBL-CQSZACIVSA-N 2 2 305.426 1.735 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291694 529810615 /nfs/dbraw/zinc/81/06/15/529810615.db2.gz GSGGTBNGGFFIIY-YOEHRIQHSA-N 2 2 317.437 1.387 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291694 529810617 /nfs/dbraw/zinc/81/06/17/529810617.db2.gz GSGGTBNGGFFIIY-YOEHRIQHSA-N 2 2 317.437 1.387 20 30 DDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265977850 186345552 /nfs/dbraw/zinc/34/55/52/186345552.db2.gz LYZZXPWCHROYLV-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265977850 186345554 /nfs/dbraw/zinc/34/55/54/186345554.db2.gz LYZZXPWCHROYLV-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000265977850 186345556 /nfs/dbraw/zinc/34/55/56/186345556.db2.gz LYZZXPWCHROYLV-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265977850 186345557 /nfs/dbraw/zinc/34/55/57/186345557.db2.gz LYZZXPWCHROYLV-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@H](C)C1 ZINC000087511934 353751610 /nfs/dbraw/zinc/75/16/10/353751610.db2.gz HIWUYIWRFZZKRY-STQMWFEESA-N 2 2 306.458 1.730 20 30 DDEDLP C[C@@H]1CCC[C@@](CNC[C@H](O)C[N@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845972 354713386 /nfs/dbraw/zinc/71/33/86/354713386.db2.gz WWCGTRMAPUMPLW-IXDOHACOSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[C@@](CNC[C@H](O)C[N@@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845972 354713388 /nfs/dbraw/zinc/71/33/88/354713388.db2.gz WWCGTRMAPUMPLW-IXDOHACOSA-N 2 2 310.486 1.293 20 30 DDEDLP C=CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579215849 354717069 /nfs/dbraw/zinc/71/70/69/354717069.db2.gz JVGXFBIGMZHOAG-HNNXBMFYSA-N 2 2 318.421 1.036 20 30 DDEDLP C=CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579215849 354717073 /nfs/dbraw/zinc/71/70/73/354717073.db2.gz JVGXFBIGMZHOAG-HNNXBMFYSA-N 2 2 318.421 1.036 20 30 DDEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734059 355373835 /nfs/dbraw/zinc/37/38/35/355373835.db2.gz ZIEFKMBPCQILKW-JKSUJKDBSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734059 355373838 /nfs/dbraw/zinc/37/38/38/355373838.db2.gz ZIEFKMBPCQILKW-JKSUJKDBSA-N 2 2 303.406 1.176 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000592181069 355527244 /nfs/dbraw/zinc/52/72/44/355527244.db2.gz BHXBJXMMLAMGAM-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000592181069 355527247 /nfs/dbraw/zinc/52/72/47/355527247.db2.gz BHXBJXMMLAMGAM-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595867567 356684696 /nfs/dbraw/zinc/68/46/96/356684696.db2.gz OSQUSAYZSDPPTF-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595867567 356684701 /nfs/dbraw/zinc/68/47/01/356684701.db2.gz OSQUSAYZSDPPTF-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCCC[NH3+])CC2)cc1 ZINC000600712174 358291429 /nfs/dbraw/zinc/29/14/29/358291429.db2.gz XIQQRXOWVITJAU-UHFFFAOYSA-N 3 2 316.449 1.478 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600723145 358296177 /nfs/dbraw/zinc/29/61/77/358296177.db2.gz JTPHVLFKYHFNLR-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)n3)CC2)c1 ZINC000602461456 358993566 /nfs/dbraw/zinc/99/35/66/358993566.db2.gz GFAXXIAYOTWJEG-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP CN(C(=O)NCCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862506 361608627 /nfs/dbraw/zinc/60/86/27/361608627.db2.gz ADRLTNDENOYYBO-OAHLLOKOSA-N 2 2 307.442 1.100 20 30 DDEDLP CN(C(=O)NCCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862506 361608631 /nfs/dbraw/zinc/60/86/31/361608631.db2.gz ADRLTNDENOYYBO-OAHLLOKOSA-N 2 2 307.442 1.100 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266181825 205164375 /nfs/dbraw/zinc/16/43/75/205164375.db2.gz SKESMICZFMOAKQ-CYBMUJFWSA-N 2 2 300.406 1.959 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)cc1 ZINC000047676077 407079708 /nfs/dbraw/zinc/07/97/08/407079708.db2.gz JBOAMEAJCATLTC-UHFFFAOYSA-N 2 2 314.433 1.656 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)cc1 ZINC000047676077 407079711 /nfs/dbraw/zinc/07/97/11/407079711.db2.gz JBOAMEAJCATLTC-UHFFFAOYSA-N 2 2 314.433 1.656 20 30 DDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C[C@@H](C)O1 ZINC000170909573 407550906 /nfs/dbraw/zinc/55/09/06/407550906.db2.gz HTYRLGHYCJDLOX-CHWSQXEVSA-N 2 2 305.426 1.696 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181260659 407972333 /nfs/dbraw/zinc/97/23/33/407972333.db2.gz WMNUEYBZPGRNNP-OAHLLOKOSA-N 2 2 302.422 1.627 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181260659 407972339 /nfs/dbraw/zinc/97/23/39/407972339.db2.gz WMNUEYBZPGRNNP-OAHLLOKOSA-N 2 2 302.422 1.627 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245560886 408019373 /nfs/dbraw/zinc/01/93/73/408019373.db2.gz BZTCLMJIFBDDCN-HUUCEWRRSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245560886 408019376 /nfs/dbraw/zinc/01/93/76/408019376.db2.gz BZTCLMJIFBDDCN-HUUCEWRRSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245560886 408019378 /nfs/dbraw/zinc/01/93/78/408019378.db2.gz BZTCLMJIFBDDCN-HUUCEWRRSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245560886 408019381 /nfs/dbraw/zinc/01/93/81/408019381.db2.gz BZTCLMJIFBDDCN-HUUCEWRRSA-N 2 2 314.437 1.343 20 30 DDEDLP CO[C@H](C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000181626941 408020384 /nfs/dbraw/zinc/02/03/84/408020384.db2.gz PZUFPDGRJSAZKT-CYBMUJFWSA-N 2 2 321.421 1.315 20 30 DDEDLP C[NH+]1CCC(CNC(=[NH2+])NC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000304792241 409644093 /nfs/dbraw/zinc/64/40/93/409644093.db2.gz LBFKVNBYBNTLKU-UHFFFAOYSA-N 3 2 309.502 1.640 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@]2(C)CCCOC2)CC1 ZINC000329165578 410140665 /nfs/dbraw/zinc/14/06/65/410140665.db2.gz HNPHWPMCMAEAQJ-MRXNPFEDSA-N 2 2 312.458 1.085 20 30 DDEDLP C[NH+](C[C@H](O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000351967024 410380948 /nfs/dbraw/zinc/38/09/48/410380948.db2.gz HIGFIVBIUVHTBO-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](C[C@H](O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000351967024 410380955 /nfs/dbraw/zinc/38/09/55/410380955.db2.gz HIGFIVBIUVHTBO-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](CCOCc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351967024 410380960 /nfs/dbraw/zinc/38/09/60/410380960.db2.gz HIGFIVBIUVHTBO-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](CCOCc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351967024 410380967 /nfs/dbraw/zinc/38/09/67/410380967.db2.gz HIGFIVBIUVHTBO-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000352886240 410684776 /nfs/dbraw/zinc/68/47/76/410684776.db2.gz PMJFQMKYXKGUQN-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000352886240 410684781 /nfs/dbraw/zinc/68/47/81/410684781.db2.gz PMJFQMKYXKGUQN-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352912501 410688597 /nfs/dbraw/zinc/68/85/97/410688597.db2.gz DWCRPVJBDPYZOL-LSVZVQIISA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352912501 410688600 /nfs/dbraw/zinc/68/86/00/410688600.db2.gz DWCRPVJBDPYZOL-LSVZVQIISA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352912501 410688603 /nfs/dbraw/zinc/68/86/03/410688603.db2.gz DWCRPVJBDPYZOL-LSVZVQIISA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352912501 410688606 /nfs/dbraw/zinc/68/86/06/410688606.db2.gz DWCRPVJBDPYZOL-LSVZVQIISA-N 2 2 306.454 1.552 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)o1 ZINC000340301890 410836816 /nfs/dbraw/zinc/83/68/16/410836816.db2.gz VIKJYNBIQBAIIR-UHFFFAOYSA-N 2 2 304.394 1.249 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)o1 ZINC000340301890 410836821 /nfs/dbraw/zinc/83/68/21/410836821.db2.gz VIKJYNBIQBAIIR-UHFFFAOYSA-N 2 2 304.394 1.249 20 30 DDEDLP N#Cc1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000356192515 410887330 /nfs/dbraw/zinc/88/73/30/410887330.db2.gz LPRNAVSCVHJVOY-UHFFFAOYSA-N 2 2 320.462 1.949 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246729695 222224388 /nfs/dbraw/zinc/22/43/88/222224388.db2.gz MBMXQEWZCLEGQP-SJORKVTESA-N 2 2 321.465 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246729695 222224390 /nfs/dbraw/zinc/22/43/90/222224390.db2.gz MBMXQEWZCLEGQP-SJORKVTESA-N 2 2 321.465 1.230 20 30 DDEDLP Cn1c[nH+]cc1CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000267813555 222399701 /nfs/dbraw/zinc/39/97/01/222399701.db2.gz UQGHKLOORHMKTG-VCHYOVAHSA-N 2 2 300.362 1.807 20 30 DDEDLP Cn1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C#N ZINC000377622625 418711715 /nfs/dbraw/zinc/71/17/15/418711715.db2.gz IEYDEHDTLNOTAZ-QGZVFWFLSA-N 2 2 315.465 1.499 20 30 DDEDLP Cn1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C#N ZINC000377622625 418711717 /nfs/dbraw/zinc/71/17/17/418711717.db2.gz IEYDEHDTLNOTAZ-QGZVFWFLSA-N 2 2 315.465 1.499 20 30 DDEDLP CCC[NH+]1CCN(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)CC1 ZINC000377661288 418713268 /nfs/dbraw/zinc/71/32/68/418713268.db2.gz DWPBGLDJGOYPGD-KRWDZBQOSA-N 2 2 317.481 1.922 20 30 DDEDLP C=C(Br)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378436259 418722302 /nfs/dbraw/zinc/72/23/02/418722302.db2.gz YYNNMFPPEYTUOT-UHFFFAOYSA-N 2 2 319.243 1.054 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000369272900 418731042 /nfs/dbraw/zinc/73/10/42/418731042.db2.gz DFUIANUSFQJIMX-MRXNPFEDSA-N 2 2 312.417 1.457 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000369272900 418731043 /nfs/dbraw/zinc/73/10/43/418731043.db2.gz DFUIANUSFQJIMX-MRXNPFEDSA-N 2 2 312.417 1.457 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sccc3C#N)C2)CC1 ZINC000369274436 418731234 /nfs/dbraw/zinc/73/12/34/418731234.db2.gz PEEXUVANJYQMLE-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sccc3C#N)C2)CC1 ZINC000369274436 418731238 /nfs/dbraw/zinc/73/12/38/418731238.db2.gz PEEXUVANJYQMLE-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000363106777 418762411 /nfs/dbraw/zinc/76/24/11/418762411.db2.gz YUXNTSAEOTWZAC-UHFFFAOYSA-N 2 2 314.433 1.223 20 30 DDEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371147509 418765061 /nfs/dbraw/zinc/76/50/61/418765061.db2.gz JIXVXIDGCKDUOO-OAHLLOKOSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371147509 418765063 /nfs/dbraw/zinc/76/50/63/418765063.db2.gz JIXVXIDGCKDUOO-OAHLLOKOSA-N 2 2 315.421 1.127 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450217437 421163404 /nfs/dbraw/zinc/16/34/04/421163404.db2.gz PYCZARBGOVSTIL-KRWDZBQOSA-N 2 2 322.497 1.169 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450217437 421163408 /nfs/dbraw/zinc/16/34/08/421163408.db2.gz PYCZARBGOVSTIL-KRWDZBQOSA-N 2 2 322.497 1.169 20 30 DDEDLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000515832484 421518921 /nfs/dbraw/zinc/51/89/21/421518921.db2.gz XOFDLHDHPPTOOM-BRWVUGGUSA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000515832484 421518926 /nfs/dbraw/zinc/51/89/26/421518926.db2.gz XOFDLHDHPPTOOM-BRWVUGGUSA-N 2 2 324.513 1.539 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]1 ZINC000662754588 424757692 /nfs/dbraw/zinc/75/76/92/424757692.db2.gz RMNSOZXYRXMHBR-SFHVURJKSA-N 2 2 314.433 1.424 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c1 ZINC000369480622 268224909 /nfs/dbraw/zinc/22/49/09/268224909.db2.gz QBYYAFJSFFGRGH-ZBFHGGJFSA-N 2 2 311.389 1.159 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)n2c1 ZINC000369480622 268224911 /nfs/dbraw/zinc/22/49/11/268224911.db2.gz QBYYAFJSFFGRGH-ZBFHGGJFSA-N 2 2 311.389 1.159 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264138887 292765480 /nfs/dbraw/zinc/76/54/80/292765480.db2.gz VTUQEKPFDSMGGE-ZIAGYGMSSA-N 2 2 308.426 1.746 20 30 DDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC000580348438 308598760 /nfs/dbraw/zinc/59/87/60/308598760.db2.gz CQLGLEMNENUOPN-UHFFFAOYSA-N 2 2 318.402 1.208 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444619 341294611 /nfs/dbraw/zinc/29/46/11/341294611.db2.gz YEBUGDHDBGIESK-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444619 341294612 /nfs/dbraw/zinc/29/46/12/341294612.db2.gz YEBUGDHDBGIESK-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444619 341294613 /nfs/dbraw/zinc/29/46/13/341294613.db2.gz YEBUGDHDBGIESK-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444619 341294614 /nfs/dbraw/zinc/29/46/14/341294614.db2.gz YEBUGDHDBGIESK-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)cnc12 ZINC000564232107 484335581 /nfs/dbraw/zinc/33/55/81/484335581.db2.gz VBWURDVANLQCCW-UHFFFAOYSA-N 2 2 317.356 1.581 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000339748375 526358292 /nfs/dbraw/zinc/35/82/92/526358292.db2.gz CWISPMKYBFKHJY-UHFFFAOYSA-N 2 2 321.465 1.093 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000339748375 526358299 /nfs/dbraw/zinc/35/82/99/526358299.db2.gz CWISPMKYBFKHJY-UHFFFAOYSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000490915036 526949430 /nfs/dbraw/zinc/94/94/30/526949430.db2.gz LAYDAEVXAIUORG-QGZVFWFLSA-N 2 2 313.445 1.731 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000490778320 526949741 /nfs/dbraw/zinc/94/97/41/526949741.db2.gz DEADSWKYBOQHDY-SFHVURJKSA-N 2 2 311.429 1.253 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000490778320 526949745 /nfs/dbraw/zinc/94/97/45/526949745.db2.gz DEADSWKYBOQHDY-SFHVURJKSA-N 2 2 311.429 1.253 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000491741487 527213020 /nfs/dbraw/zinc/21/30/20/527213020.db2.gz IORATNHPFNILCN-IAGOWNOFSA-N 2 2 313.445 1.845 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000491741487 527213024 /nfs/dbraw/zinc/21/30/24/527213024.db2.gz IORATNHPFNILCN-IAGOWNOFSA-N 2 2 313.445 1.845 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000329908779 527959647 /nfs/dbraw/zinc/95/96/47/527959647.db2.gz MCANTHCTDZJZFZ-KKUMJFAQSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000329908779 527959650 /nfs/dbraw/zinc/95/96/50/527959650.db2.gz MCANTHCTDZJZFZ-KKUMJFAQSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000329908779 527959655 /nfs/dbraw/zinc/95/96/55/527959655.db2.gz MCANTHCTDZJZFZ-KKUMJFAQSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000329908779 527959660 /nfs/dbraw/zinc/95/96/60/527959660.db2.gz MCANTHCTDZJZFZ-KKUMJFAQSA-N 2 2 319.453 1.774 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330181809 529086723 /nfs/dbraw/zinc/08/67/23/529086723.db2.gz GXEZTWDXSVJISS-MCIONIFRSA-N 2 2 305.426 1.430 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330181809 529086728 /nfs/dbraw/zinc/08/67/28/529086728.db2.gz GXEZTWDXSVJISS-MCIONIFRSA-N 2 2 305.426 1.430 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268684 695197449 /nfs/dbraw/zinc/19/74/49/695197449.db2.gz ZGRHKKWRDHVDTB-UONOGXRCSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268684 695197450 /nfs/dbraw/zinc/19/74/50/695197450.db2.gz ZGRHKKWRDHVDTB-UONOGXRCSA-N 2 2 301.862 1.858 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753803 695727026 /nfs/dbraw/zinc/72/70/26/695727026.db2.gz QXWBVQUKKRCKKA-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753803 695727027 /nfs/dbraw/zinc/72/70/27/695727027.db2.gz QXWBVQUKKRCKKA-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028747 695780143 /nfs/dbraw/zinc/78/01/43/695780143.db2.gz MSIANRCQPKZARR-JSGCOSHPSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028747 695780146 /nfs/dbraw/zinc/78/01/46/695780146.db2.gz MSIANRCQPKZARR-JSGCOSHPSA-N 2 2 302.422 1.842 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538683 696795359 /nfs/dbraw/zinc/79/53/59/696795359.db2.gz IRSOVKWUQMZQHL-QGZVFWFLSA-N 2 2 323.400 1.488 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538683 696795360 /nfs/dbraw/zinc/79/53/60/696795360.db2.gz IRSOVKWUQMZQHL-QGZVFWFLSA-N 2 2 323.400 1.488 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740517 696899024 /nfs/dbraw/zinc/89/90/24/696899024.db2.gz RAZQQHOSAGTFAR-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740517 696899028 /nfs/dbraw/zinc/89/90/28/696899028.db2.gz RAZQQHOSAGTFAR-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985519447 697524348 /nfs/dbraw/zinc/52/43/48/697524348.db2.gz XBQHULRIHWECCP-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985519447 697524350 /nfs/dbraw/zinc/52/43/50/697524350.db2.gz XBQHULRIHWECCP-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987309829 698078236 /nfs/dbraw/zinc/07/82/36/698078236.db2.gz LBEDIIQRYBYRRO-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)c1 ZINC000303781038 698606524 /nfs/dbraw/zinc/60/65/24/698606524.db2.gz LYHITOIECSUZTL-HNNXBMFYSA-N 2 2 322.478 1.661 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166337 706648267 /nfs/dbraw/zinc/64/82/67/706648267.db2.gz UBDUSSZBLAVLTM-BBWFWOEESA-N 2 2 323.481 1.329 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166337 706648270 /nfs/dbraw/zinc/64/82/70/706648270.db2.gz UBDUSSZBLAVLTM-BBWFWOEESA-N 2 2 323.481 1.329 20 30 DDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCO1 ZINC000812756903 702234538 /nfs/dbraw/zinc/23/45/38/702234538.db2.gz CDASSGBIERHDKC-HZPDHXFCSA-N 2 2 308.422 1.174 20 30 DDEDLP C=C[C@H](C)ONC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845620496 703183284 /nfs/dbraw/zinc/18/32/84/703183284.db2.gz SVVGMFWPKHNRIV-HNNXBMFYSA-N 2 2 324.469 1.694 20 30 DDEDLP C=C[C@H](C)ONC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845620496 703183286 /nfs/dbraw/zinc/18/32/86/703183286.db2.gz SVVGMFWPKHNRIV-HNNXBMFYSA-N 2 2 324.469 1.694 20 30 DDEDLP C=C[C@H](C)ONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000845633178 703185111 /nfs/dbraw/zinc/18/51/11/703185111.db2.gz DJQHJAKHPBWVBF-HNNXBMFYSA-N 2 2 324.469 1.742 20 30 DDEDLP CON=Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855416349 704484497 /nfs/dbraw/zinc/48/44/97/704484497.db2.gz LTNJCKPKZRLHTJ-UHFFFAOYSA-N 2 2 320.437 1.280 20 30 DDEDLP CON=Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855416349 704484498 /nfs/dbraw/zinc/48/44/98/704484498.db2.gz LTNJCKPKZRLHTJ-UHFFFAOYSA-N 2 2 320.437 1.280 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000865611318 706477461 /nfs/dbraw/zinc/47/74/61/706477461.db2.gz DLOIWBYOEKFOLZ-UHFFFAOYSA-N 2 2 316.449 1.561 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000890371903 709844863 /nfs/dbraw/zinc/84/48/63/709844863.db2.gz DHYHACYVGBLDLR-HOTGVXAUSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000890371903 709844867 /nfs/dbraw/zinc/84/48/67/709844867.db2.gz DHYHACYVGBLDLR-HOTGVXAUSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CCSCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913664920 713277543 /nfs/dbraw/zinc/27/75/43/713277543.db2.gz QSJJBGYHYRIKDY-UHFFFAOYSA-N 2 2 304.419 1.138 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000923574022 714412126 /nfs/dbraw/zinc/41/21/26/714412126.db2.gz CGARYJLCRJAZFE-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000923574022 714412129 /nfs/dbraw/zinc/41/21/29/714412129.db2.gz CGARYJLCRJAZFE-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574022 714412131 /nfs/dbraw/zinc/41/21/31/714412131.db2.gz CGARYJLCRJAZFE-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574022 714412134 /nfs/dbraw/zinc/41/21/34/714412134.db2.gz CGARYJLCRJAZFE-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP N#Cc1ccccc1N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925726337 714921878 /nfs/dbraw/zinc/92/18/78/714921878.db2.gz RIXAWEKHELJASJ-INIZCTEOSA-N 2 2 300.406 1.105 20 30 DDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000939213928 716169944 /nfs/dbraw/zinc/16/99/44/716169944.db2.gz HGFAKWFKDXMUFX-CXAGYDPISA-N 2 2 323.400 1.461 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278223 716892466 /nfs/dbraw/zinc/89/24/66/716892466.db2.gz ZVGIBRZHGZGOHZ-HOTGVXAUSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278223 716892470 /nfs/dbraw/zinc/89/24/70/716892470.db2.gz ZVGIBRZHGZGOHZ-HOTGVXAUSA-N 2 2 314.433 1.454 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946836533 718922342 /nfs/dbraw/zinc/92/23/42/718922342.db2.gz GDYUEYRVIYLSLU-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946836533 718922345 /nfs/dbraw/zinc/92/23/45/718922345.db2.gz GDYUEYRVIYLSLU-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056049 719405363 /nfs/dbraw/zinc/40/53/63/719405363.db2.gz IGFGDKFQGLAGIC-DZGCQCFKSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056049 719405365 /nfs/dbraw/zinc/40/53/65/719405365.db2.gz IGFGDKFQGLAGIC-DZGCQCFKSA-N 2 2 303.406 1.415 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968535068 719650890 /nfs/dbraw/zinc/65/08/90/719650890.db2.gz VREYYTCXJORSRY-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968535068 719650892 /nfs/dbraw/zinc/65/08/92/719650892.db2.gz VREYYTCXJORSRY-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948760186 719692556 /nfs/dbraw/zinc/69/25/56/719692556.db2.gz VABAAKJESJEZAR-OAHLLOKOSA-N 2 2 302.422 1.871 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948926636 719788988 /nfs/dbraw/zinc/78/89/88/719788988.db2.gz AKKIGMRFEDMTHD-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022662 719927977 /nfs/dbraw/zinc/92/79/77/719927977.db2.gz GWVJCCPZWSCVHF-LSDHHAIUSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949534067 720144827 /nfs/dbraw/zinc/14/48/27/720144827.db2.gz NOBFDRDOHZSGQO-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949534067 720144828 /nfs/dbraw/zinc/14/48/28/720144828.db2.gz NOBFDRDOHZSGQO-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970001755 720593868 /nfs/dbraw/zinc/59/38/68/720593868.db2.gz SHOZZORTZVZVPQ-JSGCOSHPSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001755 720593872 /nfs/dbraw/zinc/59/38/72/720593872.db2.gz SHOZZORTZVZVPQ-JSGCOSHPSA-N 2 2 316.449 1.836 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970408340 720750873 /nfs/dbraw/zinc/75/08/73/720750873.db2.gz XBVOXZNWKAIGHD-JSGCOSHPSA-N 2 2 300.406 1.289 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000970776145 720932159 /nfs/dbraw/zinc/93/21/59/720932159.db2.gz AKUKCQPUZVQUIG-OAHLLOKOSA-N 2 2 319.474 1.873 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000970776145 720932163 /nfs/dbraw/zinc/93/21/63/720932163.db2.gz AKUKCQPUZVQUIG-OAHLLOKOSA-N 2 2 319.474 1.873 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504396 732446352 /nfs/dbraw/zinc/44/63/52/732446352.db2.gz FNRDWWQPYCKBAM-IIAWOOMASA-N 2 2 307.438 1.053 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504396 732446356 /nfs/dbraw/zinc/44/63/56/732446356.db2.gz FNRDWWQPYCKBAM-IIAWOOMASA-N 2 2 307.438 1.053 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001020636694 732584078 /nfs/dbraw/zinc/58/40/78/732584078.db2.gz DYQFLMYSCAKSNW-SHTZXODSSA-N 2 2 309.373 1.261 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224356 733280150 /nfs/dbraw/zinc/28/01/50/733280150.db2.gz FAYBBMMELQYILS-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP N#Cc1ccc(F)cc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355409 733281933 /nfs/dbraw/zinc/28/19/33/733281933.db2.gz GEAVZRUNUCSHBA-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021704711 733469104 /nfs/dbraw/zinc/46/91/04/733469104.db2.gz UPOOOLRCOVBBAD-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021704711 733469107 /nfs/dbraw/zinc/46/91/07/733469107.db2.gz UPOOOLRCOVBBAD-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001022122036 734398690 /nfs/dbraw/zinc/39/86/90/734398690.db2.gz OPBVSTBYEHPZLB-OKILXGFUSA-N 2 2 302.422 1.575 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024515841 735893047 /nfs/dbraw/zinc/89/30/47/735893047.db2.gz CWZIXSXIPVXZDH-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024515841 735893050 /nfs/dbraw/zinc/89/30/50/735893050.db2.gz CWZIXSXIPVXZDH-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647881 735999684 /nfs/dbraw/zinc/99/96/84/735999684.db2.gz WUHSITMLZCGUAO-JKSUJKDBSA-N 2 2 314.433 1.358 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647881 735999687 /nfs/dbraw/zinc/99/96/87/735999687.db2.gz 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ZINC001201338701 748490104 /nfs/dbraw/zinc/49/01/04/748490104.db2.gz UYAFAXSGTVOFCG-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706419 752286029 /nfs/dbraw/zinc/28/60/29/752286029.db2.gz QJBLPQBVZRKQBB-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706419 752286032 /nfs/dbraw/zinc/28/60/32/752286032.db2.gz QJBLPQBVZRKQBB-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207474 748921855 /nfs/dbraw/zinc/92/18/55/748921855.db2.gz OWIWGLYKAGLFJN-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207474 748921863 /nfs/dbraw/zinc/92/18/63/748921863.db2.gz OWIWGLYKAGLFJN-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203917 748922860 /nfs/dbraw/zinc/92/28/60/748922860.db2.gz UTLLANCFCQIATO-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203917 748922865 /nfs/dbraw/zinc/92/28/65/748922865.db2.gz UTLLANCFCQIATO-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213281 748949846 /nfs/dbraw/zinc/94/98/46/748949846.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213281 748949852 /nfs/dbraw/zinc/94/98/52/748949852.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430393 749351077 /nfs/dbraw/zinc/35/10/77/749351077.db2.gz RMRQTQMLJDNDIL-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430393 749351080 /nfs/dbraw/zinc/35/10/80/749351080.db2.gz RMRQTQMLJDNDIL-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202693683 749501637 /nfs/dbraw/zinc/50/16/37/749501637.db2.gz BUPITGGNDKIGSC-HNNXBMFYSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033786848 749884329 /nfs/dbraw/zinc/88/43/29/749884329.db2.gz AALPPAHEAFOXRT-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033786848 749884335 /nfs/dbraw/zinc/88/43/35/749884335.db2.gz AALPPAHEAFOXRT-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033786848 749884341 /nfs/dbraw/zinc/88/43/41/749884341.db2.gz AALPPAHEAFOXRT-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033786848 749884348 /nfs/dbraw/zinc/88/43/48/749884348.db2.gz AALPPAHEAFOXRT-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001039398457 761997678 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PFUSMCURXLIXFX-JKSUJKDBSA-N 2 2 318.421 1.069 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001074719540 774083998 /nfs/dbraw/zinc/08/39/98/774083998.db2.gz PDSUEGQRKJXHOK-IHRRRGAJSA-N 2 2 322.840 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778499 774593814 /nfs/dbraw/zinc/59/38/14/774593814.db2.gz UFCPXBRFTLZUSF-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778499 774593817 /nfs/dbraw/zinc/59/38/17/774593817.db2.gz UFCPXBRFTLZUSF-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907672 774715442 /nfs/dbraw/zinc/71/54/42/774715442.db2.gz KDRTXVNOAWGIQS-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907672 774715445 /nfs/dbraw/zinc/71/54/45/774715445.db2.gz KDRTXVNOAWGIQS-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914115 774719161 /nfs/dbraw/zinc/71/91/61/774719161.db2.gz MCJXKAHXQSBYFY-GUYCJALGSA-N 2 2 318.421 1.507 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914115 774719162 /nfs/dbraw/zinc/71/91/62/774719162.db2.gz MCJXKAHXQSBYFY-GUYCJALGSA-N 2 2 318.421 1.507 20 30 DDEDLP C=CCC[N@@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355187 775954843 /nfs/dbraw/zinc/95/48/43/775954843.db2.gz RMEJRLFYIPFYRY-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCC[N@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355187 775954853 /nfs/dbraw/zinc/95/48/53/775954853.db2.gz RMEJRLFYIPFYRY-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458132 776184425 /nfs/dbraw/zinc/18/44/25/776184425.db2.gz PCRQGPOJGWEHPZ-SLTAFYQDSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577536 776350194 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C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177131019 778455527 /nfs/dbraw/zinc/45/55/27/778455527.db2.gz JWZXYOZLNPDGGA-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177131019 778455533 /nfs/dbraw/zinc/45/55/33/778455533.db2.gz JWZXYOZLNPDGGA-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001271770151 844098515 /nfs/dbraw/zinc/09/85/15/844098515.db2.gz ISUHMZVNKAKUBU-SHTZXODSSA-N 2 2 302.422 1.488 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001271770151 844098518 /nfs/dbraw/zinc/09/85/18/844098518.db2.gz ISUHMZVNKAKUBU-SHTZXODSSA-N 2 2 302.422 1.488 20 30 DDEDLP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267746094 838829418 /nfs/dbraw/zinc/82/94/18/838829418.db2.gz QBWSLSUQJPMJFF-HZPDHXFCSA-N 2 2 316.449 1.880 20 30 DDEDLP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267746094 838829429 /nfs/dbraw/zinc/82/94/29/838829429.db2.gz QBWSLSUQJPMJFF-HZPDHXFCSA-N 2 2 316.449 1.880 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267751171 838850294 /nfs/dbraw/zinc/85/02/94/838850294.db2.gz YMEZKXIGEMUBKX-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267751171 838850307 /nfs/dbraw/zinc/85/03/07/838850307.db2.gz YMEZKXIGEMUBKX-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nccs1 ZINC001267806268 839009016 /nfs/dbraw/zinc/00/90/16/839009016.db2.gz MDICLFUGNLBDCN-KGLIPLIRSA-N 2 2 320.462 1.225 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nccs1 ZINC001267806268 839009026 /nfs/dbraw/zinc/00/90/26/839009026.db2.gz MDICLFUGNLBDCN-KGLIPLIRSA-N 2 2 320.462 1.225 20 30 DDEDLP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268107713 839696600 /nfs/dbraw/zinc/69/66/00/839696600.db2.gz CZNVTDBQJWTRGR-HOTGVXAUSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001268199454 839831047 /nfs/dbraw/zinc/83/10/47/839831047.db2.gz HKMQKOIPMMTNQH-UHFFFAOYSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288593 841473978 /nfs/dbraw/zinc/47/39/78/841473978.db2.gz XGXGNNVIBJNUDH-HUUCEWRRSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288593 841473982 /nfs/dbraw/zinc/47/39/82/841473982.db2.gz XGXGNNVIBJNUDH-HUUCEWRRSA-N 2 2 304.438 1.850 20 30 DDEDLP C#CC[NH2+]C[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001269626305 841870867 /nfs/dbraw/zinc/87/08/67/841870867.db2.gz OBOMGZROMFHVDN-IBGZPJMESA-N 2 2 322.412 1.994 20 30 DDEDLP C#CC[NH+]1CCC(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001270131244 842321347 /nfs/dbraw/zinc/32/13/47/842321347.db2.gz OIHYNCCETMQXLI-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001270998675 843120710 /nfs/dbraw/zinc/12/07/10/843120710.db2.gz HJJNSYKSXYMRGD-NVXWUHKLSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001270998675 843120713 /nfs/dbraw/zinc/12/07/13/843120713.db2.gz HJJNSYKSXYMRGD-NVXWUHKLSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271013546 843132865 /nfs/dbraw/zinc/13/28/65/843132865.db2.gz PLSPOMVGWOMWGG-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001271200869 843409526 /nfs/dbraw/zinc/40/95/26/843409526.db2.gz LHIMTKHWMKVEQW-WBVHZDCISA-N 2 2 320.437 1.353 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001271200869 843409535 /nfs/dbraw/zinc/40/95/35/843409535.db2.gz LHIMTKHWMKVEQW-WBVHZDCISA-N 2 2 320.437 1.353 20 30 DDEDLP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203536499 847134347 /nfs/dbraw/zinc/13/43/47/847134347.db2.gz WEDGCLSQPHVMEZ-LJQANCHMSA-N 2 2 311.429 1.887 20 30 DDEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001327994818 862620154 /nfs/dbraw/zinc/62/01/54/862620154.db2.gz CIMKKYQTLDZRBH-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001151237058 862697817 /nfs/dbraw/zinc/69/78/17/862697817.db2.gz MIEOLSVMQZVXSR-UHFFFAOYSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CC[NH2+]CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001121904099 858627735 /nfs/dbraw/zinc/62/77/35/858627735.db2.gz REZONCUTUILVKD-INIZCTEOSA-N 2 2 319.836 1.816 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013856 860595293 /nfs/dbraw/zinc/59/52/93/860595293.db2.gz LUNMMVQIHSPHMS-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013856 860595300 /nfs/dbraw/zinc/59/53/00/860595300.db2.gz LUNMMVQIHSPHMS-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329888230 863921857 /nfs/dbraw/zinc/92/18/57/863921857.db2.gz TXSXFDWPFWRUOU-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168050 881712193 /nfs/dbraw/zinc/71/21/93/881712193.db2.gz LCOJRYMEZIIOKH-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330170004 864121553 /nfs/dbraw/zinc/12/15/53/864121553.db2.gz FSNLBBOLEBVAEY-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330170004 864121557 /nfs/dbraw/zinc/12/15/57/864121557.db2.gz FSNLBBOLEBVAEY-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001158171735 864469067 /nfs/dbraw/zinc/46/90/67/864469067.db2.gz GGSCMOQZALGEAB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001158171735 864469074 /nfs/dbraw/zinc/46/90/74/864469074.db2.gz GGSCMOQZALGEAB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001331088497 864842287 /nfs/dbraw/zinc/84/22/87/864842287.db2.gz SXZUDVWTOLTKFC-UHFFFAOYSA-N 2 2 310.401 1.525 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001331492082 865115620 /nfs/dbraw/zinc/11/56/20/865115620.db2.gz YUQSJPCZIGHZOV-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C#CC[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001335504201 868347678 /nfs/dbraw/zinc/34/76/78/868347678.db2.gz LDCJWKWZTGDTKA-KRWDZBQOSA-N 2 2 314.433 1.473 20 30 DDEDLP COc1nc(C)nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C#N ZINC001164207223 869013222 /nfs/dbraw/zinc/01/32/22/869013222.db2.gz VWWJUQURXQFPMO-UHFFFAOYSA-N 2 2 318.425 1.103 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317328240 870650750 /nfs/dbraw/zinc/65/07/50/870650750.db2.gz ZXDFBEKRSHPTOA-IRXDYDNUSA-N 2 2 316.449 1.932 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2C#N)CCC1=O ZINC001204372711 871082828 /nfs/dbraw/zinc/08/28/28/871082828.db2.gz HKYOYJSOUKHUHR-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2C#N)CCC1=O ZINC001204372711 871082834 /nfs/dbraw/zinc/08/28/34/871082834.db2.gz HKYOYJSOUKHUHR-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553484 871624016 /nfs/dbraw/zinc/62/40/16/871624016.db2.gz ZDXHOJJSIUYFBR-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084301 873821678 /nfs/dbraw/zinc/82/16/78/873821678.db2.gz NVFDKPGNVWVNRT-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC001209558016 874967419 /nfs/dbraw/zinc/96/74/19/874967419.db2.gz BRNRQWDGGGNLBD-UHFFFAOYSA-N 2 2 303.454 1.510 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700306 875062406 /nfs/dbraw/zinc/06/24/06/875062406.db2.gz SQMFFKZJGZCDEN-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213781857 876055034 /nfs/dbraw/zinc/05/50/34/876055034.db2.gz YEPPKNIHWANNKL-HUUCEWRRSA-N 2 2 306.410 1.042 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213781857 876055050 /nfs/dbraw/zinc/05/50/50/876055050.db2.gz YEPPKNIHWANNKL-HUUCEWRRSA-N 2 2 306.410 1.042 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988123 876529050 /nfs/dbraw/zinc/52/90/50/876529050.db2.gz KHKVMASZLKVZKQ-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219112308 877929888 /nfs/dbraw/zinc/92/98/88/877929888.db2.gz CGVZLKHYOMBAKJ-ZDUSSCGKSA-N 2 2 301.325 1.248 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1 ZINC001219270341 878073322 /nfs/dbraw/zinc/07/33/22/878073322.db2.gz FWWUSCUWAKRJFG-YOEHRIQHSA-N 2 2 306.369 1.853 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001356619745 879133680 /nfs/dbraw/zinc/13/36/80/879133680.db2.gz SNFYQIMQHMFNTP-SFHVURJKSA-N 2 2 302.418 1.251 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091985 880237942 /nfs/dbraw/zinc/23/79/42/880237942.db2.gz GBOBXMCWEAKTCJ-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001228075101 883319776 /nfs/dbraw/zinc/31/97/76/883319776.db2.gz NRKLBZJXHQGYPI-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229384911 883952853 /nfs/dbraw/zinc/95/28/53/883952853.db2.gz LSHXOVFFVALATL-HNNXBMFYSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CC[N@@H+](CCOC)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001277405328 884087776 /nfs/dbraw/zinc/08/77/76/884087776.db2.gz OUPZOBNKLPQSJK-UHFFFAOYSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CC[N@H+](CCOC)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001277405328 884087792 /nfs/dbraw/zinc/08/77/92/884087792.db2.gz OUPZOBNKLPQSJK-UHFFFAOYSA-N 2 2 320.437 1.399 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCOCC ZINC001235471669 888665514 /nfs/dbraw/zinc/66/55/14/888665514.db2.gz OWYCPQIJNOOVKS-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCOCC ZINC001235471669 888665519 /nfs/dbraw/zinc/66/55/19/888665519.db2.gz OWYCPQIJNOOVKS-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCOCC ZINC001235471669 888665521 /nfs/dbraw/zinc/66/55/21/888665521.db2.gz OWYCPQIJNOOVKS-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCOCC ZINC001235471669 888665526 /nfs/dbraw/zinc/66/55/26/888665526.db2.gz OWYCPQIJNOOVKS-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)COc1ccccc1C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001236158613 889121334 /nfs/dbraw/zinc/12/13/34/889121334.db2.gz AOUVZIVWRQSIBM-UHFFFAOYSA-N 2 2 301.434 1.731 20 30 DDEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001251847302 894838224 /nfs/dbraw/zinc/83/82/24/894838224.db2.gz CSORHFJKXYVYIT-IBGZPJMESA-N 2 2 316.445 1.594 20 30 DDEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001251847302 894838237 /nfs/dbraw/zinc/83/82/37/894838237.db2.gz CSORHFJKXYVYIT-IBGZPJMESA-N 2 2 316.445 1.594 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001252596295 895303340 /nfs/dbraw/zinc/30/33/40/895303340.db2.gz QFQKHXBUSJRSKX-CQSZACIVSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001252596295 895303354 /nfs/dbraw/zinc/30/33/54/895303354.db2.gz QFQKHXBUSJRSKX-CQSZACIVSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252596295 895303366 /nfs/dbraw/zinc/30/33/66/895303366.db2.gz QFQKHXBUSJRSKX-CQSZACIVSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252596295 895303379 /nfs/dbraw/zinc/30/33/79/895303379.db2.gz QFQKHXBUSJRSKX-CQSZACIVSA-N 2 2 306.454 1.935 20 30 DDEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001254345009 896381691 /nfs/dbraw/zinc/38/16/91/896381691.db2.gz MQQXBLXLNPOLBL-JCCCHCCOSA-N 2 2 303.381 1.845 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001367973264 898363040 /nfs/dbraw/zinc/36/30/40/898363040.db2.gz ARZSCBYIUCRNPR-ZDUSSCGKSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001367973264 898363056 /nfs/dbraw/zinc/36/30/56/898363056.db2.gz ARZSCBYIUCRNPR-ZDUSSCGKSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001367973264 898363068 /nfs/dbraw/zinc/36/30/68/898363068.db2.gz ARZSCBYIUCRNPR-ZDUSSCGKSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001367973264 898363082 /nfs/dbraw/zinc/36/30/82/898363082.db2.gz ARZSCBYIUCRNPR-ZDUSSCGKSA-N 2 2 320.462 1.650 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001264435287 901121655 /nfs/dbraw/zinc/12/16/55/901121655.db2.gz DZMKKQAWJUCJIP-SHTZXODSSA-N 2 2 312.417 1.856 20 30 DDEDLP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264631845 901233581 /nfs/dbraw/zinc/23/35/81/901233581.db2.gz CGDOGFZTIRHCMZ-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264631845 901233595 /nfs/dbraw/zinc/23/35/95/901233595.db2.gz CGDOGFZTIRHCMZ-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001265332728 901896064 /nfs/dbraw/zinc/89/60/64/901896064.db2.gz ZYAODOSXGSVTAD-JKSUJKDBSA-N 2 2 314.433 1.828 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390365 901960092 /nfs/dbraw/zinc/96/00/92/901960092.db2.gz DEYMJRKZZGHHHK-HOTGVXAUSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390365 901960102 /nfs/dbraw/zinc/96/01/02/901960102.db2.gz DEYMJRKZZGHHHK-HOTGVXAUSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001279184178 903190478 /nfs/dbraw/zinc/19/04/78/903190478.db2.gz UZACSHYMHZZYIR-UONOGXRCSA-N 2 2 304.438 1.948 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280759098 903998956 /nfs/dbraw/zinc/99/89/56/903998956.db2.gz JJQJELLLXRJMFG-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280759098 903998965 /nfs/dbraw/zinc/99/89/65/903998965.db2.gz JJQJELLLXRJMFG-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001283928228 908195934 /nfs/dbraw/zinc/19/59/34/908195934.db2.gz RGNBMYZDSZFDFU-UONOGXRCSA-N 2 2 306.410 1.042 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284055772 908404947 /nfs/dbraw/zinc/40/49/47/908404947.db2.gz CAVXDCAGXMKWFR-WMLDXEAASA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278530127 214215351 /nfs/dbraw/zinc/21/53/51/214215351.db2.gz DXGAWXXNRRAEIO-AWEZNQCLSA-N 2 2 301.390 1.371 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000119533692 185757937 /nfs/dbraw/zinc/75/79/37/185757937.db2.gz XSQNMUYPEYWWRJ-UHFFFAOYSA-N 2 2 304.463 1.833 20 30 DDEDLP C=C(C)COc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000623836995 366080701 /nfs/dbraw/zinc/08/07/01/366080701.db2.gz SXDUDFASRYRCMM-INIZCTEOSA-N 2 2 320.433 1.806 20 30 DDEDLP C=C(C)COc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)ccc1OC ZINC000623836995 366080710 /nfs/dbraw/zinc/08/07/10/366080710.db2.gz SXDUDFASRYRCMM-INIZCTEOSA-N 2 2 320.433 1.806 20 30 DDEDLP N#Cc1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422990268 283182001 /nfs/dbraw/zinc/18/20/01/283182001.db2.gz NBFLVKIZJBUFMS-SJORKVTESA-N 2 2 301.390 1.294 20 30 DDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977225 359335516 /nfs/dbraw/zinc/33/55/16/359335516.db2.gz ZGFWVVLGBCHSEU-CJNGLKHVSA-N 2 2 304.438 1.353 20 30 DDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602977225 359335520 /nfs/dbraw/zinc/33/55/20/359335520.db2.gz ZGFWVVLGBCHSEU-CJNGLKHVSA-N 2 2 304.438 1.353 20 30 DDEDLP [O-]C(NC[C@@H]1CCCn2cc[nH+]c21)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330195992 223086436 /nfs/dbraw/zinc/08/64/36/223086436.db2.gz PNPUNBKNWOAMNF-STQMWFEESA-N 2 2 314.393 1.476 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000330195992 223086438 /nfs/dbraw/zinc/08/64/38/223086438.db2.gz PNPUNBKNWOAMNF-STQMWFEESA-N 2 2 314.393 1.476 20 30 DDEDLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000340594381 223281847 /nfs/dbraw/zinc/28/18/47/223281847.db2.gz GYDIDQOQUGXQBV-UHFFFAOYSA-N 2 2 315.421 1.274 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000265022596 204348130 /nfs/dbraw/zinc/34/81/30/204348130.db2.gz SOUPGOGPKZLLOA-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000265022596 204348132 /nfs/dbraw/zinc/34/81/32/204348132.db2.gz SOUPGOGPKZLLOA-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000369835962 285028872 /nfs/dbraw/zinc/02/88/72/285028872.db2.gz RBCCGXJPWXCHSM-SFFUCWETSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000369835962 285028873 /nfs/dbraw/zinc/02/88/73/285028873.db2.gz RBCCGXJPWXCHSM-SFFUCWETSA-N 2 2 321.465 1.927 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(CC)c2)CC1 ZINC001120501225 781988290 /nfs/dbraw/zinc/98/82/90/781988290.db2.gz UWBWYDSYGRCVHU-SFHVURJKSA-N 2 2 316.445 1.676 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115632 304336821 /nfs/dbraw/zinc/33/68/21/304336821.db2.gz PDUQIPQHBFYDCT-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115632 304336823 /nfs/dbraw/zinc/33/68/23/304336823.db2.gz PDUQIPQHBFYDCT-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115632 304336824 /nfs/dbraw/zinc/33/68/24/304336824.db2.gz PDUQIPQHBFYDCT-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115632 304336826 /nfs/dbraw/zinc/33/68/26/304336826.db2.gz PDUQIPQHBFYDCT-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#N)c1 ZINC000122985385 407315784 /nfs/dbraw/zinc/31/57/84/407315784.db2.gz BCVGHYFWFNPIMD-UHFFFAOYSA-N 2 2 314.433 1.656 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#N)c1 ZINC000122985385 407315785 /nfs/dbraw/zinc/31/57/85/407315785.db2.gz BCVGHYFWFNPIMD-UHFFFAOYSA-N 2 2 314.433 1.656 20 30 DDEDLP CCc1ccc([C@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+](C)C)cc1 ZINC000104155513 407348596 /nfs/dbraw/zinc/34/85/96/407348596.db2.gz LJWAPIUZGNHTNH-BBRMVZONSA-N 2 2 306.454 1.791 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1C#N ZINC000112921423 407449675 /nfs/dbraw/zinc/44/96/75/407449675.db2.gz CWNSJGKPYOFGME-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1C#N ZINC000112921423 407449680 /nfs/dbraw/zinc/44/96/80/407449680.db2.gz CWNSJGKPYOFGME-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829807 407730636 /nfs/dbraw/zinc/73/06/36/407730636.db2.gz DSUNRXYDRVZQQU-ZBFHGGJFSA-N 2 2 302.422 1.485 20 30 DDEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829807 407730642 /nfs/dbraw/zinc/73/06/42/407730642.db2.gz DSUNRXYDRVZQQU-ZBFHGGJFSA-N 2 2 302.422 1.485 20 30 DDEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036118 407948891 /nfs/dbraw/zinc/94/88/91/407948891.db2.gz HYYQNBBUAQMOBD-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036098 407949282 /nfs/dbraw/zinc/94/92/82/407949282.db2.gz HYYQNBBUAQMOBD-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP COc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000268445335 408048041 /nfs/dbraw/zinc/04/80/41/408048041.db2.gz DXCFIFXEVIYRDL-UHFFFAOYSA-N 2 2 314.389 1.989 20 30 DDEDLP C=C(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000156628378 408265014 /nfs/dbraw/zinc/26/50/14/408265014.db2.gz KSXATJLDOKTSDY-XYPWUTKMSA-N 2 2 306.454 1.515 20 30 DDEDLP C=C(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000156628378 408265021 /nfs/dbraw/zinc/26/50/21/408265021.db2.gz KSXATJLDOKTSDY-XYPWUTKMSA-N 2 2 306.454 1.515 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023365 409308806 /nfs/dbraw/zinc/30/88/06/409308806.db2.gz NWYLZCUDNGSSHN-CQSZACIVSA-N 2 2 308.447 1.696 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000329743352 410431287 /nfs/dbraw/zinc/43/12/87/410431287.db2.gz PXYGWOKOWHRTMU-LALPHHSUSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000329743352 410431291 /nfs/dbraw/zinc/43/12/91/410431291.db2.gz PXYGWOKOWHRTMU-LALPHHSUSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000329743352 410431294 /nfs/dbraw/zinc/43/12/94/410431294.db2.gz PXYGWOKOWHRTMU-LALPHHSUSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000329743352 410431297 /nfs/dbraw/zinc/43/12/97/410431297.db2.gz PXYGWOKOWHRTMU-LALPHHSUSA-N 2 2 303.410 1.207 20 30 DDEDLP CC[C@@]1(C)COCC[NH+]1CC#CC[N@H+]1CCOC[C@]1(C)CC ZINC000341908461 411083961 /nfs/dbraw/zinc/08/39/61/411083961.db2.gz DKNKJJZRTGJBKP-ROUUACIJSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@@]1(C)COCC[NH+]1CC#CC[N@@H+]1CCOC[C@]1(C)CC ZINC000341908461 411083967 /nfs/dbraw/zinc/08/39/67/411083967.db2.gz DKNKJJZRTGJBKP-ROUUACIJSA-N 2 2 308.466 1.992 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCS1 ZINC000157395529 221680269 /nfs/dbraw/zinc/68/02/69/221680269.db2.gz ZPTIVWMOAMSOOB-AWEZNQCLSA-N 2 2 321.494 1.823 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000366835236 418523814 /nfs/dbraw/zinc/52/38/14/418523814.db2.gz XYPOZLKOZGVACU-CQSZACIVSA-N 2 2 317.437 1.569 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367102238 418559653 /nfs/dbraw/zinc/55/96/53/418559653.db2.gz GOUQFCOUUDMOPC-OAHLLOKOSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367102238 418559658 /nfs/dbraw/zinc/55/96/58/418559658.db2.gz GOUQFCOUUDMOPC-OAHLLOKOSA-N 2 2 314.433 1.116 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000246151035 222220460 /nfs/dbraw/zinc/22/04/60/222220460.db2.gz FZZPXGTVXFIZAS-YOEHRIQHSA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000246151035 222220463 /nfs/dbraw/zinc/22/04/63/222220463.db2.gz FZZPXGTVXFIZAS-YOEHRIQHSA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000247486174 222229451 /nfs/dbraw/zinc/22/94/51/222229451.db2.gz KOEGSUDJFGOVQS-MAUKXSAKSA-N 2 2 318.465 1.603 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000247486174 222229454 /nfs/dbraw/zinc/22/94/54/222229454.db2.gz KOEGSUDJFGOVQS-MAUKXSAKSA-N 2 2 318.465 1.603 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261685795 222254844 /nfs/dbraw/zinc/25/48/44/222254844.db2.gz AJNJJZPLGAYELX-ZDUSSCGKSA-N 2 2 301.394 1.428 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCS1 ZINC000262020580 222271070 /nfs/dbraw/zinc/27/10/70/222271070.db2.gz YTQVBYHIEIVZPN-GFCCVEGCSA-N 2 2 302.513 1.096 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262460077 222282431 /nfs/dbraw/zinc/28/24/31/222282431.db2.gz MFOXAMHHCXGRKV-GFCCVEGCSA-N 2 2 314.393 1.111 20 30 DDEDLP C#CCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367541538 418609931 /nfs/dbraw/zinc/60/99/31/418609931.db2.gz HVICBOKOSBXDRV-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367541538 418609934 /nfs/dbraw/zinc/60/99/34/418609934.db2.gz HVICBOKOSBXDRV-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000263230184 222305956 /nfs/dbraw/zinc/30/59/56/222305956.db2.gz BZLZKPORIWARCS-HNNXBMFYSA-N 2 2 304.463 1.671 20 30 DDEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000263230184 222305959 /nfs/dbraw/zinc/30/59/59/222305959.db2.gz BZLZKPORIWARCS-HNNXBMFYSA-N 2 2 304.463 1.671 20 30 DDEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606100 418723053 /nfs/dbraw/zinc/72/30/53/418723053.db2.gz CVAIXUHIVOVPAQ-ZBFHGGJFSA-N 2 2 310.405 1.575 20 30 DDEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606100 418723055 /nfs/dbraw/zinc/72/30/55/418723055.db2.gz CVAIXUHIVOVPAQ-ZBFHGGJFSA-N 2 2 310.405 1.575 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692778 418801793 /nfs/dbraw/zinc/80/17/93/418801793.db2.gz AOHPSYDIHCOPRA-PVAVHDDUSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692778 418801796 /nfs/dbraw/zinc/80/17/96/418801796.db2.gz AOHPSYDIHCOPRA-PVAVHDDUSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364692778 418801799 /nfs/dbraw/zinc/80/17/99/418801799.db2.gz AOHPSYDIHCOPRA-PVAVHDDUSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364692778 418801800 /nfs/dbraw/zinc/80/18/00/418801800.db2.gz AOHPSYDIHCOPRA-PVAVHDDUSA-N 2 2 316.449 1.697 20 30 DDEDLP CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000560975115 421301174 /nfs/dbraw/zinc/30/11/74/421301174.db2.gz JNYTZGKEHDDRBF-ZDUSSCGKSA-N 2 2 317.393 1.064 20 30 DDEDLP CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000560975115 421301179 /nfs/dbraw/zinc/30/11/79/421301179.db2.gz JNYTZGKEHDDRBF-ZDUSSCGKSA-N 2 2 317.393 1.064 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000514636308 421441312 /nfs/dbraw/zinc/44/13/12/421441312.db2.gz XBNSJQOHYQSMRT-GFCCVEGCSA-N 2 2 306.435 1.605 20 30 DDEDLP CC1CC(C#N)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000531755170 421643699 /nfs/dbraw/zinc/64/36/99/421643699.db2.gz CMFSUDJYFSGBBV-UHFFFAOYSA-N 2 2 318.465 1.601 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000592155094 422331088 /nfs/dbraw/zinc/33/10/88/422331088.db2.gz XTSOQHIIWYCILB-CQSZACIVSA-N 2 2 311.389 1.784 20 30 DDEDLP C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075123 423292221 /nfs/dbraw/zinc/29/22/21/423292221.db2.gz GHNTYTQVFBVMLM-INIZCTEOSA-N 2 2 305.422 1.489 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673868 424745193 /nfs/dbraw/zinc/74/51/93/424745193.db2.gz JDLKBVKXPXIQHE-HNNXBMFYSA-N 2 2 301.434 1.931 20 30 DDEDLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579425 267067982 /nfs/dbraw/zinc/06/79/82/267067982.db2.gz BLXNOEULUUZYOW-QAPCUYQASA-N 2 2 319.449 1.880 20 30 DDEDLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579425 267067983 /nfs/dbraw/zinc/06/79/83/267067983.db2.gz BLXNOEULUUZYOW-QAPCUYQASA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579425 267067986 /nfs/dbraw/zinc/06/79/86/267067986.db2.gz BLXNOEULUUZYOW-QAPCUYQASA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000519579425 267067988 /nfs/dbraw/zinc/06/79/88/267067988.db2.gz BLXNOEULUUZYOW-QAPCUYQASA-N 2 2 319.449 1.880 20 30 DDEDLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000330258199 278169314 /nfs/dbraw/zinc/16/93/14/278169314.db2.gz MERGFRZYYGRIDP-HNNXBMFYSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000330258199 278169315 /nfs/dbraw/zinc/16/93/15/278169315.db2.gz MERGFRZYYGRIDP-HNNXBMFYSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330258199 278169318 /nfs/dbraw/zinc/16/93/18/278169318.db2.gz MERGFRZYYGRIDP-HNNXBMFYSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330258199 278169319 /nfs/dbraw/zinc/16/93/19/278169319.db2.gz MERGFRZYYGRIDP-HNNXBMFYSA-N 2 2 322.453 1.124 20 30 DDEDLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329833471 278195662 /nfs/dbraw/zinc/19/56/62/278195662.db2.gz KRVYVGDWAZVTCJ-QLFBSQMISA-N 2 2 319.453 1.979 20 30 DDEDLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329833471 278195664 /nfs/dbraw/zinc/19/56/64/278195664.db2.gz KRVYVGDWAZVTCJ-QLFBSQMISA-N 2 2 319.453 1.979 20 30 DDEDLP C=CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573609207 341733486 /nfs/dbraw/zinc/73/34/86/341733486.db2.gz XIYJRDRCMAELLO-LSDHHAIUSA-N 2 2 303.406 1.541 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000339755801 526357677 /nfs/dbraw/zinc/35/76/77/526357677.db2.gz XZEIKKRTINLXQA-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000339755801 526357683 /nfs/dbraw/zinc/35/76/83/526357683.db2.gz XZEIKKRTINLXQA-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000491704453 526982617 /nfs/dbraw/zinc/98/26/17/526982617.db2.gz IWSFBESPPMBGCD-AWEZNQCLSA-N 2 2 305.447 1.614 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000490951399 527016374 /nfs/dbraw/zinc/01/63/74/527016374.db2.gz XPZZWJCJBWGCLC-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491372536 527212786 /nfs/dbraw/zinc/21/27/86/527212786.db2.gz JLBQTZFYIBEZHL-CQSZACIVSA-N 2 2 305.447 1.346 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491372536 527212791 /nfs/dbraw/zinc/21/27/91/527212791.db2.gz JLBQTZFYIBEZHL-CQSZACIVSA-N 2 2 305.447 1.346 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341123695 527935479 /nfs/dbraw/zinc/93/54/79/527935479.db2.gz INTQNQRUXUNGSA-HOCLYGCPSA-N 2 2 305.426 1.648 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341123695 527935486 /nfs/dbraw/zinc/93/54/86/527935486.db2.gz INTQNQRUXUNGSA-HOCLYGCPSA-N 2 2 305.426 1.648 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980234958 696715121 /nfs/dbraw/zinc/71/51/21/696715121.db2.gz YMKDDHRJHXQNDY-JYJNAYRXSA-N 2 2 314.433 1.501 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980234958 696715123 /nfs/dbraw/zinc/71/51/23/696715123.db2.gz YMKDDHRJHXQNDY-JYJNAYRXSA-N 2 2 314.433 1.501 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043911 695784338 /nfs/dbraw/zinc/78/43/38/695784338.db2.gz WDHACHQUZDOPAK-GDBMZVCRSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043911 695784339 /nfs/dbraw/zinc/78/43/39/695784339.db2.gz WDHACHQUZDOPAK-GDBMZVCRSA-N 2 2 314.433 1.214 20 30 DDEDLP C=C(Br)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126497885 696762572 /nfs/dbraw/zinc/76/25/72/696762572.db2.gz HXAXFKCPOPTIBB-UHFFFAOYSA-N 2 2 304.276 1.853 20 30 DDEDLP C=C(Br)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126497885 696762574 /nfs/dbraw/zinc/76/25/74/696762574.db2.gz HXAXFKCPOPTIBB-UHFFFAOYSA-N 2 2 304.276 1.853 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980475579 696782431 /nfs/dbraw/zinc/78/24/31/696782431.db2.gz GXWOGXKFKJOWDT-OAHLLOKOSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980475579 696782434 /nfs/dbraw/zinc/78/24/34/696782434.db2.gz GXWOGXKFKJOWDT-OAHLLOKOSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000980475579 696782435 /nfs/dbraw/zinc/78/24/35/696782435.db2.gz GXWOGXKFKJOWDT-OAHLLOKOSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980475579 696782437 /nfs/dbraw/zinc/78/24/37/696782437.db2.gz GXWOGXKFKJOWDT-OAHLLOKOSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851737 696942573 /nfs/dbraw/zinc/94/25/73/696942573.db2.gz ULZHUZXVQOHOLS-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851737 696942575 /nfs/dbraw/zinc/94/25/75/696942575.db2.gz ULZHUZXVQOHOLS-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159986149 697314158 /nfs/dbraw/zinc/31/41/58/697314158.db2.gz GHUSUIFSOUASBR-JYJNAYRXSA-N 2 2 319.453 1.911 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515607 697523837 /nfs/dbraw/zinc/52/38/37/697523837.db2.gz LXRXNPMBUHGROH-AWEZNQCLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515607 697523839 /nfs/dbraw/zinc/52/38/39/697523839.db2.gz LXRXNPMBUHGROH-AWEZNQCLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515607 697523841 /nfs/dbraw/zinc/52/38/41/697523841.db2.gz LXRXNPMBUHGROH-AWEZNQCLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515607 697523842 /nfs/dbraw/zinc/52/38/42/697523842.db2.gz LXRXNPMBUHGROH-AWEZNQCLSA-N 2 2 314.433 1.379 20 30 DDEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCC1CCC1 ZINC000303892597 698609684 /nfs/dbraw/zinc/60/96/84/698609684.db2.gz NQKZYHIIZPGOMJ-UHFFFAOYSA-N 2 2 316.449 1.723 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304264766 698616754 /nfs/dbraw/zinc/61/67/54/698616754.db2.gz CSULEYIBZXXGIA-OAHLLOKOSA-N 3 2 309.502 1.640 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458765 698630519 /nfs/dbraw/zinc/63/05/19/698630519.db2.gz ORNZSXCVPDGQIZ-IBGZPJMESA-N 2 2 313.445 1.631 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458765 698630520 /nfs/dbraw/zinc/63/05/20/698630520.db2.gz ORNZSXCVPDGQIZ-IBGZPJMESA-N 2 2 313.445 1.631 20 30 DDEDLP C=CCNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741874745 699855459 /nfs/dbraw/zinc/85/54/59/699855459.db2.gz JPYXADVPACQJMF-UHFFFAOYSA-N 2 2 310.511 1.587 20 30 DDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)/N=C/c1ccc(O)c(O)c1O ZINC000849171185 703623254 /nfs/dbraw/zinc/62/32/54/703623254.db2.gz ZFPQVBPJZBBKBA-VAKHEIKFSA-N 2 2 309.410 1.494 20 30 DDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)/N=C/c1ccc(O)c(O)c1O ZINC000849171185 703623255 /nfs/dbraw/zinc/62/32/55/703623255.db2.gz ZFPQVBPJZBBKBA-VAKHEIKFSA-N 2 2 309.410 1.494 20 30 DDEDLP Cc1ncc(CO)c(/C=N\[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1O ZINC000849170174 703623342 /nfs/dbraw/zinc/62/33/42/703623342.db2.gz LVOZGYXTALODSI-VQIMKDEXSA-N 2 2 322.453 1.279 20 30 DDEDLP Cc1ncc(CO)c(/C=N\[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000849170174 703623343 /nfs/dbraw/zinc/62/33/43/703623343.db2.gz LVOZGYXTALODSI-VQIMKDEXSA-N 2 2 322.453 1.279 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CCC[NH2+]1 ZINC000852869382 704154989 /nfs/dbraw/zinc/15/49/89/704154989.db2.gz DURNRXXFDZOKAJ-INIZCTEOSA-N 2 2 315.408 1.873 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CCC[NH2+]1 ZINC000852869382 704154990 /nfs/dbraw/zinc/15/49/90/704154990.db2.gz DURNRXXFDZOKAJ-INIZCTEOSA-N 2 2 315.408 1.873 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000876727988 705842708 /nfs/dbraw/zinc/84/27/08/705842708.db2.gz FKHDTJNKXAXYFE-GOSISDBHSA-N 2 2 324.428 1.299 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865194551 706377740 /nfs/dbraw/zinc/37/77/40/706377740.db2.gz YTARCUOABMIVHA-ARJAWSKDSA-N 2 2 307.438 1.032 20 30 DDEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727735 706507607 /nfs/dbraw/zinc/50/76/07/706507607.db2.gz GNFPQWGEYRRSTL-HNNXBMFYSA-N 2 2 316.405 1.392 20 30 DDEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727735 706507609 /nfs/dbraw/zinc/50/76/09/706507609.db2.gz GNFPQWGEYRRSTL-HNNXBMFYSA-N 2 2 316.405 1.392 20 30 DDEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000883238584 707958808 /nfs/dbraw/zinc/95/88/08/707958808.db2.gz GXECQJVXJDARBN-JYJNAYRXSA-N 2 2 309.454 1.430 20 30 DDEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000883238584 707958810 /nfs/dbraw/zinc/95/88/10/707958810.db2.gz GXECQJVXJDARBN-JYJNAYRXSA-N 2 2 309.454 1.430 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000884086829 708133001 /nfs/dbraw/zinc/13/30/01/708133001.db2.gz JNYUHPRAMLMLJY-OAHLLOKOSA-N 2 2 303.410 1.060 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000884086829 708133002 /nfs/dbraw/zinc/13/30/02/708133002.db2.gz JNYUHPRAMLMLJY-OAHLLOKOSA-N 2 2 303.410 1.060 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000890371241 709843762 /nfs/dbraw/zinc/84/37/62/709843762.db2.gz QAOOTLMIAXJPPK-JKSUJKDBSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000890371241 709843766 /nfs/dbraw/zinc/84/37/66/709843766.db2.gz QAOOTLMIAXJPPK-JKSUJKDBSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000890371241 709843772 /nfs/dbraw/zinc/84/37/72/709843772.db2.gz QAOOTLMIAXJPPK-JKSUJKDBSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000890371241 709843776 /nfs/dbraw/zinc/84/37/76/709843776.db2.gz QAOOTLMIAXJPPK-JKSUJKDBSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000932171564 714278117 /nfs/dbraw/zinc/27/81/17/714278117.db2.gz GYSMFHRUOKZPPE-UHFFFAOYSA-N 2 2 301.394 1.367 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000923424998 714351717 /nfs/dbraw/zinc/35/17/17/714351717.db2.gz VWVPXXVEXQUZNC-SRABZTEZSA-N 2 2 317.433 1.746 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000923424998 714351719 /nfs/dbraw/zinc/35/17/19/714351719.db2.gz VWVPXXVEXQUZNC-SRABZTEZSA-N 2 2 317.433 1.746 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000923560037 714403040 /nfs/dbraw/zinc/40/30/40/714403040.db2.gz XTKFELRPCBZGBF-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000923560037 714403042 /nfs/dbraw/zinc/40/30/42/714403042.db2.gz XTKFELRPCBZGBF-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560037 714403043 /nfs/dbraw/zinc/40/30/43/714403043.db2.gz XTKFELRPCBZGBF-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560037 714403045 /nfs/dbraw/zinc/40/30/45/714403045.db2.gz XTKFELRPCBZGBF-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000923570456 714410130 /nfs/dbraw/zinc/41/01/30/714410130.db2.gz VNPOTRVJEBRQES-CQSZACIVSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000923570456 714410133 /nfs/dbraw/zinc/41/01/33/714410133.db2.gz VNPOTRVJEBRQES-CQSZACIVSA-N 2 2 305.447 1.637 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000964067387 717990691 /nfs/dbraw/zinc/99/06/91/717990691.db2.gz RBNDQAZWKSGXJU-OQDWRCPYSA-N 2 2 314.433 1.649 20 30 DDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925645295 714906261 /nfs/dbraw/zinc/90/62/61/714906261.db2.gz PILAMMZILJNJJP-PCKAHOCUSA-N 2 2 316.405 1.221 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961229073 716870745 /nfs/dbraw/zinc/87/07/45/716870745.db2.gz HAMNLLWFPLHLIL-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961229073 716870751 /nfs/dbraw/zinc/87/07/51/716870751.db2.gz HAMNLLWFPLHLIL-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166305 717119760 /nfs/dbraw/zinc/11/97/60/717119760.db2.gz FNXKVKVXOXWTIR-OAHLLOKOSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166305 717119761 /nfs/dbraw/zinc/11/97/61/717119761.db2.gz FNXKVKVXOXWTIR-OAHLLOKOSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947437528 719163235 /nfs/dbraw/zinc/16/32/35/719163235.db2.gz RZJWYMWXHGBAFT-HIFRSBDPSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947437528 719163237 /nfs/dbraw/zinc/16/32/37/719163237.db2.gz RZJWYMWXHGBAFT-HIFRSBDPSA-N 2 2 303.406 1.788 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947889711 719299130 /nfs/dbraw/zinc/29/91/30/719299130.db2.gz DXXSYTZZQZJJOL-LSDHHAIUSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947889711 719299133 /nfs/dbraw/zinc/29/91/33/719299133.db2.gz DXXSYTZZQZJJOL-LSDHHAIUSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898280 719773382 /nfs/dbraw/zinc/77/33/82/719773382.db2.gz HBTZZIOUUOYEJE-ROUUACIJSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898280 719773384 /nfs/dbraw/zinc/77/33/84/719773384.db2.gz HBTZZIOUUOYEJE-ROUUACIJSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898280 719773386 /nfs/dbraw/zinc/77/33/86/719773386.db2.gz HBTZZIOUUOYEJE-ROUUACIJSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898280 719773391 /nfs/dbraw/zinc/77/33/91/719773391.db2.gz HBTZZIOUUOYEJE-ROUUACIJSA-N 2 2 313.445 1.982 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000970222465 720667520 /nfs/dbraw/zinc/66/75/20/720667520.db2.gz GMCJWKVITAPQRE-HNNXBMFYSA-N 2 2 322.412 1.946 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970440948 720762164 /nfs/dbraw/zinc/76/21/64/720762164.db2.gz XVCCEGGJJIUEGC-BPLDGKMQSA-N 2 2 302.422 1.536 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(=C)Cl)C2)CC1 ZINC000970922695 720989533 /nfs/dbraw/zinc/98/95/33/720989533.db2.gz AHHPKFVTBCQYTP-AWEZNQCLSA-N 2 2 323.868 1.521 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905753 732839591 /nfs/dbraw/zinc/83/95/91/732839591.db2.gz MCXKEHNCOJHQDN-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039307520 733440451 /nfs/dbraw/zinc/44/04/51/733440451.db2.gz LGJQAMNKDYCEKK-GOOCMWNKSA-N 2 2 302.422 1.650 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121255613 782426944 /nfs/dbraw/zinc/42/69/44/782426944.db2.gz REJAIUVKTMFMRQ-BSGOTLCWSA-N 2 2 312.417 1.554 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121255613 782426952 /nfs/dbraw/zinc/42/69/52/782426952.db2.gz REJAIUVKTMFMRQ-BSGOTLCWSA-N 2 2 312.417 1.554 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022591245 734626228 /nfs/dbraw/zinc/62/62/28/734626228.db2.gz SUIUVCPDAJGCKY-HLLBOEOZSA-N 2 2 321.465 1.443 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001022591245 734626230 /nfs/dbraw/zinc/62/62/30/734626230.db2.gz SUIUVCPDAJGCKY-HLLBOEOZSA-N 2 2 321.465 1.443 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447647 735236149 /nfs/dbraw/zinc/23/61/49/735236149.db2.gz SKNVFEANLZJIFP-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447647 735236153 /nfs/dbraw/zinc/23/61/53/735236153.db2.gz SKNVFEANLZJIFP-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC#CC ZINC001024486585 735864248 /nfs/dbraw/zinc/86/42/48/735864248.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#CC ZINC001024486585 735864254 /nfs/dbraw/zinc/86/42/54/735864254.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#CC ZINC001024486585 735864256 /nfs/dbraw/zinc/86/42/56/735864256.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC#CC ZINC001024486585 735864261 /nfs/dbraw/zinc/86/42/61/735864261.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024515042 735890426 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20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038368384 737477483 /nfs/dbraw/zinc/47/74/83/737477483.db2.gz PRPKLLGFVIWQMT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038368384 737477485 /nfs/dbraw/zinc/47/74/85/737477485.db2.gz PRPKLLGFVIWQMT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038368384 737477487 /nfs/dbraw/zinc/47/74/87/737477487.db2.gz PRPKLLGFVIWQMT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035476870 751532043 /nfs/dbraw/zinc/53/20/43/751532043.db2.gz BVQNVBGOPDUHDK-IRXDYDNUSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001035476870 751532047 /nfs/dbraw/zinc/53/20/47/751532047.db2.gz BVQNVBGOPDUHDK-IRXDYDNUSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035476870 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PIACRDCGSLLSSE-HZSPNIEDSA-N 2 2 300.406 1.406 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940062 770316595 /nfs/dbraw/zinc/31/65/95/770316595.db2.gz VLBONANGHOCDLF-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940062 770316608 /nfs/dbraw/zinc/31/66/08/770316608.db2.gz VLBONANGHOCDLF-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674315 771072541 /nfs/dbraw/zinc/07/25/41/771072541.db2.gz BYJJUJCCSUVIEG-HOTGVXAUSA-N 2 2 315.417 1.653 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674315 771072548 /nfs/dbraw/zinc/07/25/48/771072548.db2.gz BYJJUJCCSUVIEG-HOTGVXAUSA-N 2 2 315.417 1.653 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866834 771219189 /nfs/dbraw/zinc/21/91/89/771219189.db2.gz KRUOVGQEGXQPJA-JKSUJKDBSA-N 2 2 300.406 1.349 20 30 DDEDLP 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300.406 1.219 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099019605 774776487 /nfs/dbraw/zinc/77/64/87/774776487.db2.gz IIISQPIFLFYKRZ-IYOUNJFTSA-N 2 2 312.417 1.434 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099019605 774776492 /nfs/dbraw/zinc/77/64/92/774776492.db2.gz IIISQPIFLFYKRZ-IYOUNJFTSA-N 2 2 312.417 1.434 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001093543008 774816425 /nfs/dbraw/zinc/81/64/25/774816425.db2.gz GSJUSYSRLMNJTH-KRWDZBQOSA-N 2 2 323.481 1.450 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100461474 776188436 /nfs/dbraw/zinc/18/84/36/776188436.db2.gz ZAHWRQUFACHGPW-SHARSMKWSA-N 2 2 314.433 1.331 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100461474 776188444 /nfs/dbraw/zinc/18/84/44/776188444.db2.gz ZAHWRQUFACHGPW-SHARSMKWSA-N 2 2 314.433 1.331 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171604541 776366899 /nfs/dbraw/zinc/36/68/99/776366899.db2.gz IKGVEWVETPQSEQ-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177090095 778442970 /nfs/dbraw/zinc/44/29/70/778442970.db2.gz ZNWCDIXLYVXQMR-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177090095 778442972 /nfs/dbraw/zinc/44/29/72/778442972.db2.gz ZNWCDIXLYVXQMR-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774924 779039372 /nfs/dbraw/zinc/03/93/72/779039372.db2.gz YRZUBNWNDZQRBG-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774924 779039375 /nfs/dbraw/zinc/03/93/75/779039375.db2.gz YRZUBNWNDZQRBG-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779935 779040668 /nfs/dbraw/zinc/04/06/68/779040668.db2.gz SQRQDUJCPICLAM-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779935 779040676 /nfs/dbraw/zinc/04/06/76/779040676.db2.gz SQRQDUJCPICLAM-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777051 779474939 /nfs/dbraw/zinc/47/49/39/779474939.db2.gz OAVGFLSIPLSMAG-OAHLLOKOSA-N 2 2 304.438 1.878 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777051 779474943 /nfs/dbraw/zinc/47/49/43/779474943.db2.gz OAVGFLSIPLSMAG-OAHLLOKOSA-N 2 2 304.438 1.878 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938005 779570760 /nfs/dbraw/zinc/57/07/60/779570760.db2.gz HCJRONHAANEDGI-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938005 779570762 /nfs/dbraw/zinc/57/07/62/779570762.db2.gz HCJRONHAANEDGI-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001266913570 837049525 /nfs/dbraw/zinc/04/95/25/837049525.db2.gz RZNOMHSEICAXDZ-UHFFFAOYSA-N 2 2 310.401 1.988 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267557446 838301069 /nfs/dbraw/zinc/30/10/69/838301069.db2.gz FLOUGONYMFAHBV-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267557446 838301074 /nfs/dbraw/zinc/30/10/74/838301074.db2.gz FLOUGONYMFAHBV-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267749076 838841476 /nfs/dbraw/zinc/84/14/76/838841476.db2.gz DACGPQKUVSSTGO-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267749076 838841488 /nfs/dbraw/zinc/84/14/88/838841488.db2.gz DACGPQKUVSSTGO-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267910423 839179847 /nfs/dbraw/zinc/17/98/47/839179847.db2.gz IKIGTIIWIPCMAP-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001267941323 839230141 /nfs/dbraw/zinc/23/01/41/839230141.db2.gz VBXGFGDCBSQNSB-UHFFFAOYSA-N 2 2 312.417 1.945 20 30 DDEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268364760 840063260 /nfs/dbraw/zinc/06/32/60/840063260.db2.gz AMWAWGBHENXOAD-CJNGLKHVSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268364760 840063266 /nfs/dbraw/zinc/06/32/66/840063266.db2.gz AMWAWGBHENXOAD-CJNGLKHVSA-N 2 2 317.437 1.298 20 30 DDEDLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC)[NH+](CC)CC ZINC001268969872 841066028 /nfs/dbraw/zinc/06/60/28/841066028.db2.gz NNRJIAUAGOCGBX-YESZJQIVSA-N 2 2 321.465 1.042 20 30 DDEDLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC)[NH+](CC)CC ZINC001268969872 841066035 /nfs/dbraw/zinc/06/60/35/841066035.db2.gz NNRJIAUAGOCGBX-YESZJQIVSA-N 2 2 321.465 1.042 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269349125 841550986 /nfs/dbraw/zinc/55/09/86/841550986.db2.gz QLXJXCGQUOEWGC-OAHLLOKOSA-N 2 2 320.437 1.088 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269349125 841550989 /nfs/dbraw/zinc/55/09/89/841550989.db2.gz QLXJXCGQUOEWGC-OAHLLOKOSA-N 2 2 320.437 1.088 20 30 DDEDLP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCC)CC1 ZINC001270358523 842513757 /nfs/dbraw/zinc/51/37/57/842513757.db2.gz KDPIDYPVBJCCGI-UHFFFAOYSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001271449805 843612851 /nfs/dbraw/zinc/61/28/51/843612851.db2.gz RURRFMUSPJZJDB-ZBFHGGJFSA-N 2 2 302.422 1.203 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4[nH+]cccc4N)CC3)c12 ZINC001154783414 861450509 /nfs/dbraw/zinc/45/05/09/861450509.db2.gz UVVNWEQUEHSERD-UHFFFAOYSA-N 2 2 319.372 1.738 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271687774 843781328 /nfs/dbraw/zinc/78/13/28/843781328.db2.gz NJMNEHARJKZZTK-HZPDHXFCSA-N 2 2 320.437 1.302 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001271753720 843841072 /nfs/dbraw/zinc/84/10/72/843841072.db2.gz ZQSLIQZYIHUKKO-RDJZCZTQSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001272471095 846170630 /nfs/dbraw/zinc/17/06/30/846170630.db2.gz SLAXPIUETLNMDO-KGLIPLIRSA-N 2 2 316.405 1.369 20 30 DDEDLP COC(=O)[C@H]([NH3+])C1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001155159483 861786421 /nfs/dbraw/zinc/78/64/21/861786421.db2.gz LCPNIUIEWZKZFC-CQSZACIVSA-N 2 2 313.361 1.151 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207301 848113507 /nfs/dbraw/zinc/11/35/07/848113507.db2.gz PSSAJHWYKFYUQN-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207301 848113511 /nfs/dbraw/zinc/11/35/11/848113511.db2.gz PSSAJHWYKFYUQN-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC=C)C1 ZINC001034250265 848158254 /nfs/dbraw/zinc/15/82/54/848158254.db2.gz RLIORNWJSMQJGB-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC=C)C1 ZINC001034250265 848158259 /nfs/dbraw/zinc/15/82/59/848158259.db2.gz RLIORNWJSMQJGB-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC=C)C1 ZINC001034250265 848158264 /nfs/dbraw/zinc/15/82/64/848158264.db2.gz RLIORNWJSMQJGB-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC=C)C1 ZINC001034250265 848158268 /nfs/dbraw/zinc/15/82/68/848158268.db2.gz RLIORNWJSMQJGB-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278040 848237894 /nfs/dbraw/zinc/23/78/94/848237894.db2.gz GMKAIRPGMLOMKV-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278040 848237902 /nfs/dbraw/zinc/23/79/02/848237902.db2.gz GMKAIRPGMLOMKV-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364177 848419483 /nfs/dbraw/zinc/41/94/83/848419483.db2.gz IRQBJEKBJBMHGG-MRXNPFEDSA-N 2 2 317.433 1.949 20 30 DDEDLP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327226172 861978182 /nfs/dbraw/zinc/97/81/82/861978182.db2.gz XICMSRACOBYONJ-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327226172 861978187 /nfs/dbraw/zinc/97/81/87/861978187.db2.gz XICMSRACOBYONJ-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273487099 851017860 /nfs/dbraw/zinc/01/78/60/851017860.db2.gz CXRYYIKJQOIAJB-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273487099 851017868 /nfs/dbraw/zinc/01/78/68/851017868.db2.gz CXRYYIKJQOIAJB-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001327596424 862306967 /nfs/dbraw/zinc/30/69/67/862306967.db2.gz UITIEMAKHZPDJD-NVXWUHKLSA-N 2 2 320.437 1.353 20 30 DDEDLP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001328467129 862991198 /nfs/dbraw/zinc/99/11/98/862991198.db2.gz AOBWCJUREWDMIO-QGZVFWFLSA-N 2 2 310.401 1.785 20 30 DDEDLP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001328467129 862991207 /nfs/dbraw/zinc/99/12/07/862991207.db2.gz AOBWCJUREWDMIO-QGZVFWFLSA-N 2 2 310.401 1.785 20 30 DDEDLP C=CCOCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122291051 858740020 /nfs/dbraw/zinc/74/00/20/858740020.db2.gz UFCPJWPEQXFLRI-UHFFFAOYSA-N 2 2 318.421 1.103 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857249 860167317 /nfs/dbraw/zinc/16/73/17/860167317.db2.gz QHSRGXUYSMPSRV-ZIAGYGMSSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001276996490 881531237 /nfs/dbraw/zinc/53/12/37/881531237.db2.gz XTBNIEFRCLJINB-BZUAXINKSA-N 2 2 302.422 1.588 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082923 864392867 /nfs/dbraw/zinc/39/28/67/864392867.db2.gz ATSLXNDJEPIEJQ-TZMCWYRMSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082923 864392878 /nfs/dbraw/zinc/39/28/78/864392878.db2.gz ATSLXNDJEPIEJQ-TZMCWYRMSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082923 864392889 /nfs/dbraw/zinc/39/28/89/864392889.db2.gz ATSLXNDJEPIEJQ-TZMCWYRMSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082923 864392901 /nfs/dbraw/zinc/39/29/01/864392901.db2.gz ATSLXNDJEPIEJQ-TZMCWYRMSA-N 2 2 302.422 1.283 20 30 DDEDLP COc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(F)cc1C#N ZINC001158269282 864529648 /nfs/dbraw/zinc/52/96/48/864529648.db2.gz PSJFPKZOCCFGJG-LBPRGKRZSA-N 2 2 319.384 1.103 20 30 DDEDLP COc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(F)cc1C#N ZINC001158269282 864529654 /nfs/dbraw/zinc/52/96/54/864529654.db2.gz PSJFPKZOCCFGJG-LBPRGKRZSA-N 2 2 319.384 1.103 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001331503130 865121814 /nfs/dbraw/zinc/12/18/14/865121814.db2.gz HTAKTTKNIMJGCL-AWEZNQCLSA-N 2 2 314.389 1.034 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332827158 866171393 /nfs/dbraw/zinc/17/13/93/866171393.db2.gz SUMKUSLHMVTORO-GOEBONIOSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001319829119 866319905 /nfs/dbraw/zinc/31/99/05/866319905.db2.gz YVMZBQAJAVVIFN-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001319851740 866342930 /nfs/dbraw/zinc/34/29/30/866342930.db2.gz CKZACECUVZQVRR-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001324483508 867303388 /nfs/dbraw/zinc/30/33/88/867303388.db2.gz QXUCVQJFLHFDFU-INIZCTEOSA-N 2 2 316.449 1.641 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162628961 867690381 /nfs/dbraw/zinc/69/03/81/867690381.db2.gz NDZMJTZPVRULNC-UHFFFAOYSA-N 2 2 320.437 1.304 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325464554 868054857 /nfs/dbraw/zinc/05/48/57/868054857.db2.gz AUVRSJZNWORGKM-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001325629724 868196539 /nfs/dbraw/zinc/19/65/39/868196539.db2.gz NHSSGLXMCGRGKW-RBVVOMGSSA-N 2 2 302.422 1.888 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001325629724 868196544 /nfs/dbraw/zinc/19/65/44/868196544.db2.gz NHSSGLXMCGRGKW-RBVVOMGSSA-N 2 2 302.422 1.888 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139080 870346045 /nfs/dbraw/zinc/34/60/45/870346045.db2.gz LULDCFRRCJROQA-IRXDYDNUSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139080 870346070 /nfs/dbraw/zinc/34/60/70/870346070.db2.gz LULDCFRRCJROQA-IRXDYDNUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203668061 870702778 /nfs/dbraw/zinc/70/27/78/870702778.db2.gz HOBSRVCIVAUSKH-HOTGVXAUSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676815 870706393 /nfs/dbraw/zinc/70/63/93/870706393.db2.gz HMZVBJMGQNGRCH-CVEARBPZSA-N 2 2 314.433 1.393 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676505 870706441 /nfs/dbraw/zinc/70/64/41/870706441.db2.gz DZKYBWZCHVFJBR-LSDHHAIUSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316682526 871042221 /nfs/dbraw/zinc/04/22/21/871042221.db2.gz YVWJJMSBGNSFQY-DOTOQJQBSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316682526 871042237 /nfs/dbraw/zinc/04/22/37/871042237.db2.gz YVWJJMSBGNSFQY-DOTOQJQBSA-N 2 2 316.449 1.972 20 30 DDEDLP C=CCCC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001317552820 871057101 /nfs/dbraw/zinc/05/71/01/871057101.db2.gz CWXDRZDDRMFQKP-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001317552820 871057123 /nfs/dbraw/zinc/05/71/23/871057123.db2.gz CWXDRZDDRMFQKP-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001204372816 871082787 /nfs/dbraw/zinc/08/27/87/871082787.db2.gz IXODBERLKJNBBM-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204372816 871082793 /nfs/dbraw/zinc/08/27/93/871082793.db2.gz IXODBERLKJNBBM-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001340628317 871243546 /nfs/dbraw/zinc/24/35/46/871243546.db2.gz XICVZPRUEHTAGG-OAHLLOKOSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001340628317 871243557 /nfs/dbraw/zinc/24/35/57/871243557.db2.gz XICVZPRUEHTAGG-OAHLLOKOSA-N 2 2 318.469 1.761 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001317674459 871381133 /nfs/dbraw/zinc/38/11/33/871381133.db2.gz IXZDKDPJFNNNNQ-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCCC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001318129359 871769564 /nfs/dbraw/zinc/76/95/64/871769564.db2.gz OFCYPWRDHQEQQM-UHFFFAOYSA-N 2 2 306.410 1.364 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453688 874157695 /nfs/dbraw/zinc/15/76/95/874157695.db2.gz NBFLOFPYSQCONP-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678501 874374105 /nfs/dbraw/zinc/37/41/05/874374105.db2.gz IERXEMABDPUCMK-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698800 875063425 /nfs/dbraw/zinc/06/34/25/875063425.db2.gz DVHQRPAVCXGKRE-RBSFLKMASA-N 2 2 300.406 1.128 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293470 875746163 /nfs/dbraw/zinc/74/61/63/875746163.db2.gz IXQPAPOGEXUUSM-IAGOWNOFSA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001378915891 875905670 /nfs/dbraw/zinc/90/56/70/875905670.db2.gz CKSGTPNMYKUXCS-KBPBESRZSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499842 875955671 /nfs/dbraw/zinc/95/56/71/875955671.db2.gz CWFXMNSSOHHENI-RBSFLKMASA-N 2 2 306.410 1.226 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499842 875955673 /nfs/dbraw/zinc/95/56/73/875955673.db2.gz CWFXMNSSOHHENI-RBSFLKMASA-N 2 2 306.410 1.226 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277663321 886362834 /nfs/dbraw/zinc/36/28/34/886362834.db2.gz VMIWSLHRPOWQPL-DOTOQJQBSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](C(C)C)CC1 ZINC001278170126 889959303 /nfs/dbraw/zinc/95/93/03/889959303.db2.gz YVTPOVIJIFCDRS-UHFFFAOYSA-N 2 2 316.449 1.687 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278516918 894012516 /nfs/dbraw/zinc/01/25/16/894012516.db2.gz XUDAQQUQPQDOEM-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278516918 894012536 /nfs/dbraw/zinc/01/25/36/894012536.db2.gz XUDAQQUQPQDOEM-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001367686753 897463415 /nfs/dbraw/zinc/46/34/15/897463415.db2.gz SAZOCYOVEWHBSZ-CYBMUJFWSA-N 2 2 311.389 1.358 20 30 DDEDLP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264107125 900938887 /nfs/dbraw/zinc/93/88/87/900938887.db2.gz HGXHFZUQBRVYIO-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264107125 900938900 /nfs/dbraw/zinc/93/89/00/900938900.db2.gz HGXHFZUQBRVYIO-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001281941441 905337583 /nfs/dbraw/zinc/33/75/83/905337583.db2.gz HYMSZMLMBITJAH-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001281941441 905337601 /nfs/dbraw/zinc/33/76/01/905337601.db2.gz HYMSZMLMBITJAH-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000564411673 303996865 /nfs/dbraw/zinc/99/68/65/303996865.db2.gz WOZMAKASFMZYMQ-CABCVRRESA-N 2 2 320.462 1.872 20 30 DDEDLP C[NH+]1CCC(CNc2nccnc2C#N)([NH+]2CCCCC2)CC1 ZINC000078457539 353517257 /nfs/dbraw/zinc/51/72/57/353517257.db2.gz JPKKSDHLTOXKBB-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000081646431 353686705 /nfs/dbraw/zinc/68/67/05/353686705.db2.gz GTIGQPQSAAZGKE-LJQANCHMSA-N 2 2 313.445 1.751 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000081647878 353686742 /nfs/dbraw/zinc/68/67/42/353686742.db2.gz HVEKXQQACKUVAC-UHFFFAOYSA-N 2 2 311.429 1.428 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000081647878 353686745 /nfs/dbraw/zinc/68/67/45/353686745.db2.gz HVEKXQQACKUVAC-UHFFFAOYSA-N 2 2 311.429 1.428 20 30 DDEDLP CC[NH+]1CCC([N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000372372165 354624157 /nfs/dbraw/zinc/62/41/57/354624157.db2.gz CCPOYLQIRNXCBG-SFHVURJKSA-N 2 2 320.481 1.990 20 30 DDEDLP CC[NH+]1CCC([N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000372372165 354624161 /nfs/dbraw/zinc/62/41/61/354624161.db2.gz CCPOYLQIRNXCBG-SFHVURJKSA-N 2 2 320.481 1.990 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CCF)CC2)cc1 ZINC000593684982 355966270 /nfs/dbraw/zinc/96/62/70/355966270.db2.gz CRHQSHZFACTSQZ-QGZVFWFLSA-N 2 2 305.397 1.833 20 30 DDEDLP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594514429 356241543 /nfs/dbraw/zinc/24/15/43/356241543.db2.gz XRMQNCZXKXUJRF-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP Cc1cc(N(C)CC[NH+](C)C)c(C#N)c(N(C)CC[NH+](C)C)[nH+]1 ZINC000596152732 356793842 /nfs/dbraw/zinc/79/38/42/356793842.db2.gz OFMWPPJSSTVPSN-UHFFFAOYSA-N 3 2 318.469 1.257 20 30 DDEDLP Cc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)c(C#N)c[nH+]1 ZINC000596253929 356833648 /nfs/dbraw/zinc/83/36/48/356833648.db2.gz HOOLUWSXNYSJJM-UHFFFAOYSA-N 2 2 302.422 1.839 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000596659267 356944613 /nfs/dbraw/zinc/94/46/13/356944613.db2.gz GLCRRZWJKOWFFN-UHFFFAOYSA-N 2 2 317.437 1.758 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000596659267 356944617 /nfs/dbraw/zinc/94/46/17/356944617.db2.gz GLCRRZWJKOWFFN-UHFFFAOYSA-N 2 2 317.437 1.758 20 30 DDEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC000329601536 223000246 /nfs/dbraw/zinc/00/02/46/223000246.db2.gz XPUILQVEMHLDBL-CQSZACIVSA-N 2 2 306.410 1.433 20 30 DDEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@H+]1CCCOCC1)C2 ZINC000329601536 223000250 /nfs/dbraw/zinc/00/02/50/223000250.db2.gz XPUILQVEMHLDBL-CQSZACIVSA-N 2 2 306.410 1.433 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600749747 358306805 /nfs/dbraw/zinc/30/68/05/358306805.db2.gz RJIFDKWSGWOSLC-CVEARBPZSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600749747 358306809 /nfs/dbraw/zinc/30/68/09/358306809.db2.gz RJIFDKWSGWOSLC-CVEARBPZSA-N 2 2 317.433 1.760 20 30 DDEDLP N#Cc1c(F)cccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000602003088 358772922 /nfs/dbraw/zinc/77/29/22/358772922.db2.gz QZQNCXJHTBFOFJ-AWEZNQCLSA-N 2 2 318.396 1.374 20 30 DDEDLP N#Cc1c(F)cccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000602003088 358772927 /nfs/dbraw/zinc/77/29/27/358772927.db2.gz QZQNCXJHTBFOFJ-AWEZNQCLSA-N 2 2 318.396 1.374 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000602557752 359044578 /nfs/dbraw/zinc/04/45/78/359044578.db2.gz HPODTBUCJFODDR-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602557752 359044581 /nfs/dbraw/zinc/04/45/81/359044581.db2.gz HPODTBUCJFODDR-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C#N ZINC000602876194 359259671 /nfs/dbraw/zinc/25/96/71/359259671.db2.gz FXQMUDMAQCYFDZ-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C#N ZINC000602876194 359259676 /nfs/dbraw/zinc/25/96/76/359259676.db2.gz FXQMUDMAQCYFDZ-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000602891420 359274097 /nfs/dbraw/zinc/27/40/97/359274097.db2.gz MUPFHBXHLKFVGV-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000602891420 359274100 /nfs/dbraw/zinc/27/41/00/359274100.db2.gz MUPFHBXHLKFVGV-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611211144 360661148 /nfs/dbraw/zinc/66/11/48/360661148.db2.gz GLNVZJNRBGUBBN-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611211144 360661151 /nfs/dbraw/zinc/66/11/51/360661151.db2.gz GLNVZJNRBGUBBN-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CC2)CC1 ZINC000330189996 223084973 /nfs/dbraw/zinc/08/49/73/223084973.db2.gz VQZPNCZNJBTVHD-CYBMUJFWSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(NC1CC[NH+](C2CC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330189996 223084977 /nfs/dbraw/zinc/08/49/77/223084977.db2.gz VQZPNCZNJBTVHD-CYBMUJFWSA-N 2 2 303.410 1.328 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000266461125 205363447 /nfs/dbraw/zinc/36/34/47/205363447.db2.gz YTLKFJYKJNGURX-HNNXBMFYSA-N 2 2 317.437 1.500 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000266461125 205363450 /nfs/dbraw/zinc/36/34/50/205363450.db2.gz YTLKFJYKJNGURX-HNNXBMFYSA-N 2 2 317.437 1.500 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158149211 197247666 /nfs/dbraw/zinc/24/76/66/197247666.db2.gz OMWIKVLSPUZGGR-HNNXBMFYSA-N 2 2 303.406 1.829 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158149211 197247668 /nfs/dbraw/zinc/24/76/68/197247668.db2.gz OMWIKVLSPUZGGR-HNNXBMFYSA-N 2 2 303.406 1.829 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001120496568 781985965 /nfs/dbraw/zinc/98/59/65/781985965.db2.gz DYWIBEJBCALUDB-IAGOWNOFSA-N 2 2 321.852 1.212 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000123770355 407338029 /nfs/dbraw/zinc/33/80/29/407338029.db2.gz MPJHKFYGZBAHHQ-UHFFFAOYSA-N 2 2 323.400 1.859 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170912929 407555391 /nfs/dbraw/zinc/55/53/91/407555391.db2.gz XHBPNDMUNVBQGJ-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000170912929 407555397 /nfs/dbraw/zinc/55/53/97/407555397.db2.gz XHBPNDMUNVBQGJ-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152381215 407625933 /nfs/dbraw/zinc/62/59/33/407625933.db2.gz YLBYRWJTXKYVIC-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152381215 407625938 /nfs/dbraw/zinc/62/59/38/407625938.db2.gz YLBYRWJTXKYVIC-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152381215 407625941 /nfs/dbraw/zinc/62/59/41/407625941.db2.gz YLBYRWJTXKYVIC-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152381215 407625945 /nfs/dbraw/zinc/62/59/45/407625945.db2.gz YLBYRWJTXKYVIC-HNNXBMFYSA-N 2 2 300.406 1.770 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245432549 407977391 /nfs/dbraw/zinc/97/73/91/407977391.db2.gz OPKNTTSLZNRVBR-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245432549 407977395 /nfs/dbraw/zinc/97/73/95/407977395.db2.gz OPKNTTSLZNRVBR-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245432549 407977401 /nfs/dbraw/zinc/97/74/01/407977401.db2.gz OPKNTTSLZNRVBR-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245432549 407977405 /nfs/dbraw/zinc/97/74/05/407977405.db2.gz OPKNTTSLZNRVBR-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP NC(=[NH+]O[C@H]1CCNC1=O)c1ccccc1C[NH+]1CCCCC1 ZINC000269310564 408261782 /nfs/dbraw/zinc/26/17/82/408261782.db2.gz VLODQOQVORPJKL-HNNXBMFYSA-N 2 2 316.405 1.198 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269172 409893559 /nfs/dbraw/zinc/89/35/59/409893559.db2.gz DHTXJACJWAPGLQ-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269172 409893566 /nfs/dbraw/zinc/89/35/66/409893566.db2.gz DHTXJACJWAPGLQ-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000329810951 410447457 /nfs/dbraw/zinc/44/74/57/410447457.db2.gz RBLYVAFZVMEIST-KQTLUZQSSA-N 2 2 324.469 1.082 20 30 DDEDLP C[C@@H](NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000329810951 410447463 /nfs/dbraw/zinc/44/74/63/410447463.db2.gz RBLYVAFZVMEIST-KQTLUZQSSA-N 2 2 324.469 1.082 20 30 DDEDLP C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299276048 410585832 /nfs/dbraw/zinc/58/58/32/410585832.db2.gz MQQPRLBKKZVSPZ-PKOBYXMFSA-N 2 2 323.440 1.334 20 30 DDEDLP C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299276048 410585837 /nfs/dbraw/zinc/58/58/37/410585837.db2.gz MQQPRLBKKZVSPZ-PKOBYXMFSA-N 2 2 323.440 1.334 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000330280635 410612292 /nfs/dbraw/zinc/61/22/92/410612292.db2.gz SSNKZOYIRAEFJX-CABCVRRESA-N 2 2 317.437 1.672 20 30 DDEDLP C=C(Br)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367117017 418562306 /nfs/dbraw/zinc/56/23/06/418562306.db2.gz KCHBFSKPJKLEAA-CQSZACIVSA-N 2 2 316.287 1.854 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246729683 222224430 /nfs/dbraw/zinc/22/44/30/222224430.db2.gz MBMXQEWZCLEGQP-IRXDYDNUSA-N 2 2 321.465 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246729683 222224432 /nfs/dbraw/zinc/22/44/32/222224432.db2.gz MBMXQEWZCLEGQP-IRXDYDNUSA-N 2 2 321.465 1.230 20 30 DDEDLP Cc1cnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000328600864 418605279 /nfs/dbraw/zinc/60/52/79/418605279.db2.gz DKWMGJZBWGSEGY-UHFFFAOYSA-N 2 2 321.425 1.868 20 30 DDEDLP CN(C(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000262221168 222273464 /nfs/dbraw/zinc/27/34/64/222273464.db2.gz KJCWDZWGTCPIQJ-UHFFFAOYSA-N 3 2 307.486 1.346 20 30 DDEDLP CCNC(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)=[NH+]CC ZINC000263961013 222309841 /nfs/dbraw/zinc/30/98/41/222309841.db2.gz KAJNUMYFISUKQO-MRXNPFEDSA-N 2 2 304.438 1.462 20 30 DDEDLP CCNC(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)=[NH+]CC ZINC000263961013 222309842 /nfs/dbraw/zinc/30/98/42/222309842.db2.gz KAJNUMYFISUKQO-MRXNPFEDSA-N 2 2 304.438 1.462 20 30 DDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264118727 222321215 /nfs/dbraw/zinc/32/12/15/222321215.db2.gz UHVNOQSBSITBOE-UHFFFAOYSA-N 2 2 310.398 1.009 20 30 DDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264118727 222321220 /nfs/dbraw/zinc/32/12/20/222321220.db2.gz UHVNOQSBSITBOE-UHFFFAOYSA-N 2 2 310.398 1.009 20 30 DDEDLP Cc1nnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000369270304 418730542 /nfs/dbraw/zinc/73/05/42/418730542.db2.gz ZOSOVBZGZAITJP-CQSZACIVSA-N 2 2 314.437 1.546 20 30 DDEDLP Cc1nnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000369270304 418730544 /nfs/dbraw/zinc/73/05/44/418730544.db2.gz ZOSOVBZGZAITJP-CQSZACIVSA-N 2 2 314.437 1.546 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368964324 418726924 /nfs/dbraw/zinc/72/69/24/418726924.db2.gz FRKLYFZBYWMPTJ-SWLSCSKDSA-N 2 2 322.478 1.554 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368964324 418726925 /nfs/dbraw/zinc/72/69/25/418726925.db2.gz FRKLYFZBYWMPTJ-SWLSCSKDSA-N 2 2 322.478 1.554 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371621586 418805712 /nfs/dbraw/zinc/80/57/12/418805712.db2.gz OYWCEVSETMAUGP-INIZCTEOSA-N 2 2 322.497 1.169 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102801 423336520 /nfs/dbraw/zinc/33/65/20/423336520.db2.gz RYAKLBRBPRLKEL-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102801 423336525 /nfs/dbraw/zinc/33/65/25/423336525.db2.gz RYAKLBRBPRLKEL-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762243 423715005 /nfs/dbraw/zinc/71/50/05/423715005.db2.gz LDTOMLKIJZGYJD-WBVHZDCISA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762243 423715009 /nfs/dbraw/zinc/71/50/09/423715009.db2.gz LDTOMLKIJZGYJD-WBVHZDCISA-N 2 2 311.470 1.188 20 30 DDEDLP C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660712884 424754434 /nfs/dbraw/zinc/75/44/34/424754434.db2.gz NZBOQYICIFGOBE-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CCOCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660712884 424754436 /nfs/dbraw/zinc/75/44/36/424754436.db2.gz NZBOQYICIFGOBE-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000517588980 268126710 /nfs/dbraw/zinc/12/67/10/268126710.db2.gz WTAYMMRKXMMKAB-MRXNPFEDSA-N 2 2 302.422 1.583 20 30 DDEDLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000517588980 268126714 /nfs/dbraw/zinc/12/67/14/268126714.db2.gz WTAYMMRKXMMKAB-MRXNPFEDSA-N 2 2 302.422 1.583 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143075 277160685 /nfs/dbraw/zinc/16/06/85/277160685.db2.gz MSKJNMWKRBSYJW-PKOBYXMFSA-N 2 2 324.428 1.691 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143075 277160686 /nfs/dbraw/zinc/16/06/86/277160686.db2.gz MSKJNMWKRBSYJW-PKOBYXMFSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143075 277160687 /nfs/dbraw/zinc/16/06/87/277160687.db2.gz MSKJNMWKRBSYJW-PKOBYXMFSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143075 277160689 /nfs/dbraw/zinc/16/06/89/277160689.db2.gz MSKJNMWKRBSYJW-PKOBYXMFSA-N 2 2 324.428 1.691 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348320559 526635918 /nfs/dbraw/zinc/63/59/18/526635918.db2.gz NQFKDPIOQFQWBH-CGTJXYLNSA-N 2 2 313.445 1.741 20 30 DDEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000491209881 526882577 /nfs/dbraw/zinc/88/25/77/526882577.db2.gz NBUVALFNPWPYIF-UHFFFAOYSA-N 2 2 313.445 1.722 20 30 DDEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000491209881 526882579 /nfs/dbraw/zinc/88/25/79/526882579.db2.gz NBUVALFNPWPYIF-UHFFFAOYSA-N 2 2 313.445 1.722 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000490778417 526947316 /nfs/dbraw/zinc/94/73/16/526947316.db2.gz FPHPMSKNMYKQCT-MRXNPFEDSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000490778417 526947321 /nfs/dbraw/zinc/94/73/21/526947321.db2.gz FPHPMSKNMYKQCT-MRXNPFEDSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000491725635 526985238 /nfs/dbraw/zinc/98/52/38/526985238.db2.gz IERBQVKSYLUFJA-YJBOKZPZSA-N 2 2 301.434 1.715 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491674584 527212748 /nfs/dbraw/zinc/21/27/48/527212748.db2.gz KPPKYJSJYUGAQP-CQSZACIVSA-N 2 2 305.447 1.346 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491674584 527212753 /nfs/dbraw/zinc/21/27/53/527212753.db2.gz KPPKYJSJYUGAQP-CQSZACIVSA-N 2 2 305.447 1.346 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000330877458 527828886 /nfs/dbraw/zinc/82/88/86/527828886.db2.gz WQUKNEHIUKNMJY-KGLIPLIRSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000330877458 527828892 /nfs/dbraw/zinc/82/88/92/527828892.db2.gz WQUKNEHIUKNMJY-KGLIPLIRSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000330877458 527828897 /nfs/dbraw/zinc/82/88/97/527828897.db2.gz WQUKNEHIUKNMJY-KGLIPLIRSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000330877458 527828900 /nfs/dbraw/zinc/82/89/00/527828900.db2.gz WQUKNEHIUKNMJY-KGLIPLIRSA-N 2 2 312.458 1.477 20 30 DDEDLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329807149 528022229 /nfs/dbraw/zinc/02/22/29/528022229.db2.gz LPCHSADIGKNYEB-CQSZACIVSA-N 2 2 305.426 1.591 20 30 DDEDLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329807149 528022232 /nfs/dbraw/zinc/02/22/32/528022232.db2.gz LPCHSADIGKNYEB-CQSZACIVSA-N 2 2 305.426 1.591 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675410 695709580 /nfs/dbraw/zinc/70/95/80/695709580.db2.gz SWCIQEYMELTRTA-GJZGRUSLSA-N 2 2 314.433 1.610 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675410 695709582 /nfs/dbraw/zinc/70/95/82/695709582.db2.gz SWCIQEYMELTRTA-GJZGRUSLSA-N 2 2 314.433 1.610 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974736820 695722374 /nfs/dbraw/zinc/72/23/74/695722374.db2.gz GNYSUFMBYQDBEL-AWEZNQCLSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974736820 695722375 /nfs/dbraw/zinc/72/23/75/695722375.db2.gz GNYSUFMBYQDBEL-AWEZNQCLSA-N 2 2 302.422 1.386 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740787 695723361 /nfs/dbraw/zinc/72/33/61/695723361.db2.gz HRSUEFQEQJHQTJ-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740787 695723362 /nfs/dbraw/zinc/72/33/62/695723362.db2.gz HRSUEFQEQJHQTJ-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000798075829 700040571 /nfs/dbraw/zinc/04/05/71/700040571.db2.gz YDFKTMZHVCXDJM-MSOLQXFVSA-N 2 2 317.477 1.997 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798075829 700040574 /nfs/dbraw/zinc/04/05/74/700040574.db2.gz YDFKTMZHVCXDJM-MSOLQXFVSA-N 2 2 317.477 1.997 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000798075829 700040577 /nfs/dbraw/zinc/04/05/77/700040577.db2.gz YDFKTMZHVCXDJM-MSOLQXFVSA-N 2 2 317.477 1.997 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000798075829 700040579 /nfs/dbraw/zinc/04/05/79/700040579.db2.gz YDFKTMZHVCXDJM-MSOLQXFVSA-N 2 2 317.477 1.997 20 30 DDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@@H+]1CCOCC1(C)C ZINC000170914969 697352046 /nfs/dbraw/zinc/35/20/46/697352046.db2.gz RSPQZBKDDGOFPX-UHFFFAOYSA-N 2 2 318.465 1.805 20 30 DDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+]1CCOCC1(C)C ZINC000170914969 697352048 /nfs/dbraw/zinc/35/20/48/697352048.db2.gz RSPQZBKDDGOFPX-UHFFFAOYSA-N 2 2 318.465 1.805 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000749223509 700152209 /nfs/dbraw/zinc/15/22/09/700152209.db2.gz ZOFPOZQEFQXJBS-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000749223509 700152210 /nfs/dbraw/zinc/15/22/10/700152210.db2.gz ZOFPOZQEFQXJBS-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000749223507 700152233 /nfs/dbraw/zinc/15/22/33/700152233.db2.gz ZOFPOZQEFQXJBS-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000749223507 700152234 /nfs/dbraw/zinc/15/22/34/700152234.db2.gz ZOFPOZQEFQXJBS-KRWDZBQOSA-N 2 2 303.450 1.561 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000984859431 697437291 /nfs/dbraw/zinc/43/72/91/697437291.db2.gz UYVYKWSFTKHYHI-SAZUREKKSA-N 2 2 323.400 1.508 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985510632 697522411 /nfs/dbraw/zinc/52/24/11/697522411.db2.gz WNDPCOSJWRSEAH-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985510632 697522413 /nfs/dbraw/zinc/52/24/13/697522413.db2.gz WNDPCOSJWRSEAH-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccco1 ZINC000195522732 697746112 /nfs/dbraw/zinc/74/61/12/697746112.db2.gz WLSZPLKFZZQFGU-UONOGXRCSA-N 2 2 308.426 1.746 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239584 698563754 /nfs/dbraw/zinc/56/37/54/698563754.db2.gz XYOSEGYKRRSADA-GDBMZVCRSA-N 2 2 308.385 1.698 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000730067563 699498688 /nfs/dbraw/zinc/49/86/88/699498688.db2.gz STGRLQIERKZGJQ-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000730067563 699498690 /nfs/dbraw/zinc/49/86/90/699498690.db2.gz STGRLQIERKZGJQ-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000763233742 700930525 /nfs/dbraw/zinc/93/05/25/700930525.db2.gz NRCQSSKNVBHJOZ-RKVPGOIHSA-N 2 2 317.433 1.681 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000763953615 700954948 /nfs/dbraw/zinc/95/49/48/700954948.db2.gz JKZKCYLILYANSJ-UHFFFAOYSA-N 2 2 303.406 1.575 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000843087954 702816642 /nfs/dbraw/zinc/81/66/42/702816642.db2.gz LSPMKMZEXVVZAB-IRXDYDNUSA-N 2 2 303.406 1.028 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843087954 702816646 /nfs/dbraw/zinc/81/66/46/702816646.db2.gz LSPMKMZEXVVZAB-IRXDYDNUSA-N 2 2 303.406 1.028 20 30 DDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000866659939 706755725 /nfs/dbraw/zinc/75/57/25/706755725.db2.gz YJPOWLWBUQWKEG-BLLLJJGKSA-N 2 2 301.390 1.832 20 30 DDEDLP N#CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852709420 704103854 /nfs/dbraw/zinc/10/38/54/704103854.db2.gz UXHHUACLULZWAC-KRWDZBQOSA-N 2 2 315.417 1.620 20 30 DDEDLP N#CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852709420 704103855 /nfs/dbraw/zinc/10/38/55/704103855.db2.gz UXHHUACLULZWAC-KRWDZBQOSA-N 2 2 315.417 1.620 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000852857238 704150036 /nfs/dbraw/zinc/15/00/36/704150036.db2.gz MZDDGGJAIIQDFT-UHFFFAOYSA-N 2 2 322.412 1.551 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000927471766 712990984 /nfs/dbraw/zinc/99/09/84/712990984.db2.gz FEPMHKUEDIAHAD-UHFFFAOYSA-N 2 2 315.421 1.199 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1 ZINC000903825357 711292661 /nfs/dbraw/zinc/29/26/61/711292661.db2.gz ZNNPVOJAFNZSHN-DLBZAZTESA-N 2 2 313.401 1.310 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1 ZINC000903825357 711292665 /nfs/dbraw/zinc/29/26/65/711292665.db2.gz ZNNPVOJAFNZSHN-DLBZAZTESA-N 2 2 313.401 1.310 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685696 711577057 /nfs/dbraw/zinc/57/70/57/711577057.db2.gz NFOPLXGONKWZPW-DLBZAZTESA-N 2 2 308.470 1.312 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000930505173 713852683 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WWTDLKNSKWIGPX-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040470227 751473778 /nfs/dbraw/zinc/47/37/78/751473778.db2.gz INJVYNBUVWOZGY-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040470227 751473782 /nfs/dbraw/zinc/47/37/82/751473782.db2.gz INJVYNBUVWOZGY-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640328 739832981 /nfs/dbraw/zinc/83/29/81/739832981.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640328 739832988 /nfs/dbraw/zinc/83/29/88/739832988.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640328 739832994 /nfs/dbraw/zinc/83/29/94/739832994.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP 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739995415 /nfs/dbraw/zinc/99/54/15/739995415.db2.gz KNKDJVZSJRXXRO-RDJZCZTQSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755306 739995419 /nfs/dbraw/zinc/99/54/19/739995419.db2.gz KNKDJVZSJRXXRO-RDJZCZTQSA-N 2 2 321.465 1.254 20 30 DDEDLP N#Cc1cc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)ccc1F ZINC001126436479 740111027 /nfs/dbraw/zinc/11/10/27/740111027.db2.gz BORUJDBTLFUNPJ-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114902119 751555994 /nfs/dbraw/zinc/55/59/94/751555994.db2.gz YBKYROPEXGQYRX-LJIGWXMPSA-N 2 2 302.422 1.847 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114902119 751555997 /nfs/dbraw/zinc/55/59/97/751555997.db2.gz YBKYROPEXGQYRX-LJIGWXMPSA-N 2 2 302.422 1.847 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001087731771 740725402 /nfs/dbraw/zinc/72/54/02/740725402.db2.gz 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ZINC001184575207 744063770 /nfs/dbraw/zinc/06/37/70/744063770.db2.gz AOZOMCSLSLROLY-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001184577006 744064435 /nfs/dbraw/zinc/06/44/35/744064435.db2.gz TXIAXRIGNVDKAJ-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001184577006 744064438 /nfs/dbraw/zinc/06/44/38/744064438.db2.gz TXIAXRIGNVDKAJ-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203607253 744157151 /nfs/dbraw/zinc/15/71/51/744157151.db2.gz VMNXRXOMCBQINV-LSDHHAIUSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185503206 744238571 /nfs/dbraw/zinc/23/85/71/744238571.db2.gz PSGZDUBTFAKDGY-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000992867845 745252596 /nfs/dbraw/zinc/25/25/96/745252596.db2.gz BEYAKBKHXHIEJZ-RRFJBIMHSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001032636455 751988944 /nfs/dbraw/zinc/98/89/44/751988944.db2.gz HSFDAONNDIBQOC-BYNSBNAKSA-N 2 2 300.406 1.385 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001032636455 751988946 /nfs/dbraw/zinc/98/89/46/751988946.db2.gz HSFDAONNDIBQOC-BYNSBNAKSA-N 2 2 300.406 1.385 20 30 DDEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191533991 745536773 /nfs/dbraw/zinc/53/67/73/745536773.db2.gz XMMDZLHXKUVXBJ-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191533991 745536775 /nfs/dbraw/zinc/53/67/75/745536775.db2.gz XMMDZLHXKUVXBJ-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191533991 745536780 /nfs/dbraw/zinc/53/67/80/745536780.db2.gz XMMDZLHXKUVXBJ-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191533991 745536785 /nfs/dbraw/zinc/53/67/85/745536785.db2.gz XMMDZLHXKUVXBJ-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292904 745746012 /nfs/dbraw/zinc/74/60/12/745746012.db2.gz DBIOLXPQNCBMHL-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292904 745746015 /nfs/dbraw/zinc/74/60/15/745746015.db2.gz DBIOLXPQNCBMHL-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577391 745829763 /nfs/dbraw/zinc/82/97/63/745829763.db2.gz GEKQZILCMMFZHB-JKSUJKDBSA-N 2 2 318.421 1.017 20 30 DDEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577391 745829771 /nfs/dbraw/zinc/82/97/71/745829771.db2.gz GEKQZILCMMFZHB-JKSUJKDBSA-N 2 2 318.421 1.017 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 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2 304.438 1.755 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001004206532 748126696 /nfs/dbraw/zinc/12/66/96/748126696.db2.gz CUGZEJWQJWDZOG-UHFFFAOYSA-N 2 2 323.868 1.665 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201982219 748647098 /nfs/dbraw/zinc/64/70/98/748647098.db2.gz FOAWCCKJGACDEJ-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211535 748942561 /nfs/dbraw/zinc/94/25/61/748942561.db2.gz JZIHIZUBTNULHT-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001202668691 749490891 /nfs/dbraw/zinc/49/08/91/749490891.db2.gz UOKFZQUCDKXXFJ-UHFFFAOYSA-N 2 2 322.412 1.585 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000996864002 750228684 /nfs/dbraw/zinc/22/86/84/750228684.db2.gz LQPSFSKGUGXSMX-KRWDZBQOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000996864002 750228689 /nfs/dbraw/zinc/22/86/89/750228689.db2.gz LQPSFSKGUGXSMX-KRWDZBQOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476761 762065922 /nfs/dbraw/zinc/06/59/22/762065922.db2.gz MNEAHEGKKQDILX-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476761 762065927 /nfs/dbraw/zinc/06/59/27/762065927.db2.gz MNEAHEGKKQDILX-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999537817 752980930 /nfs/dbraw/zinc/98/09/30/752980930.db2.gz UVIOSNXMRGKSRK-ZIAGYGMSSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999537817 752980941 /nfs/dbraw/zinc/98/09/41/752980941.db2.gz UVIOSNXMRGKSRK-ZIAGYGMSSA-N 2 2 300.406 1.037 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537640 752981229 /nfs/dbraw/zinc/98/12/29/752981229.db2.gz SRIVYEYSYLHRIF-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009076211 753061534 /nfs/dbraw/zinc/06/15/34/753061534.db2.gz XOYORBHFBAWFRD-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001009076211 753061537 /nfs/dbraw/zinc/06/15/37/753061537.db2.gz XOYORBHFBAWFRD-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014498787 755762007 /nfs/dbraw/zinc/76/20/07/755762007.db2.gz UZBYHVCUCADZEL-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014498787 755762010 /nfs/dbraw/zinc/76/20/10/755762010.db2.gz UZBYHVCUCADZEL-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927700 756613068 /nfs/dbraw/zinc/61/30/68/756613068.db2.gz KGTODCXIUVZBRX-FSDCSDTHSA-N 2 2 312.417 1.109 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927700 756613071 /nfs/dbraw/zinc/61/30/71/756613071.db2.gz KGTODCXIUVZBRX-FSDCSDTHSA-N 2 2 312.417 1.109 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384276 756978462 /nfs/dbraw/zinc/97/84/62/756978462.db2.gz OEUFPSLTMFAGEP-CQSZACIVSA-N 2 2 303.406 1.559 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384276 756978470 /nfs/dbraw/zinc/97/84/70/756978470.db2.gz OEUFPSLTMFAGEP-CQSZACIVSA-N 2 2 303.406 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442760 762537289 /nfs/dbraw/zinc/53/72/89/762537289.db2.gz FSQXSQFLAVBPGW-CRAIPNDOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442760 762537290 /nfs/dbraw/zinc/53/72/90/762537290.db2.gz FSQXSQFLAVBPGW-CRAIPNDOSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465953 757582374 /nfs/dbraw/zinc/58/23/74/757582374.db2.gz YYFUBIWURSTCIM-IJEWVQPXSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465953 757582382 /nfs/dbraw/zinc/58/23/82/757582382.db2.gz YYFUBIWURSTCIM-IJEWVQPXSA-N 2 2 300.406 1.164 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085036723 758171576 /nfs/dbraw/zinc/17/15/76/758171576.db2.gz GIPZYBMVZXCRPG-ANQUJSFKSA-N 2 2 312.417 1.080 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045623 758178284 /nfs/dbraw/zinc/17/82/84/758178284.db2.gz BIJUTFMLDUKYEC-ZACQAIPSSA-N 2 2 314.433 1.780 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045623 758178289 /nfs/dbraw/zinc/17/82/89/758178289.db2.gz BIJUTFMLDUKYEC-ZACQAIPSSA-N 2 2 314.433 1.780 20 30 DDEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001017847559 758293878 /nfs/dbraw/zinc/29/38/78/758293878.db2.gz RTTJJXLVQBSHFI-BBWFWOEESA-N 2 2 321.465 1.347 20 30 DDEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001017847559 758293886 /nfs/dbraw/zinc/29/38/86/758293886.db2.gz RTTJJXLVQBSHFI-BBWFWOEESA-N 2 2 321.465 1.347 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847559 758293893 /nfs/dbraw/zinc/29/38/93/758293893.db2.gz RTTJJXLVQBSHFI-BBWFWOEESA-N 2 2 321.465 1.347 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847559 758293904 /nfs/dbraw/zinc/29/39/04/758293904.db2.gz RTTJJXLVQBSHFI-BBWFWOEESA-N 2 2 321.465 1.347 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018011602 758471984 /nfs/dbraw/zinc/47/19/84/758471984.db2.gz IUOOVFKJMNGDHA-IYBDPMFKSA-N 2 2 314.433 1.705 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018011602 758471986 /nfs/dbraw/zinc/47/19/86/758471986.db2.gz IUOOVFKJMNGDHA-IYBDPMFKSA-N 2 2 314.433 1.705 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC001053541161 758546451 /nfs/dbraw/zinc/54/64/51/758546451.db2.gz URCKHWKGTMIHMC-IYBDPMFKSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC001053541161 758546459 /nfs/dbraw/zinc/54/64/59/758546459.db2.gz URCKHWKGTMIHMC-IYBDPMFKSA-N 2 2 321.465 1.349 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219216 759304553 /nfs/dbraw/zinc/30/45/53/759304553.db2.gz KFACHEXNSZDONP-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219216 759304565 /nfs/dbraw/zinc/30/45/65/759304565.db2.gz KFACHEXNSZDONP-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730495 767861156 /nfs/dbraw/zinc/86/11/56/767861156.db2.gz DUVWUGBCZNFFHQ-SFHVURJKSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730495 767861164 /nfs/dbraw/zinc/86/11/64/767861164.db2.gz DUVWUGBCZNFFHQ-SFHVURJKSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001054670544 759969104 /nfs/dbraw/zinc/96/91/04/759969104.db2.gz IDHXLOSJJDLDRX-GOEBONIOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676309 759977107 /nfs/dbraw/zinc/97/71/07/759977107.db2.gz MQRKOVAXNJNCAV-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676309 759977111 /nfs/dbraw/zinc/97/71/11/759977111.db2.gz MQRKOVAXNJNCAV-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019655479 760140652 /nfs/dbraw/zinc/14/06/52/760140652.db2.gz QLRZNJUCVXCOCP-INIZCTEOSA-N 2 2 323.400 1.225 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085894663 760480767 /nfs/dbraw/zinc/48/07/67/760480767.db2.gz IHEUGJZCWZBQMG-MRXNPFEDSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085894663 760480768 /nfs/dbraw/zinc/48/07/68/760480768.db2.gz IHEUGJZCWZBQMG-MRXNPFEDSA-N 2 2 309.373 1.047 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086406219 761556483 /nfs/dbraw/zinc/55/64/83/761556483.db2.gz DHCAKLCQWDTUCR-KKUMJFAQSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039174971 761798710 /nfs/dbraw/zinc/79/87/10/761798710.db2.gz IGSPOAWAORXYKF-MRXNPFEDSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039174971 761798718 /nfs/dbraw/zinc/79/87/18/761798718.db2.gz IGSPOAWAORXYKF-MRXNPFEDSA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727128 762886292 /nfs/dbraw/zinc/88/62/92/762886292.db2.gz KCEIHMLTBRMYBR-XHSDSOJGSA-N 2 2 322.412 1.940 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041401640 763006615 /nfs/dbraw/zinc/00/66/15/763006615.db2.gz CVZSIMUIRCNREK-GOSISDBHSA-N 2 2 315.417 1.743 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001041401640 763006619 /nfs/dbraw/zinc/00/66/19/763006619.db2.gz CVZSIMUIRCNREK-GOSISDBHSA-N 2 2 315.417 1.743 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077697 763098778 /nfs/dbraw/zinc/09/87/78/763098778.db2.gz DGXJKIJAYBIDRA-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077697 763098788 /nfs/dbraw/zinc/09/87/88/763098788.db2.gz DGXJKIJAYBIDRA-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152378 763225410 /nfs/dbraw/zinc/22/54/10/763225410.db2.gz NAVRZXNGZFUDAI-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152378 763225427 /nfs/dbraw/zinc/22/54/27/763225427.db2.gz NAVRZXNGZFUDAI-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711524 763238123 /nfs/dbraw/zinc/23/81/23/763238123.db2.gz GMICYHDDALHZTB-HNNXBMFYSA-N 2 2 308.813 1.629 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711524 763238128 /nfs/dbraw/zinc/23/81/28/763238128.db2.gz GMICYHDDALHZTB-HNNXBMFYSA-N 2 2 308.813 1.629 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116044 763669850 /nfs/dbraw/zinc/66/98/50/763669850.db2.gz GDYMDRQMTDZRKB-DYVFJYSZSA-N 2 2 308.385 1.733 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116044 763669853 /nfs/dbraw/zinc/66/98/53/763669853.db2.gz GDYMDRQMTDZRKB-DYVFJYSZSA-N 2 2 308.385 1.733 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042161540 763726324 /nfs/dbraw/zinc/72/63/24/763726324.db2.gz AQKCZFPWUVCPKL-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042161540 763726329 /nfs/dbraw/zinc/72/63/29/763726329.db2.gz AQKCZFPWUVCPKL-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246193 763813151 /nfs/dbraw/zinc/81/31/51/763813151.db2.gz CGNBZQCQEJZLTC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246193 763813155 /nfs/dbraw/zinc/81/31/55/763813155.db2.gz CGNBZQCQEJZLTC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C[NH+](C)CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113297989 765548001 /nfs/dbraw/zinc/54/80/01/765548001.db2.gz RMIUBEQWOJQYRM-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001044607232 765694291 /nfs/dbraw/zinc/69/42/91/765694291.db2.gz KFJDQWBDKHQEQT-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434953 767563158 /nfs/dbraw/zinc/56/31/58/767563158.db2.gz VBSRLHPTZSYTIQ-MAUKXSAKSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434953 767563165 /nfs/dbraw/zinc/56/31/65/767563165.db2.gz VBSRLHPTZSYTIQ-MAUKXSAKSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470303 767604525 /nfs/dbraw/zinc/60/45/25/767604525.db2.gz IGEFKSWCDMTUDI-QGZVFWFLSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470303 767604531 /nfs/dbraw/zinc/60/45/31/767604531.db2.gz IGEFKSWCDMTUDI-QGZVFWFLSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626823 767751152 /nfs/dbraw/zinc/75/11/52/767751152.db2.gz UWPGDIJJLQUXDE-KRWDZBQOSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001046626823 767751156 /nfs/dbraw/zinc/75/11/56/767751156.db2.gz UWPGDIJJLQUXDE-KRWDZBQOSA-N 2 2 316.405 1.098 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132999223 769393941 /nfs/dbraw/zinc/39/39/41/769393941.db2.gz ZJUUXLSFCNKKBN-HOTGVXAUSA-N 2 2 316.449 1.450 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021668 769412876 /nfs/dbraw/zinc/41/28/76/769412876.db2.gz SCMLMWQUMVOESO-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134513 769519015 /nfs/dbraw/zinc/51/90/15/769519015.db2.gz FATGXZJOPRUMKH-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133194232 769577148 /nfs/dbraw/zinc/57/71/48/769577148.db2.gz BCFVEVKVBMGLNH-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048908304 770093387 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2 314.433 1.923 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845878 771202976 /nfs/dbraw/zinc/20/29/76/771202976.db2.gz BZQRYNIMDWBADJ-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845878 771202978 /nfs/dbraw/zinc/20/29/78/771202978.db2.gz BZQRYNIMDWBADJ-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737830 771550020 /nfs/dbraw/zinc/55/00/20/771550020.db2.gz YRMGGRJNBWONGX-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589157 771602998 /nfs/dbraw/zinc/60/29/98/771602998.db2.gz KFVCBZQXYRPENK-JKSUJKDBSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682384 773199299 /nfs/dbraw/zinc/19/92/99/773199299.db2.gz OUDXSNAGTYFBBE-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682384 773199302 /nfs/dbraw/zinc/19/93/02/773199302.db2.gz OUDXSNAGTYFBBE-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682384 773199305 /nfs/dbraw/zinc/19/93/05/773199305.db2.gz OUDXSNAGTYFBBE-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682384 773199308 /nfs/dbraw/zinc/19/93/08/773199308.db2.gz OUDXSNAGTYFBBE-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945846 773733881 /nfs/dbraw/zinc/73/38/81/773733881.db2.gz KGDKNOABSUOSRJ-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229192 774019255 /nfs/dbraw/zinc/01/92/55/774019255.db2.gz GOOBCTDVBQMSJH-CJNGLKHVSA-N 2 2 322.840 1.793 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229192 774019262 /nfs/dbraw/zinc/01/92/62/774019262.db2.gz GOOBCTDVBQMSJH-CJNGLKHVSA-N 2 2 322.840 1.793 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771554 774561827 /nfs/dbraw/zinc/56/18/27/774561827.db2.gz JEDJMMGLBYXVKP-JKSUJKDBSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771554 774561831 /nfs/dbraw/zinc/56/18/31/774561831.db2.gz JEDJMMGLBYXVKP-JKSUJKDBSA-N 2 2 322.412 1.894 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099020637 774776362 /nfs/dbraw/zinc/77/63/62/774776362.db2.gz XMTJYZJJEZBWDG-DEYYWGMASA-N 2 2 314.433 1.986 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099020637 774776366 /nfs/dbraw/zinc/77/63/66/774776366.db2.gz XMTJYZJJEZBWDG-DEYYWGMASA-N 2 2 314.433 1.986 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324504 774947699 /nfs/dbraw/zinc/94/76/99/774947699.db2.gz NCWMDVYUFTWRRC-HNNXBMFYSA-N 2 2 316.449 1.891 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324504 774947700 /nfs/dbraw/zinc/94/77/00/774947700.db2.gz NCWMDVYUFTWRRC-HNNXBMFYSA-N 2 2 316.449 1.891 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054260 776797911 /nfs/dbraw/zinc/79/79/11/776797911.db2.gz RBYHGYQSEOJOBK-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054260 776797918 /nfs/dbraw/zinc/79/79/18/776797918.db2.gz RBYHGYQSEOJOBK-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C[NH+]1CC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172980711 776950700 /nfs/dbraw/zinc/95/07/00/776950700.db2.gz CEXIWNJKMXUFQG-KBPBESRZSA-N 2 2 308.426 1.429 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375124 777106895 /nfs/dbraw/zinc/10/68/95/777106895.db2.gz CQTXMTHUYBYYPO-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375124 777106903 /nfs/dbraw/zinc/10/69/03/777106903.db2.gz CQTXMTHUYBYYPO-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162514 778681462 /nfs/dbraw/zinc/68/14/62/778681462.db2.gz AHSRXTZOMPYWCU-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162514 778681465 /nfs/dbraw/zinc/68/14/65/778681465.db2.gz AHSRXTZOMPYWCU-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517574 778918550 /nfs/dbraw/zinc/91/85/50/778918550.db2.gz SVGIXARGPHHCQJ-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517574 778918556 /nfs/dbraw/zinc/91/85/56/778918556.db2.gz SVGIXARGPHHCQJ-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517574 778918563 /nfs/dbraw/zinc/91/85/63/778918563.db2.gz SVGIXARGPHHCQJ-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517574 778918569 /nfs/dbraw/zinc/91/85/69/778918569.db2.gz SVGIXARGPHHCQJ-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811103 779181142 /nfs/dbraw/zinc/18/11/42/779181142.db2.gz QSNGDYXVPYXFJD-UHFFFAOYSA-N 2 2 303.406 1.532 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852313 779199786 /nfs/dbraw/zinc/19/97/86/779199786.db2.gz PHKPQKMENCHUJO-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179022297 779249213 /nfs/dbraw/zinc/24/92/13/779249213.db2.gz NMAMFKJYWCPPBW-QEJZJMRPSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001179022297 779249233 /nfs/dbraw/zinc/24/92/33/779249233.db2.gz NMAMFKJYWCPPBW-QEJZJMRPSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725214 780378721 /nfs/dbraw/zinc/37/87/21/780378721.db2.gz PVSWQEWWPPNNFT-CQSZACIVSA-N 2 2 314.433 1.872 20 30 DDEDLP C=CCCC[N@@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001267198371 837521150 /nfs/dbraw/zinc/52/11/50/837521150.db2.gz NHMOXNCYGPQGHN-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCCC[N@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001267198371 837521159 /nfs/dbraw/zinc/52/11/59/837521159.db2.gz NHMOXNCYGPQGHN-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCCC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267198371 837521165 /nfs/dbraw/zinc/52/11/65/837521165.db2.gz NHMOXNCYGPQGHN-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCCC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001267198371 837521174 /nfs/dbraw/zinc/52/11/74/837521174.db2.gz NHMOXNCYGPQGHN-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047633 837249462 /nfs/dbraw/zinc/24/94/62/837249462.db2.gz PNVWXIWOFATKSL-AWEZNQCLSA-N 2 2 303.406 1.647 20 30 DDEDLP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001267945004 839236924 /nfs/dbraw/zinc/23/69/24/839236924.db2.gz UQULMCFLICYBPI-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001267945004 839236935 /nfs/dbraw/zinc/23/69/35/839236935.db2.gz UQULMCFLICYBPI-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269084921 841183577 /nfs/dbraw/zinc/18/35/77/841183577.db2.gz OZSPPQIOJAOJFB-NVXWUHKLSA-N 2 2 316.449 1.896 20 30 DDEDLP CC#CC[NH2+][C@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001269442151 841646411 /nfs/dbraw/zinc/64/64/11/841646411.db2.gz GLZRPIUHPLKBDR-MRXNPFEDSA-N 2 2 310.401 1.994 20 30 DDEDLP CCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272479172 846188844 /nfs/dbraw/zinc/18/88/44/846188844.db2.gz YVCRQUHQPMDZQF-UHFFFAOYSA-N 2 2 311.470 1.432 20 30 DDEDLP COC(=O)[C@@H]([NH3+])C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001155168830 861794983 /nfs/dbraw/zinc/79/49/83/861794983.db2.gz HYCSQJFNBHCORK-HNNXBMFYSA-N 2 2 302.378 1.173 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276714 848233396 /nfs/dbraw/zinc/23/33/96/848233396.db2.gz RFUUYIUFGIRQKH-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276714 848233406 /nfs/dbraw/zinc/23/34/06/848233406.db2.gz RFUUYIUFGIRQKH-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279018 848239246 /nfs/dbraw/zinc/23/92/46/848239246.db2.gz NVWYYYWDZKLECV-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279018 848239251 /nfs/dbraw/zinc/23/92/51/848239251.db2.gz NVWYYYWDZKLECV-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279018 848239260 /nfs/dbraw/zinc/23/92/60/848239260.db2.gz NVWYYYWDZKLECV-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279018 848239268 /nfs/dbraw/zinc/23/92/68/848239268.db2.gz NVWYYYWDZKLECV-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150011780 862026815 /nfs/dbraw/zinc/02/68/15/862026815.db2.gz DAQHVURDVCLDGL-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150011780 862026833 /nfs/dbraw/zinc/02/68/33/862026833.db2.gz DAQHVURDVCLDGL-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001327462683 862192058 /nfs/dbraw/zinc/19/20/58/862192058.db2.gz VFYHMTCZRTWKBB-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001327462684 862193117 /nfs/dbraw/zinc/19/31/17/862193117.db2.gz VFYHMTCZRTWKBB-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655407 852490565 /nfs/dbraw/zinc/49/05/65/852490565.db2.gz KCNNMBLYULOIHK-FUHWJXTLSA-N 2 2 323.481 1.332 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655407 852490568 /nfs/dbraw/zinc/49/05/68/852490568.db2.gz KCNNMBLYULOIHK-FUHWJXTLSA-N 2 2 323.481 1.332 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156161915 862763497 /nfs/dbraw/zinc/76/34/97/862763497.db2.gz JEPKGKODXINGFB-CQSZACIVSA-N 2 2 311.389 1.341 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001328266082 862843759 /nfs/dbraw/zinc/84/37/59/862843759.db2.gz GPRQYLLFGXTBPW-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001328266082 862843775 /nfs/dbraw/zinc/84/37/75/862843775.db2.gz GPRQYLLFGXTBPW-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544447 856954686 /nfs/dbraw/zinc/95/46/86/856954686.db2.gz CVTKWABRGRNNBX-CVEARBPZSA-N 2 2 314.433 1.625 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544447 856954690 /nfs/dbraw/zinc/95/46/90/856954690.db2.gz CVTKWABRGRNNBX-CVEARBPZSA-N 2 2 314.433 1.625 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001276388371 858366339 /nfs/dbraw/zinc/36/63/39/858366339.db2.gz HDHIFHOTQZOVEF-WBVHZDCISA-N 2 2 316.449 1.930 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)c(F)c2)CCC1=O ZINC001139529490 860426822 /nfs/dbraw/zinc/42/68/22/860426822.db2.gz UGIUDCLNVBAHCA-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1=O ZINC001139529490 860426824 /nfs/dbraw/zinc/42/68/24/860426824.db2.gz UGIUDCLNVBAHCA-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001328632021 863119405 /nfs/dbraw/zinc/11/94/05/863119405.db2.gz IRMCQJKOVOHOKH-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732224 863179522 /nfs/dbraw/zinc/17/95/22/863179522.db2.gz CPNWLGVTWLSIPW-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732224 863179525 /nfs/dbraw/zinc/17/95/25/863179525.db2.gz CPNWLGVTWLSIPW-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477826 863909058 /nfs/dbraw/zinc/90/90/58/863909058.db2.gz RAKCWYQESZWSTE-CJNGLKHVSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153477826 863909068 /nfs/dbraw/zinc/90/90/68/863909068.db2.gz RAKCWYQESZWSTE-CJNGLKHVSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153477826 863909075 /nfs/dbraw/zinc/90/90/75/863909075.db2.gz RAKCWYQESZWSTE-CJNGLKHVSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001153477826 863909085 /nfs/dbraw/zinc/90/90/85/863909085.db2.gz RAKCWYQESZWSTE-CJNGLKHVSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082919 864392733 /nfs/dbraw/zinc/39/27/33/864392733.db2.gz ATSLXNDJEPIEJQ-OCCSQVGLSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082919 864392744 /nfs/dbraw/zinc/39/27/44/864392744.db2.gz ATSLXNDJEPIEJQ-OCCSQVGLSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082919 864392758 /nfs/dbraw/zinc/39/27/58/864392758.db2.gz ATSLXNDJEPIEJQ-OCCSQVGLSA-N 2 2 302.422 1.283 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082919 864392770 /nfs/dbraw/zinc/39/27/70/864392770.db2.gz ATSLXNDJEPIEJQ-OCCSQVGLSA-N 2 2 302.422 1.283 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154892 864461219 /nfs/dbraw/zinc/46/12/19/864461219.db2.gz BGNJBJKNVIPJTN-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154892 864461221 /nfs/dbraw/zinc/46/12/21/864461221.db2.gz BGNJBJKNVIPJTN-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001331333156 865016567 /nfs/dbraw/zinc/01/65/67/865016567.db2.gz KUGBYKWXDGVMPP-BBRMVZONSA-N 2 2 302.422 1.438 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001331333156 865016575 /nfs/dbraw/zinc/01/65/75/865016575.db2.gz KUGBYKWXDGVMPP-BBRMVZONSA-N 2 2 302.422 1.438 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748580 866096579 /nfs/dbraw/zinc/09/65/79/866096579.db2.gz IUSWEBWOUNEIRY-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748580 866096596 /nfs/dbraw/zinc/09/65/96/866096596.db2.gz IUSWEBWOUNEIRY-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001323440705 866612936 /nfs/dbraw/zinc/61/29/36/866612936.db2.gz CGLZZHQZXYJMQY-AWEZNQCLSA-N 2 2 303.410 1.214 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001323440705 866612944 /nfs/dbraw/zinc/61/29/44/866612944.db2.gz CGLZZHQZXYJMQY-AWEZNQCLSA-N 2 2 303.410 1.214 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785876 866992666 /nfs/dbraw/zinc/99/26/66/866992666.db2.gz UUVRLGUPCBHNGE-UHFFFAOYSA-N 2 2 300.406 1.422 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785876 866992689 /nfs/dbraw/zinc/99/26/89/866992689.db2.gz UUVRLGUPCBHNGE-UHFFFAOYSA-N 2 2 300.406 1.422 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001324031086 867021810 /nfs/dbraw/zinc/02/18/10/867021810.db2.gz VTOCOQXSDDFDIO-KRWDZBQOSA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001324336530 867211057 /nfs/dbraw/zinc/21/10/57/867211057.db2.gz ZAFGZAUNCBAIOP-OAHLLOKOSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325427983 868021190 /nfs/dbraw/zinc/02/11/90/868021190.db2.gz KWFAMTDWSJXYAD-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593267 869647771 /nfs/dbraw/zinc/64/77/71/869647771.db2.gz HDYBFCILWYYILS-ZIAGYGMSSA-N 2 2 302.422 1.965 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593267 869647774 /nfs/dbraw/zinc/64/77/74/869647774.db2.gz HDYBFCILWYYILS-ZIAGYGMSSA-N 2 2 302.422 1.965 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138123 870339653 /nfs/dbraw/zinc/33/96/53/870339653.db2.gz ASKIGFOFPFBPAK-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138123 870339669 /nfs/dbraw/zinc/33/96/69/870339669.db2.gz ASKIGFOFPFBPAK-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138123 870339680 /nfs/dbraw/zinc/33/96/80/870339680.db2.gz ASKIGFOFPFBPAK-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138123 870339689 /nfs/dbraw/zinc/33/96/89/870339689.db2.gz ASKIGFOFPFBPAK-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317150574 870368635 /nfs/dbraw/zinc/36/86/35/870368635.db2.gz CMSGMBVTBBZNNE-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813421 870773881 /nfs/dbraw/zinc/77/38/81/870773881.db2.gz CPXRSWAZDVPZDA-CVEARBPZSA-N 2 2 314.433 1.704 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205515653 871601187 /nfs/dbraw/zinc/60/11/87/871601187.db2.gz AMMNRGOAEKABFR-UHFFFAOYSA-N 2 2 303.406 1.647 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001318342417 871945675 /nfs/dbraw/zinc/94/56/75/871945675.db2.gz SFCIYNAIXCTLLB-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001318342417 871945682 /nfs/dbraw/zinc/94/56/82/871945682.db2.gz SFCIYNAIXCTLLB-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP CC#CC[N@H+](C)CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001316829164 872127074 /nfs/dbraw/zinc/12/70/74/872127074.db2.gz AJABUFIVJDZDRO-MRXNPFEDSA-N 2 2 304.438 1.932 20 30 DDEDLP CC#CC[N@@H+](C)CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001316829164 872127081 /nfs/dbraw/zinc/12/70/81/872127081.db2.gz AJABUFIVJDZDRO-MRXNPFEDSA-N 2 2 304.438 1.932 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567635 874975373 /nfs/dbraw/zinc/97/53/73/874975373.db2.gz GVSXLTOZSHCWJG-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001378496595 874988049 /nfs/dbraw/zinc/98/80/49/874988049.db2.gz MDYNPUAQBKJMAB-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP N#Cc1nc2ccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cc2s1 ZINC001218910288 877800794 /nfs/dbraw/zinc/80/07/94/877800794.db2.gz IJBLUPLQADVWIW-FCHSOHFDSA-N 2 2 313.386 1.328 20 30 DDEDLP CNc1ccc(C#N)cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218980688 877852137 /nfs/dbraw/zinc/85/21/37/877852137.db2.gz IRPCTCUMGBWBDX-CQSZACIVSA-N 2 2 309.373 1.811 20 30 DDEDLP CC1(C)CC(=O)C=C(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001220413268 878994534 /nfs/dbraw/zinc/99/45/34/878994534.db2.gz DEAYNOWHNNIUAI-OAHLLOKOSA-N 2 2 301.390 1.648 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278569891 894290839 /nfs/dbraw/zinc/29/08/39/894290839.db2.gz ABLSOJZAHBLFBX-GDBMZVCRSA-N 2 2 315.417 1.531 20 30 DDEDLP C=C(C)C(=O)OCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945061 895571001 /nfs/dbraw/zinc/57/10/01/895571001.db2.gz WQJGXXGXNIYAQP-SFHVURJKSA-N 2 2 318.417 1.332 20 30 DDEDLP C=C(C)C(=O)OCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945061 895571013 /nfs/dbraw/zinc/57/10/13/895571013.db2.gz WQJGXXGXNIYAQP-SFHVURJKSA-N 2 2 318.417 1.332 20 30 DDEDLP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001264022564 900874376 /nfs/dbraw/zinc/87/43/76/900874376.db2.gz LDUBHDXFHNHNFB-NVXWUHKLSA-N 2 2 316.449 1.593 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265478417 902056016 /nfs/dbraw/zinc/05/60/16/902056016.db2.gz CMBSOSOPBJTLEE-SHTZXODSSA-N 2 2 316.449 1.965 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266102277 902945610 /nfs/dbraw/zinc/94/56/10/902945610.db2.gz GOJJSCZRAGCYER-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266102277 902945620 /nfs/dbraw/zinc/94/56/20/902945620.db2.gz GOJJSCZRAGCYER-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001279289072 903211367 /nfs/dbraw/zinc/21/13/67/903211367.db2.gz YIIYDROQMCUGTP-WKILWMFISA-N 2 2 316.449 1.498 20 30 DDEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001280367727 903613949 /nfs/dbraw/zinc/61/39/49/903613949.db2.gz PKQSYMFNOIGITP-BZUAXINKSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001281820804 905242368 /nfs/dbraw/zinc/24/23/68/905242368.db2.gz SIORYRITAFCRON-OAHLLOKOSA-N 2 2 320.437 1.353 20 30 DDEDLP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282158061 905586929 /nfs/dbraw/zinc/58/69/29/905586929.db2.gz WKDOVDAWVJFBQX-KGLIPLIRSA-N 2 2 314.389 1.081 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001282879392 906144320 /nfs/dbraw/zinc/14/43/20/906144320.db2.gz XRIQZCSNTHBQOJ-PHZGNYQRSA-N 2 2 302.422 1.533 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001282879392 906144338 /nfs/dbraw/zinc/14/43/38/906144338.db2.gz XRIQZCSNTHBQOJ-PHZGNYQRSA-N 2 2 302.422 1.533 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001282893943 906176454 /nfs/dbraw/zinc/17/64/54/906176454.db2.gz IGNZTMQTECKYCR-OSYLJGHBSA-N 2 2 316.449 1.924 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001282893943 906176459 /nfs/dbraw/zinc/17/64/59/906176459.db2.gz IGNZTMQTECKYCR-OSYLJGHBSA-N 2 2 316.449 1.924 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001283905137 908162844 /nfs/dbraw/zinc/16/28/44/908162844.db2.gz JFGHFPLRQQSBQN-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001375238489 915349212 /nfs/dbraw/zinc/34/92/12/915349212.db2.gz FVBODSBTVQCNIW-KGLIPLIRSA-N 2 2 322.840 1.682 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000329008396 539300321 /nfs/dbraw/zinc/30/03/21/539300321.db2.gz ZQPLVJJGDUQDPL-IHRRRGAJSA-N 2 2 304.394 1.336 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000329008396 539300322 /nfs/dbraw/zinc/30/03/22/539300322.db2.gz ZQPLVJJGDUQDPL-IHRRRGAJSA-N 2 2 304.394 1.336 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329108798 539301033 /nfs/dbraw/zinc/30/10/33/539301033.db2.gz IOQMRSXCXIAFPI-OAHLLOKOSA-N 2 2 317.437 1.804 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329108798 539301034 /nfs/dbraw/zinc/30/10/34/539301034.db2.gz IOQMRSXCXIAFPI-OAHLLOKOSA-N 2 2 317.437 1.804 20 30 DDEDLP N#Cc1cnccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000592060737 355480389 /nfs/dbraw/zinc/48/03/89/355480389.db2.gz XWFYFDAFTLDEHZ-UHFFFAOYSA-N 2 2 300.406 1.497 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000592183626 355528035 /nfs/dbraw/zinc/52/80/35/355528035.db2.gz UZHDQOHAGTXSAU-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000592183626 355528036 /nfs/dbraw/zinc/52/80/36/355528036.db2.gz UZHDQOHAGTXSAU-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000598617828 357655234 /nfs/dbraw/zinc/65/52/34/357655234.db2.gz HWJBFRPRUWASAJ-CVEARBPZSA-N 2 2 309.454 1.331 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000598617828 357655236 /nfs/dbraw/zinc/65/52/36/357655236.db2.gz HWJBFRPRUWASAJ-CVEARBPZSA-N 2 2 309.454 1.331 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609672110 360342717 /nfs/dbraw/zinc/34/27/17/360342717.db2.gz QGMZKOUDQONARN-CVEARBPZSA-N 2 2 309.373 1.618 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609672110 360342723 /nfs/dbraw/zinc/34/27/23/360342723.db2.gz QGMZKOUDQONARN-CVEARBPZSA-N 2 2 309.373 1.618 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598938 285040260 /nfs/dbraw/zinc/04/02/60/285040260.db2.gz GKCNIRHZJQYQBC-QBPKDAKJSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598938 285040261 /nfs/dbraw/zinc/04/02/61/285040261.db2.gz GKCNIRHZJQYQBC-QBPKDAKJSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598938 285040263 /nfs/dbraw/zinc/04/02/63/285040263.db2.gz GKCNIRHZJQYQBC-QBPKDAKJSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598938 285040265 /nfs/dbraw/zinc/04/02/65/285040265.db2.gz GKCNIRHZJQYQBC-QBPKDAKJSA-N 2 2 318.465 1.411 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054983 304392468 /nfs/dbraw/zinc/39/24/68/304392468.db2.gz IAKCHJHOQYAHSW-HUUCEWRRSA-N 2 2 309.373 1.308 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054983 304392470 /nfs/dbraw/zinc/39/24/70/304392470.db2.gz IAKCHJHOQYAHSW-HUUCEWRRSA-N 2 2 309.373 1.308 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054985 304392719 /nfs/dbraw/zinc/39/27/19/304392719.db2.gz IAKCHJHOQYAHSW-LSDHHAIUSA-N 2 2 309.373 1.308 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054985 304392721 /nfs/dbraw/zinc/39/27/21/304392721.db2.gz IAKCHJHOQYAHSW-LSDHHAIUSA-N 2 2 309.373 1.308 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C[NH3+])C1 ZINC000579809575 422835027 /nfs/dbraw/zinc/83/50/27/422835027.db2.gz OOKZDUDSOQBSBI-LLVKDONJSA-N 2 2 307.785 1.318 20 30 DDEDLP COc1ccc(CNC(=[NH2+])NCCCn2cc[nH+]c2)cc1OC ZINC000104152615 407348522 /nfs/dbraw/zinc/34/85/22/407348522.db2.gz NIWZRSRQNFDNIO-UHFFFAOYSA-N 2 2 317.393 1.395 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278870708 409105192 /nfs/dbraw/zinc/10/51/92/409105192.db2.gz MVTWMMFBEHHAEC-UHFFFAOYSA-N 2 2 313.401 1.523 20 30 DDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294117930 409243412 /nfs/dbraw/zinc/24/34/12/409243412.db2.gz NFBWIRXLSKKIOL-HNNXBMFYSA-N 2 2 314.433 1.538 20 30 DDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294117930 409243415 /nfs/dbraw/zinc/24/34/15/409243415.db2.gz NFBWIRXLSKKIOL-HNNXBMFYSA-N 2 2 314.433 1.538 20 30 DDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328923420 410009864 /nfs/dbraw/zinc/00/98/64/410009864.db2.gz CXSCZVGCIQCSRV-MLGOLLRUSA-N 2 2 318.421 1.867 20 30 DDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000328923420 410009869 /nfs/dbraw/zinc/00/98/69/410009869.db2.gz CXSCZVGCIQCSRV-MLGOLLRUSA-N 2 2 318.421 1.867 20 30 DDEDLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1=CC[N@H+](C)CC1 ZINC000329261740 410196668 /nfs/dbraw/zinc/19/66/68/410196668.db2.gz AYFGCJOMWADYNC-CYBMUJFWSA-N 2 2 317.437 1.802 20 30 DDEDLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1=CC[N@@H+](C)CC1 ZINC000329261740 410196680 /nfs/dbraw/zinc/19/66/80/410196680.db2.gz AYFGCJOMWADYNC-CYBMUJFWSA-N 2 2 317.437 1.802 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168547 410571481 /nfs/dbraw/zinc/57/14/81/410571481.db2.gz AYVFYLZTJFDENB-OLZOCXBDSA-N 2 2 314.393 1.335 20 30 DDEDLP CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000359071705 410552499 /nfs/dbraw/zinc/55/24/99/410552499.db2.gz PRCBADMXWMSXHG-INIZCTEOSA-N 2 2 314.433 1.796 20 30 DDEDLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000603114373 416632104 /nfs/dbraw/zinc/63/21/04/416632104.db2.gz YJPSXIOLLNUCEY-UHFFFAOYSA-N 2 2 318.425 1.267 20 30 DDEDLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000603114373 416632107 /nfs/dbraw/zinc/63/21/07/416632107.db2.gz YJPSXIOLLNUCEY-UHFFFAOYSA-N 2 2 318.425 1.267 20 30 DDEDLP C[NH+]=C(NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)NC1CC1 ZINC000264029742 222309821 /nfs/dbraw/zinc/30/98/21/222309821.db2.gz DBRXLKPLFFNJPZ-OAHLLOKOSA-N 2 2 315.465 1.525 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCN(C)CC1 ZINC000264107369 222318667 /nfs/dbraw/zinc/31/86/67/222318667.db2.gz OBHLBIAJEZDYJR-INIZCTEOSA-N 2 2 303.454 1.685 20 30 DDEDLP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC000459791398 420873740 /nfs/dbraw/zinc/87/37/40/420873740.db2.gz NHXIQTTYWVOQJJ-ZIAGYGMSSA-N 2 2 300.410 1.158 20 30 DDEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752145 421203056 /nfs/dbraw/zinc/20/30/56/421203056.db2.gz ZFQSPPSHNOMBNR-IEBWSBKVSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752145 421203057 /nfs/dbraw/zinc/20/30/57/421203057.db2.gz ZFQSPPSHNOMBNR-IEBWSBKVSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752145 421203059 /nfs/dbraw/zinc/20/30/59/421203059.db2.gz ZFQSPPSHNOMBNR-IEBWSBKVSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752145 421203062 /nfs/dbraw/zinc/20/30/62/421203062.db2.gz ZFQSPPSHNOMBNR-IEBWSBKVSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491816014 421204264 /nfs/dbraw/zinc/20/42/64/421204264.db2.gz VUSSKUZJFLMHBF-QGZVFWFLSA-N 2 2 323.481 1.195 20 30 DDEDLP CC(C)[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109757 421679857 /nfs/dbraw/zinc/67/98/57/421679857.db2.gz FJKPVNHQSRJTRD-QZTJIDSGSA-N 2 2 324.513 1.539 20 30 DDEDLP CC(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109757 421679858 /nfs/dbraw/zinc/67/98/58/421679858.db2.gz FJKPVNHQSRJTRD-QZTJIDSGSA-N 2 2 324.513 1.539 20 30 DDEDLP C=C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631176519 422584302 /nfs/dbraw/zinc/58/43/02/422584302.db2.gz DBJCZRUWXKLFTE-MRXNPFEDSA-N 2 2 306.406 1.034 20 30 DDEDLP CC#CC[NH2+]Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000640943155 423289392 /nfs/dbraw/zinc/28/93/92/423289392.db2.gz USTUOSDZWWOXGC-UHFFFAOYSA-N 2 2 320.400 1.684 20 30 DDEDLP C=CC[N@H+](CCOC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639608689 423602245 /nfs/dbraw/zinc/60/22/45/423602245.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CC[NH+](CCOC)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639608689 423602250 /nfs/dbraw/zinc/60/22/50/423602250.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CC[NH+](CCOC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639608689 423602256 /nfs/dbraw/zinc/60/22/56/423602256.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000364475911 269653244 /nfs/dbraw/zinc/65/32/44/269653244.db2.gz IIHGDJMATNSECR-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915482 276121718 /nfs/dbraw/zinc/12/17/18/276121718.db2.gz UQUSQSGPKKHABY-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915482 276121719 /nfs/dbraw/zinc/12/17/19/276121719.db2.gz UQUSQSGPKKHABY-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134915482 276121720 /nfs/dbraw/zinc/12/17/20/276121720.db2.gz UQUSQSGPKKHABY-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134915482 276121723 /nfs/dbraw/zinc/12/17/23/276121723.db2.gz UQUSQSGPKKHABY-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NCc3nc(C#N)cs3)CC2)CC1 ZINC000518445467 332044242 /nfs/dbraw/zinc/04/42/42/332044242.db2.gz LZTIFBKYNVRZTQ-UHFFFAOYSA-N 2 2 319.478 1.663 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000520604641 335994164 /nfs/dbraw/zinc/99/41/64/335994164.db2.gz WLEHLINZFPTOMJ-CVEARBPZSA-N 2 2 302.422 1.687 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191634 533899811 /nfs/dbraw/zinc/89/98/11/533899811.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191634 533899820 /nfs/dbraw/zinc/89/98/20/533899820.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191634 533899830 /nfs/dbraw/zinc/89/98/30/533899830.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191634 533899835 /nfs/dbraw/zinc/89/98/35/533899835.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191634 533899844 /nfs/dbraw/zinc/89/98/44/533899844.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191634 533899851 /nfs/dbraw/zinc/89/98/51/533899851.db2.gz NFPOUOFJCXZSPI-AGIUHOORSA-N 2 2 303.410 1.327 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000491691557 527212967 /nfs/dbraw/zinc/21/29/67/527212967.db2.gz FDUSWBCWYDIXIM-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000491691557 527212972 /nfs/dbraw/zinc/21/29/72/527212972.db2.gz FDUSWBCWYDIXIM-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491741488 527330403 /nfs/dbraw/zinc/33/04/03/527330403.db2.gz IORATNHPFNILCN-IRXDYDNUSA-N 2 2 313.445 1.845 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491741488 527330409 /nfs/dbraw/zinc/33/04/09/527330409.db2.gz IORATNHPFNILCN-IRXDYDNUSA-N 2 2 313.445 1.845 20 30 DDEDLP CCCN1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1=O ZINC000329983958 528217089 /nfs/dbraw/zinc/21/70/89/528217089.db2.gz PZWYJZAWYDECLU-UHFFFAOYSA-N 2 2 324.469 1.372 20 30 DDEDLP CCCN1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1=O ZINC000329983958 528217093 /nfs/dbraw/zinc/21/70/93/528217093.db2.gz PZWYJZAWYDECLU-UHFFFAOYSA-N 2 2 324.469 1.372 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419819 695244827 /nfs/dbraw/zinc/24/48/27/695244827.db2.gz JWDSSEDGZCEQRE-DOTOQJQBSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419819 695244830 /nfs/dbraw/zinc/24/48/30/695244830.db2.gz JWDSSEDGZCEQRE-DOTOQJQBSA-N 2 2 309.454 1.062 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735764 695721538 /nfs/dbraw/zinc/72/15/38/695721538.db2.gz QRPKJCXNCBQWEP-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735764 695721539 /nfs/dbraw/zinc/72/15/39/695721539.db2.gz QRPKJCXNCBQWEP-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738631 695722650 /nfs/dbraw/zinc/72/26/50/695722650.db2.gz CTTQPUJGUYZMPA-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738631 695722651 /nfs/dbraw/zinc/72/26/51/695722651.db2.gz CTTQPUJGUYZMPA-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042199 695783123 /nfs/dbraw/zinc/78/31/23/695783123.db2.gz OKBYISWYSWPLNO-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042199 695783124 /nfs/dbraw/zinc/78/31/24/695783124.db2.gz OKBYISWYSWPLNO-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP CCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000085262919 696562566 /nfs/dbraw/zinc/56/25/66/696562566.db2.gz LDSKXWCABAKSEF-UHFFFAOYSA-N 2 2 304.438 1.893 20 30 DDEDLP [NH2+]=C(NCC1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104154416 696618759 /nfs/dbraw/zinc/61/87/59/696618759.db2.gz SOYJSDVTQGFMJC-UHFFFAOYSA-N 2 2 308.470 1.726 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982057891 697017251 /nfs/dbraw/zinc/01/72/51/697017251.db2.gz CAIVFGHNSTWGJN-UHFFFAOYSA-N 2 2 302.422 1.564 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982057891 697017252 /nfs/dbraw/zinc/01/72/52/697017252.db2.gz CAIVFGHNSTWGJN-UHFFFAOYSA-N 2 2 302.422 1.564 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454468 697101499 /nfs/dbraw/zinc/10/14/99/697101499.db2.gz RNSVPRRLJIPQIK-LSDHHAIUSA-N 2 2 323.400 1.531 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483353 697108460 /nfs/dbraw/zinc/10/84/60/697108460.db2.gz HONQDDTUAYQDPG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483353 697108462 /nfs/dbraw/zinc/10/84/62/697108462.db2.gz HONQDDTUAYQDPG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982851305 697185361 /nfs/dbraw/zinc/18/53/61/697185361.db2.gz NRZCHANQUZSAKZ-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982851305 697185362 /nfs/dbraw/zinc/18/53/62/697185362.db2.gz NRZCHANQUZSAKZ-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985512136 697523080 /nfs/dbraw/zinc/52/30/80/697523080.db2.gz FCPVBTHNEYPPQD-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985512136 697523081 /nfs/dbraw/zinc/52/30/81/697523081.db2.gz FCPVBTHNEYPPQD-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000985559371 697530432 /nfs/dbraw/zinc/53/04/32/697530432.db2.gz SFAOEXNIBHISAO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000985559371 697530433 /nfs/dbraw/zinc/53/04/33/697530433.db2.gz SFAOEXNIBHISAO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000985559371 697530436 /nfs/dbraw/zinc/53/04/36/697530436.db2.gz SFAOEXNIBHISAO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000985559371 697530438 /nfs/dbraw/zinc/53/04/38/697530438.db2.gz SFAOEXNIBHISAO-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000987441344 698118079 /nfs/dbraw/zinc/11/80/79/698118079.db2.gz PSQIKELLZBSNFE-TZMCWYRMSA-N 2 2 310.829 1.684 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613715 698695203 /nfs/dbraw/zinc/69/52/03/698695203.db2.gz VAWJNXUSQQDANA-XJKSGUPXSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000732066582 699545299 /nfs/dbraw/zinc/54/52/99/699545299.db2.gz RTXPTLRXJSJDIX-KRWDZBQOSA-N 2 2 315.417 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000732066582 699545300 /nfs/dbraw/zinc/54/53/00/699545300.db2.gz RTXPTLRXJSJDIX-KRWDZBQOSA-N 2 2 315.417 1.663 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000876750492 705856578 /nfs/dbraw/zinc/85/65/78/705856578.db2.gz HQMRDPMVWYFTJS-ZIAGYGMSSA-N 2 2 315.845 1.170 20 30 DDEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000872206557 707327942 /nfs/dbraw/zinc/32/79/42/707327942.db2.gz XAIBQZGTMSTETA-IPMKNSEASA-N 2 2 314.429 1.394 20 30 DDEDLP C#C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000872206557 707327945 /nfs/dbraw/zinc/32/79/45/707327945.db2.gz XAIBQZGTMSTETA-IPMKNSEASA-N 2 2 314.429 1.394 20 30 DDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccn3cc[nH+]c3c1)C2 ZINC000884223062 708197604 /nfs/dbraw/zinc/19/76/04/708197604.db2.gz IBVUURQKECTKET-UUCFBXCCSA-N 2 2 309.373 1.090 20 30 DDEDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902777027 710898525 /nfs/dbraw/zinc/89/85/25/710898525.db2.gz RCJBCIZPISKGBV-INIZCTEOSA-N 2 2 300.406 1.373 20 30 DDEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1cnc(N2CCCC2)nc1 ZINC000915974991 713436971 /nfs/dbraw/zinc/43/69/71/713436971.db2.gz MWRNNNSWADDMEW-UHFFFAOYSA-N 2 2 302.426 1.486 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000931718183 714168324 /nfs/dbraw/zinc/16/83/24/714168324.db2.gz LQMQJSUNCDJJFR-XHSDSOJGSA-N 2 2 307.438 1.226 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000931718183 714168325 /nfs/dbraw/zinc/16/83/25/714168325.db2.gz LQMQJSUNCDJJFR-XHSDSOJGSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000931718183 714168328 /nfs/dbraw/zinc/16/83/28/714168328.db2.gz LQMQJSUNCDJJFR-XHSDSOJGSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000931718183 714168329 /nfs/dbraw/zinc/16/83/29/714168329.db2.gz LQMQJSUNCDJJFR-XHSDSOJGSA-N 2 2 307.438 1.226 20 30 DDEDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924757717 714657877 /nfs/dbraw/zinc/65/78/77/714657877.db2.gz QMAUBFISTTVCOB-GOEBONIOSA-N 2 2 303.406 1.761 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961366861 716924072 /nfs/dbraw/zinc/92/40/72/716924072.db2.gz VHYWEYYOBDHJLT-PIIMJCKOSA-N 2 2 320.396 1.556 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961366861 716924077 /nfs/dbraw/zinc/92/40/77/716924077.db2.gz VHYWEYYOBDHJLT-PIIMJCKOSA-N 2 2 320.396 1.556 20 30 DDEDLP N#Cc1cccc(C[NH2+]CC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000962460655 717462797 /nfs/dbraw/zinc/46/27/97/717462797.db2.gz KQJYWWBASDQJCK-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946572755 718838036 /nfs/dbraw/zinc/83/80/36/718838036.db2.gz ABXLIYNEKXJSAV-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946572755 718838040 /nfs/dbraw/zinc/83/80/40/718838040.db2.gz ABXLIYNEKXJSAV-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947919914 719307573 /nfs/dbraw/zinc/30/75/73/719307573.db2.gz AQJODNALASNMAU-GJZGRUSLSA-N 2 2 323.400 1.483 20 30 DDEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000949483856 720115975 /nfs/dbraw/zinc/11/59/75/720115975.db2.gz ZVABBHVAENSVEO-UHFFFAOYSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000949483856 720115980 /nfs/dbraw/zinc/11/59/80/720115980.db2.gz ZVABBHVAENSVEO-UHFFFAOYSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970002370 720593963 /nfs/dbraw/zinc/59/39/63/720593963.db2.gz WGJPLJAJGPITFX-GXTWGEPZSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970002370 720593965 /nfs/dbraw/zinc/59/39/65/720593965.db2.gz WGJPLJAJGPITFX-GXTWGEPZSA-N 2 2 316.449 1.836 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952407646 721439287 /nfs/dbraw/zinc/43/92/87/721439287.db2.gz WRSFXZWEAQNLOE-KRWDZBQOSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952407646 721439289 /nfs/dbraw/zinc/43/92/89/721439289.db2.gz WRSFXZWEAQNLOE-KRWDZBQOSA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585564 735325024 /nfs/dbraw/zinc/32/50/24/735325024.db2.gz HEWDJDUZOOQBHG-GJZGRUSLSA-N 2 2 314.433 1.681 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585564 735325028 /nfs/dbraw/zinc/32/50/28/735325028.db2.gz HEWDJDUZOOQBHG-GJZGRUSLSA-N 2 2 314.433 1.681 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602041 735338708 /nfs/dbraw/zinc/33/87/08/735338708.db2.gz XZTJMHGEHPBYIR-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602041 735338711 /nfs/dbraw/zinc/33/87/11/735338711.db2.gz XZTJMHGEHPBYIR-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752897 733514053 /nfs/dbraw/zinc/51/40/53/733514053.db2.gz AICLMYWISJLNMM-GJZGRUSLSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752897 733514055 /nfs/dbraw/zinc/51/40/55/733514055.db2.gz AICLMYWISJLNMM-GJZGRUSLSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159193 735064879 /nfs/dbraw/zinc/06/48/79/735064879.db2.gz TVGOTWKNFIWJCY-PHIMTYICSA-N 2 2 313.199 1.029 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516398 735894203 /nfs/dbraw/zinc/89/42/03/735894203.db2.gz JYNYCJQHPBTUEI-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516398 735894207 /nfs/dbraw/zinc/89/42/07/735894207.db2.gz JYNYCJQHPBTUEI-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461276 736691108 /nfs/dbraw/zinc/69/11/08/736691108.db2.gz RUAPFQVNKWKOCA-KBPBESRZSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461276 736691110 /nfs/dbraw/zinc/69/11/10/736691110.db2.gz RUAPFQVNKWKOCA-KBPBESRZSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]12 ZINC001026407752 737498431 /nfs/dbraw/zinc/49/84/31/737498431.db2.gz SJOMYGLFMHEMIR-QLFBSQMISA-N 2 2 302.422 1.663 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001026517332 737628252 /nfs/dbraw/zinc/62/82/52/737628252.db2.gz AYFDFVBJFBJPNC-NFOMZHRRSA-N 2 2 300.406 1.096 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105163 739040448 /nfs/dbraw/zinc/04/04/48/739040448.db2.gz PCTJEDYKZQDDMG-HNNXBMFYSA-N 2 2 303.406 1.559 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105163 739040454 /nfs/dbraw/zinc/04/04/54/739040454.db2.gz PCTJEDYKZQDDMG-HNNXBMFYSA-N 2 2 303.406 1.559 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035388094 751457837 /nfs/dbraw/zinc/45/78/37/751457837.db2.gz AXDVRVVADGOYET-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035388094 751457839 /nfs/dbraw/zinc/45/78/39/751457839.db2.gz AXDVRVVADGOYET-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035388094 751457840 /nfs/dbraw/zinc/45/78/40/751457840.db2.gz AXDVRVVADGOYET-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035388094 751457841 /nfs/dbraw/zinc/45/78/41/751457841.db2.gz AXDVRVVADGOYET-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#CC)[C@@H]1CC ZINC001087607919 740675726 /nfs/dbraw/zinc/67/57/26/740675726.db2.gz GBXRLOCYDMWRFN-BBWFWOEESA-N 2 2 301.434 1.076 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#CC)[C@@H]1CC ZINC001087607919 740675728 /nfs/dbraw/zinc/67/57/28/740675728.db2.gz GBXRLOCYDMWRFN-BBWFWOEESA-N 2 2 301.434 1.076 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CC)[C@@H]1CC ZINC001087607919 740675732 /nfs/dbraw/zinc/67/57/32/740675732.db2.gz GBXRLOCYDMWRFN-BBWFWOEESA-N 2 2 301.434 1.076 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CC)[C@@H]1CC ZINC001087607919 740675734 /nfs/dbraw/zinc/67/57/34/740675734.db2.gz GBXRLOCYDMWRFN-BBWFWOEESA-N 2 2 301.434 1.076 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441671 740681735 /nfs/dbraw/zinc/68/17/35/740681735.db2.gz DEXPYXGICUPCQI-CABCVRRESA-N 2 2 318.421 1.172 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721022 740720676 /nfs/dbraw/zinc/72/06/76/740720676.db2.gz XUONLXRBUMODEQ-KCQAQPDRSA-N 2 2 300.406 1.432 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721022 740720678 /nfs/dbraw/zinc/72/06/78/740720678.db2.gz XUONLXRBUMODEQ-KCQAQPDRSA-N 2 2 300.406 1.432 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018819 740951118 /nfs/dbraw/zinc/95/11/18/740951118.db2.gz MHJHWHAORPVTEG-XHSDSOJGSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018819 740951120 /nfs/dbraw/zinc/95/11/20/740951120.db2.gz MHJHWHAORPVTEG-XHSDSOJGSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088111507 741037956 /nfs/dbraw/zinc/03/79/56/741037956.db2.gz DBHGLYAOAQNGRB-QKPAOTATSA-N 2 2 314.433 1.490 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088111507 741037957 /nfs/dbraw/zinc/03/79/57/741037957.db2.gz DBHGLYAOAQNGRB-QKPAOTATSA-N 2 2 314.433 1.490 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C ZINC001088631552 742028516 /nfs/dbraw/zinc/02/85/16/742028516.db2.gz RSCRFILYIGVUHA-IKGGRYGDSA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088631552 742028521 /nfs/dbraw/zinc/02/85/21/742028521.db2.gz RSCRFILYIGVUHA-IKGGRYGDSA-N 2 2 303.450 1.629 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088631552 742028523 /nfs/dbraw/zinc/02/85/23/742028523.db2.gz RSCRFILYIGVUHA-IKGGRYGDSA-N 2 2 303.450 1.629 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038110986 742129466 /nfs/dbraw/zinc/12/94/66/742129466.db2.gz POQXTQBQEITMAC-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001038110986 742129467 /nfs/dbraw/zinc/12/94/67/742129467.db2.gz POQXTQBQEITMAC-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038110986 742129468 /nfs/dbraw/zinc/12/94/68/742129468.db2.gz POQXTQBQEITMAC-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038110986 742129469 /nfs/dbraw/zinc/12/94/69/742129469.db2.gz POQXTQBQEITMAC-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181787219 743342114 /nfs/dbraw/zinc/34/21/14/743342114.db2.gz SENOKSNISPXSHX-ATNYBXOESA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181787219 743342123 /nfs/dbraw/zinc/34/21/23/743342123.db2.gz SENOKSNISPXSHX-ATNYBXOESA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855162 743738705 /nfs/dbraw/zinc/73/87/05/743738705.db2.gz FPIMJJSCBPIOJV-IIDMSEBBSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855162 743738709 /nfs/dbraw/zinc/73/87/09/743738709.db2.gz FPIMJJSCBPIOJV-IIDMSEBBSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575214 743861658 /nfs/dbraw/zinc/86/16/58/743861658.db2.gz KMDIRSSVFILGPX-SJLPKXTDSA-N 2 2 316.449 1.761 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575155 743861684 /nfs/dbraw/zinc/86/16/84/743861684.db2.gz HKOPDHBEUNQGHS-SJLPKXTDSA-N 2 2 316.449 1.761 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765533 743900476 /nfs/dbraw/zinc/90/04/76/743900476.db2.gz UROVAMCSFMFTEF-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399083 744033927 /nfs/dbraw/zinc/03/39/27/744033927.db2.gz HKYKCYIOPUMZJN-RHSMWYFYSA-N 2 2 324.428 1.964 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184798716 744102687 /nfs/dbraw/zinc/10/26/87/744102687.db2.gz JQRQLXBPBPCXQI-CABCVRRESA-N 2 2 310.401 1.655 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849327 744208710 /nfs/dbraw/zinc/20/87/10/744208710.db2.gz NBIHSLHNBVXDAU-MCIONIFRSA-N 2 2 302.422 1.985 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000992868004 745252638 /nfs/dbraw/zinc/25/26/38/745252638.db2.gz CEFRVLLWAWKHFT-BHYGNILZSA-N 2 2 314.433 1.203 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106274804 745514085 /nfs/dbraw/zinc/51/40/85/745514085.db2.gz WCTGAHPQERBQOH-FMKGYKFTSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106274804 745514089 /nfs/dbraw/zinc/51/40/89/745514089.db2.gz WCTGAHPQERBQOH-FMKGYKFTSA-N 2 2 322.840 1.950 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478231 745517406 /nfs/dbraw/zinc/51/74/06/745517406.db2.gz GMNNGPJJMGNLNT-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478231 745517408 /nfs/dbraw/zinc/51/74/08/745517408.db2.gz GMNNGPJJMGNLNT-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001031161524 745551570 /nfs/dbraw/zinc/55/15/70/745551570.db2.gz SQELOZQVAWKEJM-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366879 748217319 /nfs/dbraw/zinc/21/73/19/748217319.db2.gz JUFRMNVIRHXTEW-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968336 748324455 /nfs/dbraw/zinc/32/44/55/748324455.db2.gz VPDAJWRTYYBQJZ-CQSZACIVSA-N 2 2 302.422 1.844 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089882103 748673303 /nfs/dbraw/zinc/67/33/03/748673303.db2.gz VHTNOEUQMLOSAX-VGWMRTNUSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089882103 748673306 /nfs/dbraw/zinc/67/33/06/748673306.db2.gz VHTNOEUQMLOSAX-VGWMRTNUSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253292 761890284 /nfs/dbraw/zinc/89/02/84/761890284.db2.gz CNVPVGLQENUMKP-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253292 761890294 /nfs/dbraw/zinc/89/02/94/761890294.db2.gz CNVPVGLQENUMKP-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001039279680 761907442 /nfs/dbraw/zinc/90/74/42/761907442.db2.gz BHEYAAJFPFQART-MQVJKMGUSA-N 2 2 300.406 1.477 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001039279680 761907446 /nfs/dbraw/zinc/90/74/46/761907446.db2.gz BHEYAAJFPFQART-MQVJKMGUSA-N 2 2 300.406 1.477 20 30 DDEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)C(C)C)c2C1 ZINC001128594213 749223933 /nfs/dbraw/zinc/22/39/33/749223933.db2.gz UTBBJLMOYCASJA-UHFFFAOYSA-N 2 2 319.453 1.231 20 30 DDEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)C(C)C)c2C1 ZINC001128594213 749223936 /nfs/dbraw/zinc/22/39/36/749223936.db2.gz UTBBJLMOYCASJA-UHFFFAOYSA-N 2 2 319.453 1.231 20 30 DDEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128594213 749223940 /nfs/dbraw/zinc/22/39/40/749223940.db2.gz UTBBJLMOYCASJA-UHFFFAOYSA-N 2 2 319.453 1.231 20 30 DDEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128594213 749223943 /nfs/dbraw/zinc/22/39/43/749223943.db2.gz UTBBJLMOYCASJA-UHFFFAOYSA-N 2 2 319.453 1.231 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996480167 749615407 /nfs/dbraw/zinc/61/54/07/749615407.db2.gz LPDKRBPTUJECSL-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033703305 749739055 /nfs/dbraw/zinc/73/90/55/749739055.db2.gz XFQRPJSUIPMMOF-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033703305 749739058 /nfs/dbraw/zinc/73/90/58/749739058.db2.gz XFQRPJSUIPMMOF-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874573 750007938 /nfs/dbraw/zinc/00/79/38/750007938.db2.gz BFNJQVAHYZQNLX-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033877627 750016716 /nfs/dbraw/zinc/01/67/16/750016716.db2.gz LBNFJKTXBOBRQM-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033877627 750016723 /nfs/dbraw/zinc/01/67/23/750016723.db2.gz LBNFJKTXBOBRQM-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033877627 750016725 /nfs/dbraw/zinc/01/67/25/750016725.db2.gz LBNFJKTXBOBRQM-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033877627 750016733 /nfs/dbraw/zinc/01/67/33/750016733.db2.gz LBNFJKTXBOBRQM-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878919 750033513 /nfs/dbraw/zinc/03/35/13/750033513.db2.gz VORHYVPIHRNVPV-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878919 750033522 /nfs/dbraw/zinc/03/35/22/750033522.db2.gz VORHYVPIHRNVPV-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942904 750772562 /nfs/dbraw/zinc/77/25/62/750772562.db2.gz XTSCSWVWPCYHRQ-NVXWUHKLSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942904 750772565 /nfs/dbraw/zinc/77/25/65/750772565.db2.gz XTSCSWVWPCYHRQ-NVXWUHKLSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942904 750772567 /nfs/dbraw/zinc/77/25/67/750772567.db2.gz XTSCSWVWPCYHRQ-NVXWUHKLSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942904 750772569 /nfs/dbraw/zinc/77/25/69/750772569.db2.gz XTSCSWVWPCYHRQ-NVXWUHKLSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431049 750798041 /nfs/dbraw/zinc/79/80/41/750798041.db2.gz OYNRBDWTMRUTFH-GJZGRUSLSA-N 2 2 317.458 1.732 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431049 750798044 /nfs/dbraw/zinc/79/80/44/750798044.db2.gz OYNRBDWTMRUTFH-GJZGRUSLSA-N 2 2 317.458 1.732 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418206 762112241 /nfs/dbraw/zinc/11/22/41/762112241.db2.gz REJXGPHCVMRQII-QGZVFWFLSA-N 2 2 309.454 1.256 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418206 762112243 /nfs/dbraw/zinc/11/22/43/762112243.db2.gz REJXGPHCVMRQII-QGZVFWFLSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538879 752982389 /nfs/dbraw/zinc/98/23/89/752982389.db2.gz ZYASEZYAQPZLMP-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180768 753100153 /nfs/dbraw/zinc/10/01/53/753100153.db2.gz IGVSLKYDDGPFEQ-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180768 753100157 /nfs/dbraw/zinc/10/01/57/753100157.db2.gz IGVSLKYDDGPFEQ-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999820867 753189538 /nfs/dbraw/zinc/18/95/38/753189538.db2.gz MNYHZIACAMUWBX-MRXNPFEDSA-N 2 2 308.385 1.700 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999872679 753221221 /nfs/dbraw/zinc/22/12/21/753221221.db2.gz WHVCFIPJFKNGIQ-OFLPRAFFSA-N 2 2 321.465 1.252 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001000787323 762201325 /nfs/dbraw/zinc/20/13/25/762201325.db2.gz FLSGYYXGKRZPKP-FAOGRTBUSA-N 2 2 321.852 1.585 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001000787323 762201332 /nfs/dbraw/zinc/20/13/32/762201332.db2.gz FLSGYYXGKRZPKP-FAOGRTBUSA-N 2 2 321.852 1.585 20 30 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C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158745062 864877472 /nfs/dbraw/zinc/87/74/72/864877472.db2.gz ZWCQCTJYTGIMJF-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001320151680 866515879 /nfs/dbraw/zinc/51/58/79/866515879.db2.gz RIZARWMLZGGQBO-HUUCEWRRSA-N 2 2 302.422 1.251 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001323312430 866522241 /nfs/dbraw/zinc/52/22/41/866522241.db2.gz ZDUYCSBQNFAFMK-GOSISDBHSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001323312430 866522252 /nfs/dbraw/zinc/52/22/52/866522252.db2.gz ZDUYCSBQNFAFMK-GOSISDBHSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001323312430 866522256 /nfs/dbraw/zinc/52/22/56/866522256.db2.gz ZDUYCSBQNFAFMK-GOSISDBHSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001323312430 866522262 /nfs/dbraw/zinc/52/22/62/866522262.db2.gz ZDUYCSBQNFAFMK-GOSISDBHSA-N 2 2 315.461 1.928 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323732925 866804997 /nfs/dbraw/zinc/80/49/97/866804997.db2.gz AAQYZUOVXPHLDO-MRXNPFEDSA-N 2 2 304.438 1.307 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323732925 866805023 /nfs/dbraw/zinc/80/50/23/866805023.db2.gz AAQYZUOVXPHLDO-MRXNPFEDSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001323732925 866805044 /nfs/dbraw/zinc/80/50/44/866805044.db2.gz AAQYZUOVXPHLDO-MRXNPFEDSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001323732925 866805065 /nfs/dbraw/zinc/80/50/65/866805065.db2.gz AAQYZUOVXPHLDO-MRXNPFEDSA-N 2 2 304.438 1.307 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785345 866989996 /nfs/dbraw/zinc/98/99/96/866989996.db2.gz NCDVWQNHDSMZLO-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785345 866990004 /nfs/dbraw/zinc/99/00/04/866990004.db2.gz NCDVWQNHDSMZLO-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427758 867531536 /nfs/dbraw/zinc/53/15/36/867531536.db2.gz PGZTVDJKRMAYHC-UHFFFAOYSA-N 2 2 302.378 1.246 20 30 DDEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961503 882133348 /nfs/dbraw/zinc/13/33/48/882133348.db2.gz PBPDNGZPJCLZNO-HUUCEWRRSA-N 2 2 318.421 1.009 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322194577 868041667 /nfs/dbraw/zinc/04/16/67/868041667.db2.gz USYGNOLRXJAWFV-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322194577 868041683 /nfs/dbraw/zinc/04/16/83/868041683.db2.gz USYGNOLRXJAWFV-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819753 869721006 /nfs/dbraw/zinc/72/10/06/869721006.db2.gz XLQHPGCWSZEYOG-HNNXBMFYSA-N 2 2 314.433 1.345 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317154220 870375213 /nfs/dbraw/zinc/37/52/13/870375213.db2.gz UWIZJFBABGWFRL-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001317367900 870716922 /nfs/dbraw/zinc/71/69/22/870716922.db2.gz CHLXNDSPXAOUDZ-UHFFFAOYSA-N 2 2 324.428 1.745 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500252 871590123 /nfs/dbraw/zinc/59/01/23/871590123.db2.gz NCFVKJGGIQKSGC-QGZVFWFLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001318253647 871877564 /nfs/dbraw/zinc/87/75/64/871877564.db2.gz VVLLVLMOYIOLSK-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001318253647 871877589 /nfs/dbraw/zinc/87/75/89/871877589.db2.gz VVLLVLMOYIOLSK-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206320077 872211685 /nfs/dbraw/zinc/21/16/85/872211685.db2.gz RVYBMSXALNLMOB-HZPDHXFCSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCOCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898111 872728972 /nfs/dbraw/zinc/72/89/72/872728972.db2.gz CSVVDJWZXMPYGZ-UHFFFAOYSA-N 2 2 320.437 1.291 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208440006 874144433 /nfs/dbraw/zinc/14/44/33/874144433.db2.gz XFGPVNVGRPIAFA-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227176173 882894385 /nfs/dbraw/zinc/89/43/85/882894385.db2.gz UQZQOHQQKOHMTH-ARFHVFGLSA-N 2 2 314.433 1.486 20 30 DDEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866182 875150534 /nfs/dbraw/zinc/15/05/34/875150534.db2.gz PKZIRZKDBSTZEB-JKSUJKDBSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284702 875312830 /nfs/dbraw/zinc/31/28/30/875312830.db2.gz RRDCLMLPBVFMOD-IJEWVQPXSA-N 2 2 304.438 1.754 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284702 875312847 /nfs/dbraw/zinc/31/28/47/875312847.db2.gz RRDCLMLPBVFMOD-IJEWVQPXSA-N 2 2 304.438 1.754 20 30 DDEDLP C#CCCC[C@H]([NH3+])c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001217757470 877312330 /nfs/dbraw/zinc/31/23/30/877312330.db2.gz MODWNDYBNDSWGR-MCIONIFRSA-N 2 2 306.410 1.525 20 30 DDEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789507 877727370 /nfs/dbraw/zinc/72/73/70/877727370.db2.gz LBNZRCJJQWEKKS-JKSUJKDBSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789507 877727381 /nfs/dbraw/zinc/72/73/81/877727381.db2.gz LBNZRCJJQWEKKS-JKSUJKDBSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161681 879545527 /nfs/dbraw/zinc/54/55/27/879545527.db2.gz ZJOFXWOBXCOXDU-OAGGEKHMSA-N 2 2 320.437 1.179 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161681 879545536 /nfs/dbraw/zinc/54/55/36/879545536.db2.gz ZJOFXWOBXCOXDU-OAGGEKHMSA-N 2 2 320.437 1.179 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722884 880029784 /nfs/dbraw/zinc/02/97/84/880029784.db2.gz JGTQFEXGLAFOOS-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722884 880029799 /nfs/dbraw/zinc/02/97/99/880029799.db2.gz JGTQFEXGLAFOOS-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001223578387 881009052 /nfs/dbraw/zinc/00/90/52/881009052.db2.gz VVXGJHSLYUIURL-UHFFFAOYSA-N 2 2 303.406 1.647 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683181 884108388 /nfs/dbraw/zinc/10/83/88/884108388.db2.gz QHOSUJJKOVGBME-HZPDHXFCSA-N 2 2 304.438 1.946 20 30 DDEDLP C=C(C)COc1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054630 888372628 /nfs/dbraw/zinc/37/26/28/888372628.db2.gz QFOZQRCAHFIZQB-GOSISDBHSA-N 2 2 301.434 1.779 20 30 DDEDLP C=C(C)COc1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054630 888372641 /nfs/dbraw/zinc/37/26/41/888372641.db2.gz QFOZQRCAHFIZQB-GOSISDBHSA-N 2 2 301.434 1.779 20 30 DDEDLP N#CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001277941477 888601532 /nfs/dbraw/zinc/60/15/32/888601532.db2.gz PNJBBMIBSCHEQZ-IXDOHACOSA-N 2 2 316.449 1.450 20 30 DDEDLP N#CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001277941477 888601538 /nfs/dbraw/zinc/60/15/38/888601538.db2.gz PNJBBMIBSCHEQZ-IXDOHACOSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001278651926 895039234 /nfs/dbraw/zinc/03/92/34/895039234.db2.gz VWCGACZSNDOUPE-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001278705205 895742419 /nfs/dbraw/zinc/74/24/19/895742419.db2.gz UUTKBVLMJYCURB-RYUDHWBXSA-N 2 2 316.327 1.296 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006885 897799910 /nfs/dbraw/zinc/79/99/10/897799910.db2.gz RZGULNHXUJNGOE-HZPDHXFCSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC001262557000 900242225 /nfs/dbraw/zinc/24/22/25/900242225.db2.gz KYIYMNVAKSBHLF-SFHVURJKSA-N 2 2 316.445 1.730 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397415 901968637 /nfs/dbraw/zinc/96/86/37/901968637.db2.gz YOJVAUCTSKSWML-LSDHHAIUSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397415 901968654 /nfs/dbraw/zinc/96/86/54/901968654.db2.gz YOJVAUCTSKSWML-LSDHHAIUSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397415 901968672 /nfs/dbraw/zinc/96/86/72/901968672.db2.gz YOJVAUCTSKSWML-LSDHHAIUSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397415 901968682 /nfs/dbraw/zinc/96/86/82/901968682.db2.gz YOJVAUCTSKSWML-LSDHHAIUSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266010339 902749024 /nfs/dbraw/zinc/74/90/24/902749024.db2.gz HIDDKWFXCWPBRK-GDBMZVCRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155781 905583434 /nfs/dbraw/zinc/58/34/34/905583434.db2.gz JDVPQOKXFMTHMT-KGLIPLIRSA-N 2 2 316.405 1.633 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001282738810 906005227 /nfs/dbraw/zinc/00/52/27/906005227.db2.gz HZEXXKVVMMTNSZ-AWEZNQCLSA-N 2 2 302.422 1.432 20 30 DDEDLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001372280892 906902849 /nfs/dbraw/zinc/90/28/49/906902849.db2.gz BXHMKOWVHBBUIL-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001372280892 906902867 /nfs/dbraw/zinc/90/28/67/906902867.db2.gz BXHMKOWVHBBUIL-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001372280892 906902877 /nfs/dbraw/zinc/90/28/77/906902877.db2.gz BXHMKOWVHBBUIL-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001372280892 906902890 /nfs/dbraw/zinc/90/28/90/906902890.db2.gz BXHMKOWVHBBUIL-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283510505 907500348 /nfs/dbraw/zinc/50/03/48/907500348.db2.gz ZWWCJOOJNBLSBX-WBVHZDCISA-N 2 2 314.433 1.295 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001283928226 908195988 /nfs/dbraw/zinc/19/59/88/908195988.db2.gz RGNBMYZDSZFDFU-KGLIPLIRSA-N 2 2 306.410 1.042 20 30 DDEDLP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001373528333 910094497 /nfs/dbraw/zinc/09/44/97/910094497.db2.gz AQPQTBGYZUHWQB-UHFFFAOYSA-N 2 2 318.396 1.197 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001394699851 910332182 /nfs/dbraw/zinc/33/21/82/910332182.db2.gz FOKJEMRMFBNLFI-ZIAGYGMSSA-N 2 2 324.856 1.980 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001374027272 911675033 /nfs/dbraw/zinc/67/50/33/911675033.db2.gz ZBKYJLAQAWZZTA-GFCCVEGCSA-N 2 2 324.856 1.856 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001286472019 911990382 /nfs/dbraw/zinc/99/03/82/911990382.db2.gz CNULVEYDTZYORM-HNNXBMFYSA-N 2 2 318.469 1.072 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001286472019 911990408 /nfs/dbraw/zinc/99/04/08/911990408.db2.gz CNULVEYDTZYORM-HNNXBMFYSA-N 2 2 318.469 1.072 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001376323766 918232955 /nfs/dbraw/zinc/23/29/55/918232955.db2.gz BQVOKGSHYAKEKJ-ZIAGYGMSSA-N 2 2 324.856 1.932 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001377422505 921847044 /nfs/dbraw/zinc/84/70/44/921847044.db2.gz BVBOTYGFLWAZGC-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001377422505 921847066 /nfs/dbraw/zinc/84/70/66/921847066.db2.gz BVBOTYGFLWAZGC-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718574 353211529 /nfs/dbraw/zinc/21/15/29/353211529.db2.gz LNVVOWYRZNRMFL-DLBZAZTESA-N 2 2 320.481 1.802 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718574 353211532 /nfs/dbraw/zinc/21/15/32/353211532.db2.gz LNVVOWYRZNRMFL-DLBZAZTESA-N 2 2 320.481 1.802 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000081645010 353686126 /nfs/dbraw/zinc/68/61/26/353686126.db2.gz APYQQZULDKGJJS-CQSZACIVSA-N 2 2 319.836 1.768 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCCC#N ZINC000588751333 354933793 /nfs/dbraw/zinc/93/37/93/354933793.db2.gz TVLCVPIMUIBGTB-UHFFFAOYSA-N 2 2 308.470 1.945 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCCC#N ZINC000588751333 354933796 /nfs/dbraw/zinc/93/37/96/354933796.db2.gz TVLCVPIMUIBGTB-UHFFFAOYSA-N 2 2 308.470 1.945 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000594436842 356213750 /nfs/dbraw/zinc/21/37/50/356213750.db2.gz KAKPGQPJAAMMBN-KBPBESRZSA-N 2 2 301.394 1.188 20 30 DDEDLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C#N ZINC000594518361 356241623 /nfs/dbraw/zinc/24/16/23/356241623.db2.gz GLHXBQSJBDLLOY-QGZVFWFLSA-N 2 2 315.417 1.910 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000595905305 356699753 /nfs/dbraw/zinc/69/97/53/356699753.db2.gz BCXUDCMAWHNWQP-KRWDZBQOSA-N 2 2 317.433 1.980 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000595905305 356699756 /nfs/dbraw/zinc/69/97/56/356699756.db2.gz BCXUDCMAWHNWQP-KRWDZBQOSA-N 2 2 317.433 1.980 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H]([NH3+])CCCCC#N)CC1(C)C ZINC000595946884 356718447 /nfs/dbraw/zinc/71/84/47/356718447.db2.gz JRUDQHFFSGSSMO-STQMWFEESA-N 2 2 303.410 1.741 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595940918 356715246 /nfs/dbraw/zinc/71/52/46/356715246.db2.gz WDNXGLHDLNTDHY-CQSZACIVSA-N 2 2 301.394 1.319 20 30 DDEDLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000599164507 357835456 /nfs/dbraw/zinc/83/54/56/357835456.db2.gz FTGZFQHLWPDZOW-HNNXBMFYSA-N 2 2 317.437 1.448 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599443574 357939321 /nfs/dbraw/zinc/93/93/21/357939321.db2.gz BTPKIGQHGGUNMC-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599443574 357939324 /nfs/dbraw/zinc/93/93/24/357939324.db2.gz BTPKIGQHGGUNMC-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[N@@H+]1C1CC1 ZINC000600732176 358300230 /nfs/dbraw/zinc/30/02/30/358300230.db2.gz XVOFOXHJKGVXNX-FMKPAKJESA-N 2 2 307.438 1.273 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[N@H+]1C1CC1 ZINC000600732176 358300233 /nfs/dbraw/zinc/30/02/33/358300233.db2.gz XVOFOXHJKGVXNX-FMKPAKJESA-N 2 2 307.438 1.273 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1CC#N ZINC000601668344 358645818 /nfs/dbraw/zinc/64/58/18/358645818.db2.gz ZLFZPBOGDWPBIX-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1CC#N ZINC000601668344 358645821 /nfs/dbraw/zinc/64/58/21/358645821.db2.gz ZLFZPBOGDWPBIX-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP C[N@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)CC(C)(C)C ZINC000602085642 358806687 /nfs/dbraw/zinc/80/66/87/358806687.db2.gz JIZWDZJWAKDLNK-UHFFFAOYSA-N 2 2 324.469 1.039 20 30 DDEDLP C[N@@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)CC(C)(C)C ZINC000602085642 358806689 /nfs/dbraw/zinc/80/66/89/358806689.db2.gz JIZWDZJWAKDLNK-UHFFFAOYSA-N 2 2 324.469 1.039 20 30 DDEDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000618566813 363676404 /nfs/dbraw/zinc/67/64/04/363676404.db2.gz GYYAOXJLUDNWPO-INIZCTEOSA-N 2 2 300.406 1.373 20 30 DDEDLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329862015 223039361 /nfs/dbraw/zinc/03/93/61/223039361.db2.gz YGKDWELTGHVEPW-UHFFFAOYSA-N 2 2 303.410 1.487 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257589 360277104 /nfs/dbraw/zinc/27/71/04/360277104.db2.gz AFMQULXBOPKWDH-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257589 360277108 /nfs/dbraw/zinc/27/71/08/360277108.db2.gz AFMQULXBOPKWDH-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392427 360710628 /nfs/dbraw/zinc/71/06/28/360710628.db2.gz RBCHBILWTXLKEH-QGZVFWFLSA-N 2 2 312.417 1.299 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](C2CC2)CC1 ZINC000330189997 223084755 /nfs/dbraw/zinc/08/47/55/223084755.db2.gz VQZPNCZNJBTVHD-ZDUSSCGKSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(NC1CC[NH+](C2CC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330189997 223084759 /nfs/dbraw/zinc/08/47/59/223084759.db2.gz VQZPNCZNJBTVHD-ZDUSSCGKSA-N 2 2 303.410 1.328 20 30 DDEDLP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264968980 204313202 /nfs/dbraw/zinc/31/32/02/204313202.db2.gz QLFOBUANHVFZFW-KRWDZBQOSA-N 2 2 315.417 1.128 20 30 DDEDLP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264968980 204313205 /nfs/dbraw/zinc/31/32/05/204313205.db2.gz QLFOBUANHVFZFW-KRWDZBQOSA-N 2 2 315.417 1.128 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000124019063 407345271 /nfs/dbraw/zinc/34/52/71/407345271.db2.gz RXSANWOFLKLCTF-RDJZCZTQSA-N 2 2 314.433 1.638 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000170912820 407553964 /nfs/dbraw/zinc/55/39/64/407553964.db2.gz IAHAEPDJYVWGIZ-UHFFFAOYSA-N 2 2 306.410 1.533 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000170912820 407553972 /nfs/dbraw/zinc/55/39/72/407553972.db2.gz IAHAEPDJYVWGIZ-UHFFFAOYSA-N 2 2 306.410 1.533 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000152284081 407601140 /nfs/dbraw/zinc/60/11/40/407601140.db2.gz PFDBKLWGNQNWCW-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130391035 407684011 /nfs/dbraw/zinc/68/40/11/407684011.db2.gz KTTYOORORRRFMD-MRXNPFEDSA-N 2 2 312.373 1.991 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130391035 407684018 /nfs/dbraw/zinc/68/40/18/407684018.db2.gz KTTYOORORRRFMD-MRXNPFEDSA-N 2 2 312.373 1.991 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000268684562 408156063 /nfs/dbraw/zinc/15/60/63/408156063.db2.gz YDDPOIAFKSNMJQ-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000268684562 408156068 /nfs/dbraw/zinc/15/60/68/408156068.db2.gz YDDPOIAFKSNMJQ-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000264384522 408469294 /nfs/dbraw/zinc/46/92/94/408469294.db2.gz LYVMRSFNBRFITN-UHFFFAOYSA-N 2 2 305.426 1.613 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274815797 408542592 /nfs/dbraw/zinc/54/25/92/408542592.db2.gz IRNIUAJODCLNFP-RYRKJORJSA-N 2 2 313.445 1.625 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274815797 408542597 /nfs/dbraw/zinc/54/25/97/408542597.db2.gz IRNIUAJODCLNFP-RYRKJORJSA-N 2 2 313.445 1.625 20 30 DDEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000177487686 408636180 /nfs/dbraw/zinc/63/61/80/408636180.db2.gz KJQADTZUGOZAJJ-OAHLLOKOSA-N 2 2 324.469 1.226 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197126 410662150 /nfs/dbraw/zinc/66/21/50/410662150.db2.gz YELHVPNGVGAMBE-PVAVHDDUSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197126 410662154 /nfs/dbraw/zinc/66/21/54/410662154.db2.gz YELHVPNGVGAMBE-PVAVHDDUSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000337197126 410662160 /nfs/dbraw/zinc/66/21/60/410662160.db2.gz YELHVPNGVGAMBE-PVAVHDDUSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000337197126 410662163 /nfs/dbraw/zinc/66/21/63/410662163.db2.gz YELHVPNGVGAMBE-PVAVHDDUSA-N 2 2 303.450 1.722 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2sccc2C1 ZINC000261981482 222266336 /nfs/dbraw/zinc/26/63/36/222266336.db2.gz ICQVCOWUDTVLJS-LBPRGKRZSA-N 2 2 324.519 1.858 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2sccc2C1 ZINC000261981482 222266341 /nfs/dbraw/zinc/26/63/41/222266341.db2.gz ICQVCOWUDTVLJS-LBPRGKRZSA-N 2 2 324.519 1.858 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963726 222232368 /nfs/dbraw/zinc/23/23/68/222232368.db2.gz GMUIGGUVBZQOMF-JKSUJKDBSA-N 2 2 317.437 1.058 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963726 222232370 /nfs/dbraw/zinc/23/23/70/222232370.db2.gz GMUIGGUVBZQOMF-JKSUJKDBSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963726 222232373 /nfs/dbraw/zinc/23/23/73/222232373.db2.gz GMUIGGUVBZQOMF-JKSUJKDBSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963726 222232375 /nfs/dbraw/zinc/23/23/75/222232375.db2.gz GMUIGGUVBZQOMF-JKSUJKDBSA-N 2 2 317.437 1.058 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262007150 222269054 /nfs/dbraw/zinc/26/90/54/222269054.db2.gz VWEBOAKXBZNSKI-IUODEOHRSA-N 2 2 306.458 1.502 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262007150 222269059 /nfs/dbraw/zinc/26/90/59/222269059.db2.gz VWEBOAKXBZNSKI-IUODEOHRSA-N 2 2 306.458 1.502 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000265460398 222355064 /nfs/dbraw/zinc/35/50/64/222355064.db2.gz FKOOFMKIZRHKTN-INIZCTEOSA-N 2 2 301.394 1.398 20 30 DDEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000371456046 418792480 /nfs/dbraw/zinc/79/24/80/418792480.db2.gz MAKIOZWROFGIHG-INIZCTEOSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000371456046 418792482 /nfs/dbraw/zinc/79/24/82/418792482.db2.gz MAKIOZWROFGIHG-INIZCTEOSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000371456046 418792485 /nfs/dbraw/zinc/79/24/85/418792485.db2.gz MAKIOZWROFGIHG-INIZCTEOSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000371456046 418792487 /nfs/dbraw/zinc/79/24/87/418792487.db2.gz MAKIOZWROFGIHG-INIZCTEOSA-N 2 2 309.454 1.110 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423581464 420086216 /nfs/dbraw/zinc/08/62/16/420086216.db2.gz ZFNXQJPIOMROAQ-KRWDZBQOSA-N 2 2 300.406 1.105 20 30 DDEDLP C=CCn1cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000490034895 421185831 /nfs/dbraw/zinc/18/58/31/421185831.db2.gz PBZVOKQGJSATSY-UHFFFAOYSA-N 2 2 318.465 1.772 20 30 DDEDLP C=CCn1cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490034895 421185833 /nfs/dbraw/zinc/18/58/33/421185833.db2.gz PBZVOKQGJSATSY-UHFFFAOYSA-N 2 2 318.465 1.772 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[NH2+]1 ZINC000662786363 424767486 /nfs/dbraw/zinc/76/74/86/424767486.db2.gz SMCOXTBZOSOJLG-GOSISDBHSA-N 2 2 314.433 1.424 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000522146936 267339159 /nfs/dbraw/zinc/33/91/59/267339159.db2.gz FWNIFDQDCIXZNR-KRWDZBQOSA-N 2 2 312.417 1.154 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000522146936 267339166 /nfs/dbraw/zinc/33/91/66/267339166.db2.gz FWNIFDQDCIXZNR-KRWDZBQOSA-N 2 2 312.417 1.154 20 30 DDEDLP N#Cc1cnn2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cnc12 ZINC000515846099 268317162 /nfs/dbraw/zinc/31/71/62/268317162.db2.gz DJBMWURYKICBCV-UHFFFAOYSA-N 2 2 307.361 1.704 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262007144 278168607 /nfs/dbraw/zinc/16/86/07/278168607.db2.gz VWEBOAKXBZNSKI-DOMZBBRYSA-N 2 2 306.458 1.502 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262007144 278168609 /nfs/dbraw/zinc/16/86/09/278168609.db2.gz VWEBOAKXBZNSKI-DOMZBBRYSA-N 2 2 306.458 1.502 20 30 DDEDLP C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329204819 290006259 /nfs/dbraw/zinc/00/62/59/290006259.db2.gz DGBWLVJRPDMFRR-ZDUSSCGKSA-N 2 2 319.453 1.657 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246387181 298136113 /nfs/dbraw/zinc/13/61/13/298136113.db2.gz ONWANKPUJJRWIC-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246387181 298136114 /nfs/dbraw/zinc/13/61/14/298136114.db2.gz ONWANKPUJJRWIC-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000573317272 308236824 /nfs/dbraw/zinc/23/68/24/308236824.db2.gz DLDDQMBSWZGLQH-UPJWGTAASA-N 2 2 309.435 1.179 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668370221 485135895 /nfs/dbraw/zinc/13/58/95/485135895.db2.gz QOPUDZKPXYRZDG-HUUCEWRRSA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)[C@H](CO)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711483 486498420 /nfs/dbraw/zinc/49/84/20/486498420.db2.gz ITPNBZZRZCDUHN-ROUUACIJSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711483 486498423 /nfs/dbraw/zinc/49/84/23/486498423.db2.gz ITPNBZZRZCDUHN-ROUUACIJSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711483 486498425 /nfs/dbraw/zinc/49/84/25/486498425.db2.gz ITPNBZZRZCDUHN-ROUUACIJSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711483 486498428 /nfs/dbraw/zinc/49/84/28/486498428.db2.gz ITPNBZZRZCDUHN-ROUUACIJSA-N 2 2 304.434 1.492 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346485195 528851592 /nfs/dbraw/zinc/85/15/92/528851592.db2.gz FVFUWNVOQGCVFO-NVXWUHKLSA-N 2 2 316.405 1.589 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346485195 528851598 /nfs/dbraw/zinc/85/15/98/528851598.db2.gz FVFUWNVOQGCVFO-NVXWUHKLSA-N 2 2 316.405 1.589 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980229034 696713648 /nfs/dbraw/zinc/71/36/48/696713648.db2.gz NHOJFNMWJPEAJT-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980229034 696713650 /nfs/dbraw/zinc/71/36/50/696713650.db2.gz NHOJFNMWJPEAJT-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980276537 696726280 /nfs/dbraw/zinc/72/62/80/696726280.db2.gz XBPUNXFZSMIYGL-XHSDSOJGSA-N 2 2 300.406 1.123 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980276537 696726282 /nfs/dbraw/zinc/72/62/82/696726282.db2.gz XBPUNXFZSMIYGL-XHSDSOJGSA-N 2 2 300.406 1.123 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816960 695101482 /nfs/dbraw/zinc/10/14/82/695101482.db2.gz CHMAKXKTRIJIGS-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816960 695101485 /nfs/dbraw/zinc/10/14/85/695101485.db2.gz CHMAKXKTRIJIGS-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000066941643 696357576 /nfs/dbraw/zinc/35/75/76/696357576.db2.gz QUGPIVWQGLNBQW-UHFFFAOYSA-N 2 2 322.412 1.834 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989493698 698643583 /nfs/dbraw/zinc/64/35/83/698643583.db2.gz VNHCFXZVINTISN-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989608385 698692164 /nfs/dbraw/zinc/69/21/64/698692164.db2.gz IWVGTWOGBOIFLF-CJNGLKHVSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000729336921 699476876 /nfs/dbraw/zinc/47/68/76/699476876.db2.gz BCFYYABRWHGVQW-INIZCTEOSA-N 2 2 316.449 1.759 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000759947022 700784087 /nfs/dbraw/zinc/78/40/87/700784087.db2.gz KXDFIYFRZZTZKY-FGTMMUONSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000759947022 700784090 /nfs/dbraw/zinc/78/40/90/700784090.db2.gz KXDFIYFRZZTZKY-FGTMMUONSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000759947022 700784092 /nfs/dbraw/zinc/78/40/92/700784092.db2.gz KXDFIYFRZZTZKY-FGTMMUONSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000759947022 700784095 /nfs/dbraw/zinc/78/40/95/700784095.db2.gz KXDFIYFRZZTZKY-FGTMMUONSA-N 2 2 311.429 1.646 20 30 DDEDLP C#C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000817274432 702322899 /nfs/dbraw/zinc/32/28/99/702322899.db2.gz DSOWVRGOAKWSFK-MOPGFXCFSA-N 2 2 314.429 1.789 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845626501 703184156 /nfs/dbraw/zinc/18/41/56/703184156.db2.gz VZTFGENIVLCGGR-UKRRQHHQSA-N 2 2 310.442 1.302 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845626501 703184158 /nfs/dbraw/zinc/18/41/58/703184158.db2.gz VZTFGENIVLCGGR-UKRRQHHQSA-N 2 2 310.442 1.302 20 30 DDEDLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000848414621 703547662 /nfs/dbraw/zinc/54/76/62/703547662.db2.gz OEGAGSKXEUNZKI-CYBMUJFWSA-N 2 2 316.396 1.586 20 30 DDEDLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000848414621 703547663 /nfs/dbraw/zinc/54/76/63/703547663.db2.gz OEGAGSKXEUNZKI-CYBMUJFWSA-N 2 2 316.396 1.586 20 30 DDEDLP Cc1ncc(CO)c(/C=N/[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1O ZINC000849170173 703623306 /nfs/dbraw/zinc/62/33/06/703623306.db2.gz LVOZGYXTALODSI-SGPNVBEDSA-N 2 2 322.453 1.279 20 30 DDEDLP Cc1ncc(CO)c(/C=N/[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000849170173 703623307 /nfs/dbraw/zinc/62/33/07/703623307.db2.gz LVOZGYXTALODSI-SGPNVBEDSA-N 2 2 322.453 1.279 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000875248015 705330151 /nfs/dbraw/zinc/33/01/51/705330151.db2.gz MHDHECDFLILJRT-INIZCTEOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000875248015 705330154 /nfs/dbraw/zinc/33/01/54/705330154.db2.gz MHDHECDFLILJRT-INIZCTEOSA-N 2 2 324.469 1.047 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccn3cc[nH+]c3c1)C2 ZINC000884223063 708197734 /nfs/dbraw/zinc/19/77/34/708197734.db2.gz IBVUURQKECTKET-XOYHFGRZSA-N 2 2 309.373 1.090 20 30 DDEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880470 710942640 /nfs/dbraw/zinc/94/26/40/710942640.db2.gz IVBHAPICIGUEGB-KKXDTOCCSA-N 2 2 314.433 1.982 20 30 DDEDLP C#C[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2C#C)COC1 ZINC000934515585 714840015 /nfs/dbraw/zinc/84/00/15/714840015.db2.gz WBWDMSGOTHQQJL-QZTJIDSGSA-N 2 2 300.446 1.978 20 30 DDEDLP C#C[C@@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2C#C)COC1 ZINC000934515585 714840016 /nfs/dbraw/zinc/84/00/16/714840016.db2.gz WBWDMSGOTHQQJL-QZTJIDSGSA-N 2 2 300.446 1.978 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642571 716363543 /nfs/dbraw/zinc/36/35/43/716363543.db2.gz LDVRTLUPJNHESZ-BXUZGUMPSA-N 2 2 310.829 1.542 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960633197 716640601 /nfs/dbraw/zinc/64/06/01/716640601.db2.gz XFXRUJOLJHVOCH-OJLVUWQFSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960633197 716640603 /nfs/dbraw/zinc/64/06/03/716640603.db2.gz XFXRUJOLJHVOCH-OJLVUWQFSA-N 2 2 300.406 1.068 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961229075 716870676 /nfs/dbraw/zinc/87/06/76/716870676.db2.gz HAMNLLWFPLHLIL-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961229075 716870682 /nfs/dbraw/zinc/87/06/82/716870682.db2.gz HAMNLLWFPLHLIL-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256048 716884153 /nfs/dbraw/zinc/88/41/53/716884153.db2.gz QVRMTKDOTHTBGC-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256048 716884157 /nfs/dbraw/zinc/88/41/57/716884157.db2.gz QVRMTKDOTHTBGC-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847624 716989988 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IUKOKUKVURRSRK-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567983 719553105 /nfs/dbraw/zinc/55/31/05/719553105.db2.gz YLACUVLCEGRFCN-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567983 719553108 /nfs/dbraw/zinc/55/31/08/719553108.db2.gz YLACUVLCEGRFCN-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970337977 720718096 /nfs/dbraw/zinc/71/80/96/720718096.db2.gz FWZHNAXIWOPCAY-HIFRSBDPSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)C ZINC001024488453 735866314 /nfs/dbraw/zinc/86/63/14/735866314.db2.gz YWZMYIWPUGRBQM-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)C ZINC001024488453 735866319 /nfs/dbraw/zinc/86/63/19/735866319.db2.gz YWZMYIWPUGRBQM-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(=C)C ZINC001024488453 735866322 /nfs/dbraw/zinc/86/63/22/735866322.db2.gz YWZMYIWPUGRBQM-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(=C)C ZINC001024488453 735866328 /nfs/dbraw/zinc/86/63/28/735866328.db2.gz YWZMYIWPUGRBQM-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020930278 732776881 /nfs/dbraw/zinc/77/68/81/732776881.db2.gz MRUDGFKDLIHYOS-WKILWMFISA-N 2 2 323.400 1.271 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001021087661 732937017 /nfs/dbraw/zinc/93/70/17/732937017.db2.gz FVURFFDVLIAWOE-HDJSIYSDSA-N 2 2 305.447 1.529 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001021087661 732937020 /nfs/dbraw/zinc/93/70/20/732937020.db2.gz FVURFFDVLIAWOE-HDJSIYSDSA-N 2 2 305.447 1.529 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753883 733514554 /nfs/dbraw/zinc/51/45/54/733514554.db2.gz JDAPGFQHNPABFC-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753883 733514556 /nfs/dbraw/zinc/51/45/56/733514556.db2.gz JDAPGFQHNPABFC-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024515839 735893528 /nfs/dbraw/zinc/89/35/28/735893528.db2.gz CWZIXSXIPVXZDH-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024515839 735893532 /nfs/dbraw/zinc/89/35/32/735893532.db2.gz CWZIXSXIPVXZDH-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024517328 735895782 /nfs/dbraw/zinc/89/57/82/735895782.db2.gz SQKIVMPKVKBEEW-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024517328 735895787 /nfs/dbraw/zinc/89/57/87/735895787.db2.gz SQKIVMPKVKBEEW-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980056 738903607 /nfs/dbraw/zinc/90/36/07/738903607.db2.gz LBFVBGBPFBZVGL-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980056 738903609 /nfs/dbraw/zinc/90/36/09/738903609.db2.gz LBFVBGBPFBZVGL-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699324 736748478 /nfs/dbraw/zinc/74/84/78/736748478.db2.gz MRJHMWFMMGFXBU-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699324 736748484 /nfs/dbraw/zinc/74/84/84/736748484.db2.gz MRJHMWFMMGFXBU-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699324 736748487 /nfs/dbraw/zinc/74/84/87/736748487.db2.gz MRJHMWFMMGFXBU-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699324 736748491 /nfs/dbraw/zinc/74/84/91/736748491.db2.gz MRJHMWFMMGFXBU-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001149135342 736792788 /nfs/dbraw/zinc/79/27/88/736792788.db2.gz WVAFATZMILDDQX-UHFFFAOYSA-N 2 2 315.352 1.177 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001027245984 738126177 /nfs/dbraw/zinc/12/61/77/738126177.db2.gz LJVYQDSVGCHLIF-QGZVFWFLSA-N 2 2 323.400 1.393 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027471409 738324654 /nfs/dbraw/zinc/32/46/54/738324654.db2.gz SGQVIITWMVLMQD-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027471409 738324658 /nfs/dbraw/zinc/32/46/58/738324658.db2.gz SGQVIITWMVLMQD-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231144 739201090 /nfs/dbraw/zinc/20/10/90/739201090.db2.gz YGBIMDFVNXSKQC-MRXNPFEDSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231144 739201097 /nfs/dbraw/zinc/20/10/97/739201097.db2.gz YGBIMDFVNXSKQC-MRXNPFEDSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039284 751482556 /nfs/dbraw/zinc/48/25/56/751482556.db2.gz DXGWMPUSEWLXTQ-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000998039284 751482558 /nfs/dbraw/zinc/48/25/58/751482558.db2.gz DXGWMPUSEWLXTQ-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811035 740070781 /nfs/dbraw/zinc/07/07/81/740070781.db2.gz GPSJHKJRFGJCCJ-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811035 740070785 /nfs/dbraw/zinc/07/07/85/740070785.db2.gz GPSJHKJRFGJCCJ-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121494029 782534281 /nfs/dbraw/zinc/53/42/81/782534281.db2.gz JTDQUSXXBKYQFB-UHFFFAOYSA-N 2 2 302.422 1.866 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721023 740720825 /nfs/dbraw/zinc/72/08/25/740720825.db2.gz XUONLXRBUMODEQ-VNHYZAJKSA-N 2 2 300.406 1.432 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721023 740720827 /nfs/dbraw/zinc/72/08/27/740720827.db2.gz XUONLXRBUMODEQ-VNHYZAJKSA-N 2 2 300.406 1.432 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950357 740878757 /nfs/dbraw/zinc/87/87/57/740878757.db2.gz OKTWWAWCMAYGRW-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950357 740878760 /nfs/dbraw/zinc/87/87/60/740878760.db2.gz OKTWWAWCMAYGRW-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039633 740962695 /nfs/dbraw/zinc/96/26/95/740962695.db2.gz ZOSXUBYLPAOBNJ-CVEARBPZSA-N 2 2 322.412 1.752 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039633 740962697 /nfs/dbraw/zinc/96/26/97/740962697.db2.gz ZOSXUBYLPAOBNJ-CVEARBPZSA-N 2 2 322.412 1.752 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035574212 751629441 /nfs/dbraw/zinc/62/94/41/751629441.db2.gz QJRIOEBFTOIVQG-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035574212 751629443 /nfs/dbraw/zinc/62/94/43/751629443.db2.gz QJRIOEBFTOIVQG-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035574212 751629447 /nfs/dbraw/zinc/62/94/47/751629447.db2.gz QJRIOEBFTOIVQG-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035574212 751629450 /nfs/dbraw/zinc/62/94/50/751629450.db2.gz QJRIOEBFTOIVQG-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272705 743997387 /nfs/dbraw/zinc/99/73/87/743997387.db2.gz HJOXNOYKLOTSQT-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492229 744044464 /nfs/dbraw/zinc/04/44/64/744044464.db2.gz NONXZPHQFNNVRX-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185786811 744285686 /nfs/dbraw/zinc/28/56/86/744285686.db2.gz BGVULQFVTXUEGW-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000992085564 744590279 /nfs/dbraw/zinc/59/02/79/744590279.db2.gz PBZAAJWFYJPLDR-FMKPAKJESA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000992085564 744590282 /nfs/dbraw/zinc/59/02/82/744590282.db2.gz PBZAAJWFYJPLDR-FMKPAKJESA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992085564 744590283 /nfs/dbraw/zinc/59/02/83/744590283.db2.gz PBZAAJWFYJPLDR-FMKPAKJESA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992085564 744590285 /nfs/dbraw/zinc/59/02/85/744590285.db2.gz PBZAAJWFYJPLDR-FMKPAKJESA-N 2 2 311.857 1.946 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992217142 744700429 /nfs/dbraw/zinc/70/04/29/744700429.db2.gz JAJMBTBFGYVDLS-SZXPJGKVSA-N 2 2 314.433 1.823 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992217142 744700430 /nfs/dbraw/zinc/70/04/30/744700430.db2.gz JAJMBTBFGYVDLS-SZXPJGKVSA-N 2 2 314.433 1.823 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000992870780 745260776 /nfs/dbraw/zinc/26/07/76/745260776.db2.gz IPPMDUCCMIUISI-HYVNUMGLSA-N 2 2 316.449 1.755 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009699 745402780 /nfs/dbraw/zinc/40/27/80/745402780.db2.gz HYJFEWPDOICJAM-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009699 745402782 /nfs/dbraw/zinc/40/27/82/745402782.db2.gz HYJFEWPDOICJAM-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011242 745403778 /nfs/dbraw/zinc/40/37/78/745403778.db2.gz SFHPAEIZDRGQJX-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011242 745403781 /nfs/dbraw/zinc/40/37/81/745403781.db2.gz SFHPAEIZDRGQJX-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875842 748093119 /nfs/dbraw/zinc/09/31/19/748093119.db2.gz CPFKSCCLLXLFRO-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875842 748093122 /nfs/dbraw/zinc/09/31/22/748093122.db2.gz CPFKSCCLLXLFRO-QGZVFWFLSA-N 2 2 321.465 1.111 20 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C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042124445 763678331 /nfs/dbraw/zinc/67/83/31/763678331.db2.gz GHPBNIOPSRYOJF-CZUORRHYSA-N 2 2 318.421 1.459 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001050912571 764267766 /nfs/dbraw/zinc/26/77/66/764267766.db2.gz FNLFYHGYPDLVFP-IAGOWNOFSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001050912571 764267770 /nfs/dbraw/zinc/26/77/70/764267770.db2.gz FNLFYHGYPDLVFP-IAGOWNOFSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050912571 764267772 /nfs/dbraw/zinc/26/77/72/764267772.db2.gz FNLFYHGYPDLVFP-IAGOWNOFSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050912571 764267775 /nfs/dbraw/zinc/26/77/75/764267775.db2.gz FNLFYHGYPDLVFP-IAGOWNOFSA-N 2 2 323.481 1.642 20 30 DDEDLP CC#CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156603 765347746 /nfs/dbraw/zinc/34/77/46/765347746.db2.gz NTWJIZAQEHRTMS-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP CC#CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156603 765347753 /nfs/dbraw/zinc/34/77/53/765347753.db2.gz NTWJIZAQEHRTMS-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001113357718 765608562 /nfs/dbraw/zinc/60/85/62/765608562.db2.gz QKZIRGZYEUNWOH-HUUCEWRRSA-N 2 2 302.422 1.634 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001044694878 765756770 /nfs/dbraw/zinc/75/67/70/765756770.db2.gz TVBDHRGSVLARAU-UONOGXRCSA-N 2 2 310.829 1.995 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052488140 765879555 /nfs/dbraw/zinc/87/95/55/765879555.db2.gz FZKYDYYLYPQWDC-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052488140 765879559 /nfs/dbraw/zinc/87/95/59/765879559.db2.gz FZKYDYYLYPQWDC-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052502259 765892961 /nfs/dbraw/zinc/89/29/61/765892961.db2.gz BXISDBGYHHNUCR-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052502259 765892964 /nfs/dbraw/zinc/89/29/64/765892964.db2.gz BXISDBGYHHNUCR-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501439 766038799 /nfs/dbraw/zinc/03/87/99/766038799.db2.gz DMGDWPGCTPPNLS-JJXSEGSLSA-N 2 2 302.422 1.959 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501439 766038806 /nfs/dbraw/zinc/03/88/06/766038806.db2.gz DMGDWPGCTPPNLS-JJXSEGSLSA-N 2 2 302.422 1.959 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001045254807 766187085 /nfs/dbraw/zinc/18/70/85/766187085.db2.gz KQEBVQKDDDLRLE-INIZCTEOSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(F)c1F ZINC001129771224 766999553 /nfs/dbraw/zinc/99/95/53/766999553.db2.gz UDDLMUYPLJEFEO-HNNXBMFYSA-N 2 2 321.371 1.268 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(F)c1F ZINC001129771224 766999560 /nfs/dbraw/zinc/99/95/60/766999560.db2.gz UDDLMUYPLJEFEO-HNNXBMFYSA-N 2 2 321.371 1.268 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434231 767559474 /nfs/dbraw/zinc/55/94/74/767559474.db2.gz KQIJIGKPYGDRAR-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434231 767559481 /nfs/dbraw/zinc/55/94/81/767559481.db2.gz KQIJIGKPYGDRAR-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426053 768841858 /nfs/dbraw/zinc/84/18/58/768841858.db2.gz RHDLKQDORXVECP-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426053 768841869 /nfs/dbraw/zinc/84/18/69/768841869.db2.gz RHDLKQDORXVECP-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132779686 769188175 /nfs/dbraw/zinc/18/81/75/769188175.db2.gz IGZMKLOOBUZPKX-CQSZACIVSA-N 2 2 315.845 1.088 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132779686 769188180 /nfs/dbraw/zinc/18/81/80/769188180.db2.gz IGZMKLOOBUZPKX-CQSZACIVSA-N 2 2 315.845 1.088 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919375 769321165 /nfs/dbraw/zinc/32/11/65/769321165.db2.gz JFPQSGSMZNXULL-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241205 769618566 /nfs/dbraw/zinc/61/85/66/769618566.db2.gz FSVYRXKEXYZYSR-GJZGRUSLSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071775891 770047812 /nfs/dbraw/zinc/04/78/12/770047812.db2.gz JOIDKPAEFNWIOF-DZGCQCFKSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071775891 770047826 /nfs/dbraw/zinc/04/78/26/770047826.db2.gz JOIDKPAEFNWIOF-DZGCQCFKSA-N 2 2 303.406 1.557 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000633 770415377 /nfs/dbraw/zinc/41/53/77/770415377.db2.gz XUVLAEIOOKNCST-HUUCEWRRSA-N 2 2 314.433 1.754 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000633 770415381 /nfs/dbraw/zinc/41/53/81/770415381.db2.gz XUVLAEIOOKNCST-HUUCEWRRSA-N 2 2 314.433 1.754 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449125 770850736 /nfs/dbraw/zinc/85/07/36/770850736.db2.gz XCZWQNOFAHJBTA-LSDHHAIUSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449125 770850745 /nfs/dbraw/zinc/85/07/45/770850745.db2.gz XCZWQNOFAHJBTA-LSDHHAIUSA-N 2 2 300.406 1.431 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612350 771018901 /nfs/dbraw/zinc/01/89/01/771018901.db2.gz MOJWDJBARXYYAP-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612350 771018909 /nfs/dbraw/zinc/01/89/09/771018909.db2.gz MOJWDJBARXYYAP-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627247 771031179 /nfs/dbraw/zinc/03/11/79/771031179.db2.gz VRKZAXOFEIBTTM-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627247 771031182 /nfs/dbraw/zinc/03/11/82/771031182.db2.gz VRKZAXOFEIBTTM-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750566 771131790 /nfs/dbraw/zinc/13/17/90/771131790.db2.gz MBNWVKSHLPAAGN-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750566 771131794 /nfs/dbraw/zinc/13/17/94/771131794.db2.gz MBNWVKSHLPAAGN-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049851297 771208171 /nfs/dbraw/zinc/20/81/71/771208171.db2.gz WTABFEHCRVBFRF-SJORKVTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049851297 771208173 /nfs/dbraw/zinc/20/81/73/771208173.db2.gz WTABFEHCRVBFRF-SJORKVTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135314080 771443272 /nfs/dbraw/zinc/44/32/72/771443272.db2.gz ZZZGKVBJSFIRRQ-UHFFFAOYSA-N 2 2 316.405 1.094 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737828 771550072 /nfs/dbraw/zinc/55/00/72/771550072.db2.gz YRLUEZFNBIXCMZ-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086806832 771792750 /nfs/dbraw/zinc/79/27/50/771792750.db2.gz QUBLYRCPVXEBDV-GBJTYRQASA-N 2 2 300.406 1.031 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994555 772043014 /nfs/dbraw/zinc/04/30/14/772043014.db2.gz HSDYQHHGLKJYST-UHFFFAOYSA-N 2 2 313.405 1.943 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(NC(C)=O)cc[nH+]1 ZINC001171067761 772221787 /nfs/dbraw/zinc/22/17/87/772221787.db2.gz BNYGEWQNWHFSQS-AWEZNQCLSA-N 2 2 320.393 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647985 773263962 /nfs/dbraw/zinc/26/39/62/773263962.db2.gz RKQKBSIFIQZBSX-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647985 773263967 /nfs/dbraw/zinc/26/39/67/773263967.db2.gz RKQKBSIFIQZBSX-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734163 774426542 /nfs/dbraw/zinc/42/65/42/774426542.db2.gz NMESCKXGIBCBMO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734163 774426546 /nfs/dbraw/zinc/42/65/46/774426546.db2.gz NMESCKXGIBCBMO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734163 774426550 /nfs/dbraw/zinc/42/65/50/774426550.db2.gz NMESCKXGIBCBMO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734163 774426554 /nfs/dbraw/zinc/42/65/54/774426554.db2.gz NMESCKXGIBCBMO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036747139 774468216 /nfs/dbraw/zinc/46/82/16/774468216.db2.gz FHENHPUPJFCRJD-GDBMZVCRSA-N 2 2 313.401 1.189 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036747139 774468220 /nfs/dbraw/zinc/46/82/20/774468220.db2.gz FHENHPUPJFCRJD-GDBMZVCRSA-N 2 2 313.401 1.189 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001099244252 774915235 /nfs/dbraw/zinc/91/52/35/774915235.db2.gz DOJDQJNFNGVTRQ-GHMZBOCLSA-N 2 2 316.327 1.507 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310408 774942036 /nfs/dbraw/zinc/94/20/36/774942036.db2.gz LFYFILIJJHPJJA-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310408 774942039 /nfs/dbraw/zinc/94/20/39/774942039.db2.gz LFYFILIJJHPJJA-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036880352 775941745 /nfs/dbraw/zinc/94/17/45/775941745.db2.gz CQZIGXBXNWJNSS-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036880352 775941755 /nfs/dbraw/zinc/94/17/55/775941755.db2.gz CQZIGXBXNWJNSS-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293266 775951095 /nfs/dbraw/zinc/95/10/95/775951095.db2.gz MKXSNRFCHFWUEZ-UHFFFAOYSA-N 2 2 306.410 1.029 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001094947060 776880904 /nfs/dbraw/zinc/88/09/04/776880904.db2.gz YGUJNFNMTJUOCS-XHSDSOJGSA-N 2 2 314.433 1.529 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456095 778150119 /nfs/dbraw/zinc/15/01/19/778150119.db2.gz IWICCDGKWUYDFF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456095 778150124 /nfs/dbraw/zinc/15/01/24/778150124.db2.gz IWICCDGKWUYDFF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456095 778150131 /nfs/dbraw/zinc/15/01/31/778150131.db2.gz IWICCDGKWUYDFF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456095 778150136 /nfs/dbraw/zinc/15/01/36/778150136.db2.gz IWICCDGKWUYDFF-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810681 778252125 /nfs/dbraw/zinc/25/21/25/778252125.db2.gz NDRFSIFWQTZHFW-INIZCTEOSA-N 2 2 304.438 1.951 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]21 ZINC001177041435 778404279 /nfs/dbraw/zinc/40/42/79/778404279.db2.gz HPBMYRVCBBTKPD-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]21 ZINC001177041435 778404286 /nfs/dbraw/zinc/40/42/86/778404286.db2.gz HPBMYRVCBBTKPD-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177041435 778404289 /nfs/dbraw/zinc/40/42/89/778404289.db2.gz HPBMYRVCBBTKPD-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177041435 778404292 /nfs/dbraw/zinc/40/42/92/778404292.db2.gz HPBMYRVCBBTKPD-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP N#Cc1ccc(F)cc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400029 778576810 /nfs/dbraw/zinc/57/68/10/778576810.db2.gz BEHNCZPMPCJHDD-UHFFFAOYSA-N 2 2 315.352 1.190 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019623 779248009 /nfs/dbraw/zinc/24/80/09/779248009.db2.gz YHQALBREVCNQKZ-XHSDSOJGSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019107 779248161 /nfs/dbraw/zinc/24/81/61/779248161.db2.gz QXYXYRPDQGZPEE-ZNMIVQPWSA-N 2 2 302.422 1.601 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773954 779475105 /nfs/dbraw/zinc/47/51/05/779475105.db2.gz XHKSLNOFQHCUDW-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773954 779475109 /nfs/dbraw/zinc/47/51/09/779475109.db2.gz XHKSLNOFQHCUDW-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773954 779475112 /nfs/dbraw/zinc/47/51/12/779475112.db2.gz XHKSLNOFQHCUDW-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773954 779475117 /nfs/dbraw/zinc/47/51/17/779475117.db2.gz XHKSLNOFQHCUDW-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP CN1CCC(=[NH+]NC(=S)NCCC[NH+](C)C)c2ccccc21 ZINC001117133107 780669960 /nfs/dbraw/zinc/66/99/60/780669960.db2.gz ZZWGHSJTLGDRTH-UHFFFAOYSA-N 2 2 319.478 1.646 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296385 837771553 /nfs/dbraw/zinc/77/15/53/837771553.db2.gz MOEDGJXNTBDIKQ-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267296385 837771560 /nfs/dbraw/zinc/77/15/60/837771560.db2.gz MOEDGJXNTBDIKQ-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001266498776 836352932 /nfs/dbraw/zinc/35/29/32/836352932.db2.gz DCNKAVQKECSFHE-GASCZTMLSA-N 2 2 302.422 1.902 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001266498776 836352945 /nfs/dbraw/zinc/35/29/45/836352945.db2.gz DCNKAVQKECSFHE-GASCZTMLSA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600542 836520030 /nfs/dbraw/zinc/52/00/30/836520030.db2.gz YHHAULAMVLGVJD-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600542 836520034 /nfs/dbraw/zinc/52/00/34/836520034.db2.gz YHHAULAMVLGVJD-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266793582 836844858 /nfs/dbraw/zinc/84/48/58/836844858.db2.gz QIJFEFVLMKSBKR-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766469 838911127 /nfs/dbraw/zinc/91/11/27/838911127.db2.gz JCMADJXWHBGDPI-JKSUJKDBSA-N 2 2 302.422 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766469 838911136 /nfs/dbraw/zinc/91/11/36/838911136.db2.gz JCMADJXWHBGDPI-JKSUJKDBSA-N 2 2 302.422 1.636 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267790210 838980704 /nfs/dbraw/zinc/98/07/04/838980704.db2.gz NZZVQFGGRWTLBK-HNNXBMFYSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267790210 838980707 /nfs/dbraw/zinc/98/07/07/838980707.db2.gz NZZVQFGGRWTLBK-HNNXBMFYSA-N 2 2 320.437 1.386 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267896141 839149682 /nfs/dbraw/zinc/14/96/82/839149682.db2.gz AKRFULNKWAKDMQ-HZPDHXFCSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267896141 839149690 /nfs/dbraw/zinc/14/96/90/839149690.db2.gz AKRFULNKWAKDMQ-HZPDHXFCSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269622324 841838265 /nfs/dbraw/zinc/83/82/65/841838265.db2.gz GJZFXLZGQQHBAR-WMZOPIPTSA-N 2 2 316.449 1.978 20 30 DDEDLP C#CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001269677407 841926493 /nfs/dbraw/zinc/92/64/93/841926493.db2.gz RILCQVOURDQBHM-CRAIPNDOSA-N 2 2 316.449 1.641 20 30 DDEDLP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001269892021 842136018 /nfs/dbraw/zinc/13/60/18/842136018.db2.gz BYXHEXSMAWOWJK-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001269892021 842136022 /nfs/dbraw/zinc/13/60/22/842136022.db2.gz BYXHEXSMAWOWJK-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599497 842707587 /nfs/dbraw/zinc/70/75/87/842707587.db2.gz HTKQOJUYNLHTEB-YJBOKZPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599497 842707598 /nfs/dbraw/zinc/70/75/98/842707598.db2.gz HTKQOJUYNLHTEB-YJBOKZPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001272999753 847762719 /nfs/dbraw/zinc/76/27/19/847762719.db2.gz QBOIUSAMNMSETE-JKSUJKDBSA-N 2 2 302.422 1.828 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279435 848241219 /nfs/dbraw/zinc/24/12/19/848241219.db2.gz RZMXPLSJHZZDAV-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279435 848241230 /nfs/dbraw/zinc/24/12/30/848241230.db2.gz RZMXPLSJHZZDAV-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP Cc1c[nH+]c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c(/C=N/O)c1 ZINC001155599748 862276610 /nfs/dbraw/zinc/27/66/10/862276610.db2.gz SKADFBFLTVBIRX-OZHDABILSA-N 2 2 304.394 1.769 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001274040892 851881507 /nfs/dbraw/zinc/88/15/07/851881507.db2.gz WMNPLDOPSLTVIS-INIZCTEOSA-N 2 2 301.394 1.148 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001274040892 851881513 /nfs/dbraw/zinc/88/15/13/851881513.db2.gz WMNPLDOPSLTVIS-INIZCTEOSA-N 2 2 301.394 1.148 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001280607863 852938711 /nfs/dbraw/zinc/93/87/11/852938711.db2.gz ADXLERNLNVQRQG-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972313 857953722 /nfs/dbraw/zinc/95/37/22/857953722.db2.gz VDCKWFDHTHBFOG-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972313 857953724 /nfs/dbraw/zinc/95/37/24/857953724.db2.gz VDCKWFDHTHBFOG-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001276996491 881532002 /nfs/dbraw/zinc/53/20/02/881532002.db2.gz XTBNIEFRCLJINB-JYJNAYRXSA-N 2 2 302.422 1.588 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001381433189 881757491 /nfs/dbraw/zinc/75/74/91/881757491.db2.gz HXAOWWOXDVPXSZ-ZJUUUORDSA-N 2 2 315.215 1.344 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543748 865925240 /nfs/dbraw/zinc/92/52/40/865925240.db2.gz DHKQGUXEGUEPJI-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543748 865925251 /nfs/dbraw/zinc/92/52/51/865925251.db2.gz DHKQGUXEGUEPJI-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001321335068 867501339 /nfs/dbraw/zinc/50/13/39/867501339.db2.gz FVRQFMKNGNNISK-IHWYPQMZSA-N 2 2 323.400 1.296 20 30 DDEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162971034 867959962 /nfs/dbraw/zinc/95/99/62/867959962.db2.gz TZWYDNFDFBGNBA-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163284296 868309875 /nfs/dbraw/zinc/30/98/75/868309875.db2.gz YZJFFYPHIQJEGK-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163284296 868309894 /nfs/dbraw/zinc/30/98/94/868309894.db2.gz YZJFFYPHIQJEGK-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381608796 882312020 /nfs/dbraw/zinc/31/20/20/882312020.db2.gz ZRWFUZQVOQXABB-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317194952 870449861 /nfs/dbraw/zinc/44/98/61/870449861.db2.gz LVGKHBRCYVOEEW-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001317196775 870451460 /nfs/dbraw/zinc/45/14/60/870451460.db2.gz GEMMXLQPIDOFFG-INIZCTEOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203545287 870630494 /nfs/dbraw/zinc/63/04/94/870630494.db2.gz UANHZJSEDSGFQD-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605635 870668646 /nfs/dbraw/zinc/66/86/46/870668646.db2.gz LCRIWJIPELAARR-CABCVRRESA-N 2 2 302.422 1.556 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679777 870708219 /nfs/dbraw/zinc/70/82/19/870708219.db2.gz ZLBOQXNHOQXZLD-CABCVRRESA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553581 871059111 /nfs/dbraw/zinc/05/91/11/871059111.db2.gz NUIQCLOFTPJWIT-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553581 871059132 /nfs/dbraw/zinc/05/91/32/871059132.db2.gz NUIQCLOFTPJWIT-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001316704849 871904173 /nfs/dbraw/zinc/90/41/73/871904173.db2.gz ZHLSDUSMYIJIRZ-INMHGKMJSA-N 2 2 316.449 1.828 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001316704849 871904183 /nfs/dbraw/zinc/90/41/83/871904183.db2.gz ZHLSDUSMYIJIRZ-INMHGKMJSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318338736 871944660 /nfs/dbraw/zinc/94/46/60/871944660.db2.gz ZSTAMOVWBQBBKV-CVEARBPZSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318338736 871944666 /nfs/dbraw/zinc/94/46/66/871944666.db2.gz ZSTAMOVWBQBBKV-CVEARBPZSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318442460 872048117 /nfs/dbraw/zinc/04/81/17/872048117.db2.gz LVNWEQVHIYPHOI-AWEZNQCLSA-N 2 2 320.437 1.423 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001318442460 872048140 /nfs/dbraw/zinc/04/81/40/872048140.db2.gz LVNWEQVHIYPHOI-AWEZNQCLSA-N 2 2 320.437 1.423 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001318760613 872254333 /nfs/dbraw/zinc/25/43/33/872254333.db2.gz SPRPAOQWWAHZSF-WBVHZDCISA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001318760604 872254458 /nfs/dbraw/zinc/25/44/58/872254458.db2.gz SPRPAOQWWAHZSF-DOTOQJQBSA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533435 872418180 /nfs/dbraw/zinc/41/81/80/872418180.db2.gz IPNHKZUWDHVZGQ-AWEZNQCLSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533435 872418192 /nfs/dbraw/zinc/41/81/92/872418192.db2.gz IPNHKZUWDHVZGQ-AWEZNQCLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446949 874147820 /nfs/dbraw/zinc/14/78/20/874147820.db2.gz DNSYKXXTMMIXIS-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450269 874150154 /nfs/dbraw/zinc/15/01/54/874150154.db2.gz CIYSPESAAQZXMT-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccc(-c2csc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])n2)s1 ZINC001218787562 877727793 /nfs/dbraw/zinc/72/77/93/877727793.db2.gz GZJFIODFMQCLDZ-IUCAKERBSA-N 2 2 319.415 1.228 20 30 DDEDLP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185683 878794276 /nfs/dbraw/zinc/79/42/76/878794276.db2.gz IZLMGNVBLARTDI-OLZOCXBDSA-N 2 2 303.397 1.811 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220663658 879168159 /nfs/dbraw/zinc/16/81/59/879168159.db2.gz KDBNAUAVKKQIOB-SWLSCSKDSA-N 2 2 314.389 1.722 20 30 DDEDLP C#CCC[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001277417651 884149558 /nfs/dbraw/zinc/14/95/58/884149558.db2.gz RCGJNZANCJPJHF-UHFFFAOYSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001277417651 884149572 /nfs/dbraw/zinc/14/95/72/884149572.db2.gz RCGJNZANCJPJHF-UHFFFAOYSA-N 2 2 302.422 1.299 20 30 DDEDLP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230611499 884650611 /nfs/dbraw/zinc/65/06/11/884650611.db2.gz SWNACUSXGSYROK-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cscn1 ZINC001277844725 887829136 /nfs/dbraw/zinc/82/91/36/887829136.db2.gz IPFKZAYULZGERX-HIFRSBDPSA-N 2 2 320.462 1.177 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cscn1 ZINC001277844725 887829149 /nfs/dbraw/zinc/82/91/49/887829149.db2.gz IPFKZAYULZGERX-HIFRSBDPSA-N 2 2 320.462 1.177 20 30 DDEDLP C=CCn1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cn1 ZINC001236039753 889071932 /nfs/dbraw/zinc/07/19/32/889071932.db2.gz YZNINOQZYVJDJE-NVXWUHKLSA-N 2 2 318.421 1.044 20 30 DDEDLP C=CCn1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cn1 ZINC001236039753 889071948 /nfs/dbraw/zinc/07/19/48/889071948.db2.gz YZNINOQZYVJDJE-NVXWUHKLSA-N 2 2 318.421 1.044 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC001278289166 890521418 /nfs/dbraw/zinc/52/14/18/890521418.db2.gz OZXDOZDHLKKLLD-QGZVFWFLSA-N 2 2 316.449 1.641 20 30 DDEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151244 892446532 /nfs/dbraw/zinc/44/65/32/892446532.db2.gz WTVCDNIUMCIDER-MAUKXSAKSA-N 3 2 312.461 1.953 20 30 DDEDLP C#CC[C@@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247609580 893251078 /nfs/dbraw/zinc/25/10/78/893251078.db2.gz KQTVLKPYMFEYOZ-CQSZACIVSA-N 2 2 311.389 1.512 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001278572257 894300256 /nfs/dbraw/zinc/30/02/56/894300256.db2.gz MIDVPMZWJRJLTK-KRWDZBQOSA-N 2 2 302.422 1.539 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001367379159 896607933 /nfs/dbraw/zinc/60/79/33/896607933.db2.gz LESQYTJNBOZCTG-JHJVBQTASA-N 2 2 310.829 1.713 20 30 DDEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001264191761 901011865 /nfs/dbraw/zinc/01/18/65/901011865.db2.gz XQGMINAHGHXDCS-UHFFFAOYSA-N 2 2 320.462 1.091 20 30 DDEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001264191761 901011876 /nfs/dbraw/zinc/01/18/76/901011876.db2.gz XQGMINAHGHXDCS-UHFFFAOYSA-N 2 2 320.462 1.091 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001264494031 901147843 /nfs/dbraw/zinc/14/78/43/901147843.db2.gz JMMOVKFZJANKOY-JKSUJKDBSA-N 2 2 302.422 1.561 20 30 DDEDLP C=CC[N@@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001264665059 901262323 /nfs/dbraw/zinc/26/23/23/901262323.db2.gz SATHQGFCMDBBCR-UHFFFAOYSA-N 2 2 316.405 1.769 20 30 DDEDLP C=CC[N@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001264665059 901262339 /nfs/dbraw/zinc/26/23/39/901262339.db2.gz SATHQGFCMDBBCR-UHFFFAOYSA-N 2 2 316.405 1.769 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265593404 902175022 /nfs/dbraw/zinc/17/50/22/902175022.db2.gz WDZRFDARSVBSQV-CVEARBPZSA-N 2 2 302.422 1.686 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265593404 902175028 /nfs/dbraw/zinc/17/50/28/902175028.db2.gz WDZRFDARSVBSQV-CVEARBPZSA-N 2 2 302.422 1.686 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266145283 903018351 /nfs/dbraw/zinc/01/83/51/903018351.db2.gz OZWIVMZISDKASF-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266145283 903018367 /nfs/dbraw/zinc/01/83/67/903018367.db2.gz OZWIVMZISDKASF-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225518 903148084 /nfs/dbraw/zinc/14/80/84/903148084.db2.gz OUNMTRIZTWFUAO-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225518 903148093 /nfs/dbraw/zinc/14/80/93/903148093.db2.gz OUNMTRIZTWFUAO-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280621315 903849643 /nfs/dbraw/zinc/84/96/43/903849643.db2.gz QMYKGFAKBSUPCP-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001282545363 905862977 /nfs/dbraw/zinc/86/29/77/905862977.db2.gz PLRZWXCYMNSNEG-MRXNPFEDSA-N 2 2 323.481 1.236 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC001284045143 908378835 /nfs/dbraw/zinc/37/88/35/908378835.db2.gz MVAURLXAFNLDLX-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC001284045143 908378847 /nfs/dbraw/zinc/37/88/47/908378847.db2.gz MVAURLXAFNLDLX-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC001284045143 908378859 /nfs/dbraw/zinc/37/88/59/908378859.db2.gz MVAURLXAFNLDLX-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC001284045143 908378872 /nfs/dbraw/zinc/37/88/72/908378872.db2.gz MVAURLXAFNLDLX-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000591664621 355356591 /nfs/dbraw/zinc/35/65/91/355356591.db2.gz LTHDJOMGHOKFIO-UAGQMJEPSA-N 2 2 303.381 1.775 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000591664621 355356597 /nfs/dbraw/zinc/35/65/97/355356597.db2.gz LTHDJOMGHOKFIO-UAGQMJEPSA-N 2 2 303.381 1.775 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000592069010 355482634 /nfs/dbraw/zinc/48/26/34/355482634.db2.gz CZRHDRKZXVJWKO-UHFFFAOYSA-N 2 2 312.377 1.043 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594441416 356216383 /nfs/dbraw/zinc/21/63/83/356216383.db2.gz RQPUJCVLZPNEDI-OAHLLOKOSA-N 2 2 315.421 1.578 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496808 356237224 /nfs/dbraw/zinc/23/72/24/356237224.db2.gz WGSHBLPVYKYCNF-UHFFFAOYSA-N 2 2 314.433 1.351 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867517 356685172 /nfs/dbraw/zinc/68/51/72/356685172.db2.gz NQFZNDSSNAMHSB-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867517 356685175 /nfs/dbraw/zinc/68/51/75/356685175.db2.gz NQFZNDSSNAMHSB-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC000329707124 223016064 /nfs/dbraw/zinc/01/60/64/223016064.db2.gz LHQSLKFGSHMXKR-ZFWWWQNUSA-N 2 2 317.437 1.774 20 30 DDEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000329707124 223016066 /nfs/dbraw/zinc/01/60/66/223016066.db2.gz LHQSLKFGSHMXKR-ZFWWWQNUSA-N 2 2 317.437 1.774 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC(C)(C)C#N)c2)CC1 ZINC000601802374 358699739 /nfs/dbraw/zinc/69/97/39/358699739.db2.gz BEUBZWAPUSDZND-UHFFFAOYSA-N 2 2 301.394 1.712 20 30 DDEDLP C=CCCOCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876271 360060052 /nfs/dbraw/zinc/06/00/52/360060052.db2.gz IXUCLNLHHBRSOA-UHFFFAOYSA-N 2 2 323.481 1.646 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccnc(C#N)c1 ZINC000610995492 360594807 /nfs/dbraw/zinc/59/48/07/360594807.db2.gz IQRZHQCLVKFKGR-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccnc(C#N)c1 ZINC000610995492 360594813 /nfs/dbraw/zinc/59/48/13/360594813.db2.gz IQRZHQCLVKFKGR-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000613255849 361351915 /nfs/dbraw/zinc/35/19/15/361351915.db2.gz PVJJIZKJMDHVMU-ILXRZTDVSA-N 2 2 315.421 1.583 20 30 DDEDLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271852835 209268764 /nfs/dbraw/zinc/26/87/64/209268764.db2.gz IWXIKQUQLPCILH-CQSZACIVSA-N 2 2 314.433 1.637 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000195144085 201348213 /nfs/dbraw/zinc/34/82/13/201348213.db2.gz OLLSHQVENKSRQM-QGZVFWFLSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000195144085 201348216 /nfs/dbraw/zinc/34/82/16/201348216.db2.gz OLLSHQVENKSRQM-QGZVFWFLSA-N 2 2 312.417 1.297 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043170 204361588 /nfs/dbraw/zinc/36/15/88/204361588.db2.gz NTMYGTTUOAVRJC-NVXWUHKLSA-N 2 2 312.417 1.547 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043170 204361592 /nfs/dbraw/zinc/36/15/92/204361592.db2.gz NTMYGTTUOAVRJC-NVXWUHKLSA-N 2 2 312.417 1.547 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000124019261 407345263 /nfs/dbraw/zinc/34/52/63/407345263.db2.gz RXSANWOFLKLCTF-NVXWUHKLSA-N 2 2 314.433 1.638 20 30 DDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000271037389 407481183 /nfs/dbraw/zinc/48/11/83/407481183.db2.gz MEOOBERMUIMPGS-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000115543984 407689895 /nfs/dbraw/zinc/68/98/95/407689895.db2.gz RGXMLWQSCNFQLL-MRXNPFEDSA-N 2 2 309.373 1.618 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)CCc1cccs1 ZINC000153534323 407844379 /nfs/dbraw/zinc/84/43/79/407844379.db2.gz BUGPPZPEOMYKHI-CYBMUJFWSA-N 2 2 310.467 1.128 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)CCc1cccs1 ZINC000153534323 407844387 /nfs/dbraw/zinc/84/43/87/407844387.db2.gz BUGPPZPEOMYKHI-CYBMUJFWSA-N 2 2 310.467 1.128 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774794 408359714 /nfs/dbraw/zinc/35/97/14/408359714.db2.gz GMUIGGUVBZQOMF-HOTGVXAUSA-N 2 2 317.437 1.058 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774794 408359719 /nfs/dbraw/zinc/35/97/19/408359719.db2.gz GMUIGGUVBZQOMF-HOTGVXAUSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774794 408359722 /nfs/dbraw/zinc/35/97/22/408359722.db2.gz GMUIGGUVBZQOMF-HOTGVXAUSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774794 408359726 /nfs/dbraw/zinc/35/97/26/408359726.db2.gz GMUIGGUVBZQOMF-HOTGVXAUSA-N 2 2 317.437 1.058 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000328805394 409982512 /nfs/dbraw/zinc/98/25/12/409982512.db2.gz HRYVTJJYZGDOQX-UONOGXRCSA-N 2 2 317.437 1.608 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328805394 409982523 /nfs/dbraw/zinc/98/25/23/409982523.db2.gz HRYVTJJYZGDOQX-UONOGXRCSA-N 2 2 317.437 1.608 20 30 DDEDLP C=CCn1c(C)cc(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000647835827 423068690 /nfs/dbraw/zinc/06/86/90/423068690.db2.gz QKEIITLFCFSGPT-UHFFFAOYSA-N 2 2 318.465 1.311 20 30 DDEDLP C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000647835827 423068693 /nfs/dbraw/zinc/06/86/93/423068693.db2.gz QKEIITLFCFSGPT-UHFFFAOYSA-N 2 2 318.465 1.311 20 30 DDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCC1 ZINC000261699432 222254876 /nfs/dbraw/zinc/25/48/76/222254876.db2.gz CGMMNDHRPRVXDE-UHFFFAOYSA-N 2 2 308.470 1.868 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC[C@@H]1CCCS1 ZINC000261969781 222265240 /nfs/dbraw/zinc/26/52/40/222265240.db2.gz MMQIJGPYVQHWQX-LBPRGKRZSA-N 2 2 310.471 1.047 20 30 DDEDLP C[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262659111 222288438 /nfs/dbraw/zinc/28/84/38/222288438.db2.gz MMLFDYXBXNMTHA-LSDHHAIUSA-N 2 2 301.438 1.134 20 30 DDEDLP CN1CCC[NH+]=C1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000263206111 222306227 /nfs/dbraw/zinc/30/62/27/222306227.db2.gz YGBIIXRVUHGEIG-INIZCTEOSA-N 2 2 318.490 1.885 20 30 DDEDLP CN1CCC[NH+]=C1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000263206111 222306230 /nfs/dbraw/zinc/30/62/30/222306230.db2.gz YGBIIXRVUHGEIG-INIZCTEOSA-N 2 2 318.490 1.885 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000342223086 418627558 /nfs/dbraw/zinc/62/75/58/418627558.db2.gz BUYJVYQBKSHSLF-UHFFFAOYSA-N 2 2 318.469 2.145 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NCCCC)nc(N)[nH+]2)CC1 ZINC000342223086 418627562 /nfs/dbraw/zinc/62/75/62/418627562.db2.gz BUYJVYQBKSHSLF-UHFFFAOYSA-N 2 2 318.469 2.145 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361673963 418697850 /nfs/dbraw/zinc/69/78/50/418697850.db2.gz BDDKABPONCFQPF-MUQADHOPSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361673963 418697852 /nfs/dbraw/zinc/69/78/52/418697852.db2.gz BDDKABPONCFQPF-MUQADHOPSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361673963 418697854 /nfs/dbraw/zinc/69/78/54/418697854.db2.gz BDDKABPONCFQPF-MUQADHOPSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361673963 418697856 /nfs/dbraw/zinc/69/78/56/418697856.db2.gz BDDKABPONCFQPF-MUQADHOPSA-N 2 2 320.481 1.845 20 30 DDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529476 418721578 /nfs/dbraw/zinc/72/15/78/418721578.db2.gz BQUSOENZCPPVIC-HOCLYGCPSA-N 2 2 306.454 1.112 20 30 DDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529476 418721581 /nfs/dbraw/zinc/72/15/81/418721581.db2.gz BQUSOENZCPPVIC-HOCLYGCPSA-N 2 2 306.454 1.112 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318957 418752562 /nfs/dbraw/zinc/75/25/62/418752562.db2.gz MCJUKTCZCOJEMI-ZACQAIPSSA-N 2 2 312.417 1.501 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318957 418752564 /nfs/dbraw/zinc/75/25/64/418752564.db2.gz MCJUKTCZCOJEMI-ZACQAIPSSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318957 418752566 /nfs/dbraw/zinc/75/25/66/418752566.db2.gz MCJUKTCZCOJEMI-ZACQAIPSSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318957 418752568 /nfs/dbraw/zinc/75/25/68/418752568.db2.gz MCJUKTCZCOJEMI-ZACQAIPSSA-N 2 2 312.417 1.501 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293057 418776158 /nfs/dbraw/zinc/77/61/58/418776158.db2.gz FFRLBBLRYPNTIG-IXDOHACOSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293057 418776162 /nfs/dbraw/zinc/77/61/62/418776162.db2.gz FFRLBBLRYPNTIG-IXDOHACOSA-N 2 2 323.481 1.595 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000527297863 421376054 /nfs/dbraw/zinc/37/60/54/421376054.db2.gz AAYRIJADYJOLDB-OLZOCXBDSA-N 2 2 301.394 1.540 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000527297863 421376057 /nfs/dbraw/zinc/37/60/57/421376057.db2.gz AAYRIJADYJOLDB-OLZOCXBDSA-N 2 2 301.394 1.540 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000572631661 421807358 /nfs/dbraw/zinc/80/73/58/421807358.db2.gz AZRHGPBSSMUMRC-IRXDYDNUSA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000572631661 421807361 /nfs/dbraw/zinc/80/73/61/421807361.db2.gz AZRHGPBSSMUMRC-IRXDYDNUSA-N 2 2 304.434 1.839 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498097 289342275 /nfs/dbraw/zinc/34/22/75/289342275.db2.gz QUEGVALBGDOZAT-NVXWUHKLSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498097 289342278 /nfs/dbraw/zinc/34/22/78/289342278.db2.gz QUEGVALBGDOZAT-NVXWUHKLSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366498097 289342281 /nfs/dbraw/zinc/34/22/81/289342281.db2.gz QUEGVALBGDOZAT-NVXWUHKLSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366498097 289342284 /nfs/dbraw/zinc/34/22/84/289342284.db2.gz QUEGVALBGDOZAT-NVXWUHKLSA-N 2 2 318.465 1.745 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000533867477 332226105 /nfs/dbraw/zinc/22/61/05/332226105.db2.gz NJQARGHYKFKLCJ-MLGOLLRUSA-N 2 2 301.394 1.018 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000533867477 332226106 /nfs/dbraw/zinc/22/61/06/332226106.db2.gz NJQARGHYKFKLCJ-MLGOLLRUSA-N 2 2 301.394 1.018 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000526055953 333079389 /nfs/dbraw/zinc/07/93/89/333079389.db2.gz RJEDWTBZYJKQCG-CABCVRRESA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000526055953 333079391 /nfs/dbraw/zinc/07/93/91/333079391.db2.gz RJEDWTBZYJKQCG-CABCVRRESA-N 2 2 304.438 1.355 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893267 336376247 /nfs/dbraw/zinc/37/62/47/336376247.db2.gz NRXFAHICTRHNDI-GOEBONIOSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893267 336376248 /nfs/dbraw/zinc/37/62/48/336376248.db2.gz NRXFAHICTRHNDI-GOEBONIOSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000525893267 336376249 /nfs/dbraw/zinc/37/62/49/336376249.db2.gz NRXFAHICTRHNDI-GOEBONIOSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000525893267 336376250 /nfs/dbraw/zinc/37/62/50/336376250.db2.gz NRXFAHICTRHNDI-GOEBONIOSA-N 2 2 316.449 1.498 20 30 DDEDLP C#CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247077800 341360654 /nfs/dbraw/zinc/36/06/54/341360654.db2.gz VWRTUQYXEJUDEL-IAGOWNOFSA-N 2 2 320.481 1.598 20 30 DDEDLP C#CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247077800 341360655 /nfs/dbraw/zinc/36/06/55/341360655.db2.gz VWRTUQYXEJUDEL-IAGOWNOFSA-N 2 2 320.481 1.598 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[NH+](C)C)cs2)CC1 ZINC000491621417 526932534 /nfs/dbraw/zinc/93/25/34/526932534.db2.gz GYDNDZUQGLHZMC-UHFFFAOYSA-N 2 2 306.435 1.488 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000491750326 526948420 /nfs/dbraw/zinc/94/84/20/526948420.db2.gz RNJLVWLIEHUBCJ-UHFFFAOYSA-N 2 2 317.408 1.343 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000491750326 526948428 /nfs/dbraw/zinc/94/84/28/526948428.db2.gz RNJLVWLIEHUBCJ-UHFFFAOYSA-N 2 2 317.408 1.343 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000491484590 526981596 /nfs/dbraw/zinc/98/15/96/526981596.db2.gz JNVYAXGONYDURC-HNNXBMFYSA-N 2 2 314.433 1.336 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269179 528185661 /nfs/dbraw/zinc/18/56/61/528185661.db2.gz DHTXJACJWAPGLQ-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269179 528185665 /nfs/dbraw/zinc/18/56/65/528185665.db2.gz DHTXJACJWAPGLQ-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+]1CCC([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920870 528194716 /nfs/dbraw/zinc/19/47/16/528194716.db2.gz SKGBOKNOMIFZIM-CQSZACIVSA-N 2 2 319.453 1.824 20 30 DDEDLP CCC[NH+]1CCC(NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920870 528194722 /nfs/dbraw/zinc/19/47/22/528194722.db2.gz SKGBOKNOMIFZIM-CQSZACIVSA-N 2 2 319.453 1.824 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330429136 528991453 /nfs/dbraw/zinc/99/14/53/528991453.db2.gz UYBFSHKDBPKCMG-QGZVFWFLSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330429136 528991455 /nfs/dbraw/zinc/99/14/55/528991455.db2.gz UYBFSHKDBPKCMG-QGZVFWFLSA-N 2 2 308.470 1.845 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980276533 696726249 /nfs/dbraw/zinc/72/62/49/696726249.db2.gz XBPUNXFZSMIYGL-ARFHVFGLSA-N 2 2 300.406 1.123 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980276533 696726252 /nfs/dbraw/zinc/72/62/52/696726252.db2.gz XBPUNXFZSMIYGL-ARFHVFGLSA-N 2 2 300.406 1.123 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374139 695233319 /nfs/dbraw/zinc/23/33/19/695233319.db2.gz OVGHRSTYQVIIIU-FUHWJXTLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374139 695233320 /nfs/dbraw/zinc/23/33/20/695233320.db2.gz OVGHRSTYQVIIIU-FUHWJXTLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374139 695233321 /nfs/dbraw/zinc/23/33/21/695233321.db2.gz OVGHRSTYQVIIIU-FUHWJXTLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374139 695233322 /nfs/dbraw/zinc/23/33/22/695233322.db2.gz OVGHRSTYQVIIIU-FUHWJXTLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656869 695310826 /nfs/dbraw/zinc/31/08/26/695310826.db2.gz WYLLEWPXDNXEEY-KRWDZBQOSA-N 2 2 318.421 1.140 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656869 695310830 /nfs/dbraw/zinc/31/08/30/695310830.db2.gz WYLLEWPXDNXEEY-KRWDZBQOSA-N 2 2 318.421 1.140 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473523 696179067 /nfs/dbraw/zinc/17/90/67/696179067.db2.gz XNHUYAHHFUBQJL-ZIAGYGMSSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473523 696179069 /nfs/dbraw/zinc/17/90/69/696179069.db2.gz XNHUYAHHFUBQJL-ZIAGYGMSSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473523 696179070 /nfs/dbraw/zinc/17/90/70/696179070.db2.gz XNHUYAHHFUBQJL-ZIAGYGMSSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473523 696179072 /nfs/dbraw/zinc/17/90/72/696179072.db2.gz XNHUYAHHFUBQJL-ZIAGYGMSSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978360984 696370587 /nfs/dbraw/zinc/37/05/87/696370587.db2.gz NHHQHAJQCRNRJJ-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978360984 696370589 /nfs/dbraw/zinc/37/05/89/696370589.db2.gz NHHQHAJQCRNRJJ-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986605543 697850313 /nfs/dbraw/zinc/85/03/13/697850313.db2.gz XYRKLKPTCQJLOP-QWHCGFSZSA-N 2 2 310.829 1.684 20 30 DDEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000775338353 697985008 /nfs/dbraw/zinc/98/50/08/697985008.db2.gz OYWSOURHHAIUMH-CQSZACIVSA-N 2 2 316.405 1.014 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000987341863 698090079 /nfs/dbraw/zinc/09/00/79/698090079.db2.gz MMDYQMKYDVGVPI-UKRRQHHQSA-N 2 2 309.373 1.093 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000303785478 698606921 /nfs/dbraw/zinc/60/69/21/698606921.db2.gz QMEAWBZMKHEHKZ-MRXNPFEDSA-N 2 2 320.437 1.779 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989497892 698645924 /nfs/dbraw/zinc/64/59/24/698645924.db2.gz LUOSPCDGTWOWDH-UHFFFAOYSA-N 2 2 300.406 1.319 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989497892 698645928 /nfs/dbraw/zinc/64/59/28/698645928.db2.gz LUOSPCDGTWOWDH-UHFFFAOYSA-N 2 2 300.406 1.319 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991468667 699331243 /nfs/dbraw/zinc/33/12/43/699331243.db2.gz COZQCWIHUAKHHA-HDMKZQKVSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991468667 699331247 /nfs/dbraw/zinc/33/12/47/699331247.db2.gz COZQCWIHUAKHHA-HDMKZQKVSA-N 2 2 312.417 1.192 20 30 DDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccnn1-c1cc[nH+]cc1 ZINC000853324575 704234039 /nfs/dbraw/zinc/23/40/39/704234039.db2.gz LEHCYIFKQZBYMV-GASCZTMLSA-N 2 2 309.377 1.461 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876730723 705844992 /nfs/dbraw/zinc/84/49/92/705844992.db2.gz LPVXBQPZDKPAIV-LRDDRELGSA-N 2 2 309.373 1.146 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792525 710902708 /nfs/dbraw/zinc/90/27/08/710902708.db2.gz BHEZZJHCRBRKFT-ZFWWWQNUSA-N 2 2 315.421 1.191 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792525 710902709 /nfs/dbraw/zinc/90/27/09/710902709.db2.gz BHEZZJHCRBRKFT-ZFWWWQNUSA-N 2 2 315.421 1.191 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814676 711289326 /nfs/dbraw/zinc/28/93/26/711289326.db2.gz GLSRANCKZPYHHN-UHFFFAOYSA-N 2 2 307.438 1.032 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814676 711289327 /nfs/dbraw/zinc/28/93/27/711289327.db2.gz GLSRANCKZPYHHN-UHFFFAOYSA-N 2 2 307.438 1.032 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000928647975 713249512 /nfs/dbraw/zinc/24/95/12/713249512.db2.gz BWNAQWFXFODYTM-INIZCTEOSA-N 2 2 302.422 1.684 20 30 DDEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895163061 711438288 /nfs/dbraw/zinc/43/82/88/711438288.db2.gz QHOPONAXVCHTAV-KBMXLJTQSA-N 2 2 309.454 1.999 20 30 DDEDLP C#CCCCCCC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685143 711577170 /nfs/dbraw/zinc/57/71/70/711577170.db2.gz KLDRFSCLTQJLQH-IBGZPJMESA-N 2 2 321.509 1.956 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279027 716893335 /nfs/dbraw/zinc/89/33/35/716893335.db2.gz ZVMRCGRHWKOEHU-HOTGVXAUSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279027 716893338 /nfs/dbraw/zinc/89/33/38/716893338.db2.gz ZVMRCGRHWKOEHU-HOTGVXAUSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962209462 717353628 /nfs/dbraw/zinc/35/36/28/717353628.db2.gz IMBACGBVIOHJPH-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962209462 717353633 /nfs/dbraw/zinc/35/36/33/717353633.db2.gz IMBACGBVIOHJPH-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000963582245 717836977 /nfs/dbraw/zinc/83/69/77/717836977.db2.gz OPDKKGABZBFRIV-QQFBHYJXSA-N 2 2 316.449 1.991 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378536 719543802 /nfs/dbraw/zinc/54/38/02/719543802.db2.gz RCAZOTPFVBFPMO-JKSUJKDBSA-N 2 2 316.449 1.856 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378536 719543807 /nfs/dbraw/zinc/54/38/07/719543807.db2.gz RCAZOTPFVBFPMO-JKSUJKDBSA-N 2 2 316.449 1.856 20 30 DDEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969769517 720284664 /nfs/dbraw/zinc/28/46/64/720284664.db2.gz POTBTLSGGDOAIK-GFCCVEGCSA-N 2 2 305.447 1.493 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970481618 720778355 /nfs/dbraw/zinc/77/83/55/720778355.db2.gz HOPKHMYSWVDBKS-MRXNPFEDSA-N 2 2 323.400 1.225 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255600 733379361 /nfs/dbraw/zinc/37/93/61/733379361.db2.gz CZFUGVCYASUICY-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039255600 733379364 /nfs/dbraw/zinc/37/93/64/733379364.db2.gz CZFUGVCYASUICY-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633081 733386584 /nfs/dbraw/zinc/38/65/84/733386584.db2.gz ONOYJPQPEZKBGN-HOTGVXAUSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633081 733386587 /nfs/dbraw/zinc/38/65/87/733386587.db2.gz ONOYJPQPEZKBGN-HOTGVXAUSA-N 2 2 322.412 1.894 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638072 733392114 /nfs/dbraw/zinc/39/21/14/733392114.db2.gz HEGPVUGUQLEYGY-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638072 733392116 /nfs/dbraw/zinc/39/21/16/733392116.db2.gz HEGPVUGUQLEYGY-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314832 733469857 /nfs/dbraw/zinc/46/98/57/733469857.db2.gz BAFHTBCJHMHZFJ-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314832 733469858 /nfs/dbraw/zinc/46/98/58/733469858.db2.gz BAFHTBCJHMHZFJ-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP 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C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124096 759196143 /nfs/dbraw/zinc/19/61/43/759196143.db2.gz KDFHYGMPKDBZRW-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124096 759196147 /nfs/dbraw/zinc/19/61/47/759196147.db2.gz KDFHYGMPKDBZRW-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085249524 759198549 /nfs/dbraw/zinc/19/85/49/759198549.db2.gz HOEAERCGGUVCIX-RRFJBIMHSA-N 2 2 302.422 1.649 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676491 759977282 /nfs/dbraw/zinc/97/72/82/759977282.db2.gz QVLRNFYBTHAZBQ-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676491 759977286 /nfs/dbraw/zinc/97/72/86/759977286.db2.gz QVLRNFYBTHAZBQ-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680198 759993409 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ZINC001098908392 774715833 /nfs/dbraw/zinc/71/58/33/774715833.db2.gz ACIOKPIERZNWRR-VKJFTORMSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908392 774715838 /nfs/dbraw/zinc/71/58/38/774715838.db2.gz ACIOKPIERZNWRR-VKJFTORMSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[NH2+]C1CC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001100755891 776502997 /nfs/dbraw/zinc/50/29/97/776502997.db2.gz QOANEOQRXRNTDQ-UHFFFAOYSA-N 2 2 310.401 1.303 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094909959 776777972 /nfs/dbraw/zinc/77/79/72/776777972.db2.gz RUKCIJGYEJSWBY-KKUMJFAQSA-N 2 2 302.422 1.888 20 30 DDEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421921 777181952 /nfs/dbraw/zinc/18/19/52/777181952.db2.gz HDHKBYXBKFRHCP-CQSZACIVSA-N 2 2 314.433 1.703 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102539464 778192707 /nfs/dbraw/zinc/19/27/07/778192707.db2.gz FDVQJPYBRDRUER-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102539464 778192715 /nfs/dbraw/zinc/19/27/15/778192715.db2.gz FDVQJPYBRDRUER-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448660 778593134 /nfs/dbraw/zinc/59/31/34/778593134.db2.gz QOWIPEXOOGPNMJ-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517443 778919078 /nfs/dbraw/zinc/91/90/78/778919078.db2.gz NVMTVOYFLPPHRI-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517443 778919081 /nfs/dbraw/zinc/91/90/81/778919081.db2.gz NVMTVOYFLPPHRI-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517443 778919085 /nfs/dbraw/zinc/91/90/85/778919085.db2.gz NVMTVOYFLPPHRI-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517443 778919090 /nfs/dbraw/zinc/91/90/90/778919090.db2.gz NVMTVOYFLPPHRI-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178879703 779209626 /nfs/dbraw/zinc/20/96/26/779209626.db2.gz DXWJLGGTTWYXTC-HNNXBMFYSA-N 2 2 316.449 1.722 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178879703 779209630 /nfs/dbraw/zinc/20/96/30/779209630.db2.gz DXWJLGGTTWYXTC-HNNXBMFYSA-N 2 2 316.449 1.722 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111961212 779580526 /nfs/dbraw/zinc/58/05/26/779580526.db2.gz NBSNNPHBEDKXHD-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111961212 779580529 /nfs/dbraw/zinc/58/05/29/779580529.db2.gz NBSNNPHBEDKXHD-YJBOKZPZSA-N 2 2 314.433 1.347 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275786 779672148 /nfs/dbraw/zinc/67/21/48/779672148.db2.gz KQJLWCSCMIZERV-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170783 779921738 /nfs/dbraw/zinc/92/17/38/779921738.db2.gz XVMKGNGOSORWAM-HVOFVXBASA-N 2 2 302.422 1.662 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170783 779921742 /nfs/dbraw/zinc/92/17/42/779921742.db2.gz XVMKGNGOSORWAM-HVOFVXBASA-N 2 2 302.422 1.662 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996794 844279425 /nfs/dbraw/zinc/27/94/25/844279425.db2.gz RFEMXXUDEFAECZ-DOTOQJQBSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996794 844279434 /nfs/dbraw/zinc/27/94/34/844279434.db2.gz RFEMXXUDEFAECZ-DOTOQJQBSA-N 2 2 320.437 1.181 20 30 DDEDLP CC#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267493684 838176710 /nfs/dbraw/zinc/17/67/10/838176710.db2.gz KSYBZKXPWLBBSX-CYBMUJFWSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586089 838370571 /nfs/dbraw/zinc/37/05/71/838370571.db2.gz JZEUWZLRAKFSIW-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586089 838370577 /nfs/dbraw/zinc/37/05/77/838370577.db2.gz JZEUWZLRAKFSIW-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C#CC[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001267938788 839228949 /nfs/dbraw/zinc/22/89/49/839228949.db2.gz KDKIXVJLNAUVSH-OAHLLOKOSA-N 2 2 310.401 1.873 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268025703 839423015 /nfs/dbraw/zinc/42/30/15/839423015.db2.gz KGSSMLYWNXGUTQ-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268025703 839423025 /nfs/dbraw/zinc/42/30/25/839423025.db2.gz KGSSMLYWNXGUTQ-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001269180503 841307004 /nfs/dbraw/zinc/30/70/04/841307004.db2.gz DQFDOUZPXYOIJS-ZBFHGGJFSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001326318018 861276809 /nfs/dbraw/zinc/27/68/09/861276809.db2.gz QNXGZGLQJNDVPT-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271007243 843128253 /nfs/dbraw/zinc/12/82/53/843128253.db2.gz LDOPPDFQHMOJCI-QGZVFWFLSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271007243 843128262 /nfs/dbraw/zinc/12/82/62/843128262.db2.gz LDOPPDFQHMOJCI-QGZVFWFLSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001271072565 843184171 /nfs/dbraw/zinc/18/41/71/843184171.db2.gz DRWUGJYRIIUROW-CQSZACIVSA-N 2 2 306.410 1.275 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001279138741 843188966 /nfs/dbraw/zinc/18/89/66/843188966.db2.gz ROTYFROKYDMZHI-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP COC(=O)[C@H]([NH3+])C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001155154756 861781734 /nfs/dbraw/zinc/78/17/34/861781734.db2.gz ZIVQHACOEQGPFD-MRXNPFEDSA-N 2 2 324.384 1.823 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279421 848240095 /nfs/dbraw/zinc/24/00/95/848240095.db2.gz RRMVAJZZPGAQEM-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279421 848240102 /nfs/dbraw/zinc/24/01/02/848240102.db2.gz RRMVAJZZPGAQEM-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312605 848311674 /nfs/dbraw/zinc/31/16/74/848311674.db2.gz QRWISQYEBBXKHA-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312605 848311678 /nfs/dbraw/zinc/31/16/78/848311678.db2.gz QRWISQYEBBXKHA-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321288 861957734 /nfs/dbraw/zinc/95/77/34/861957734.db2.gz LEVNNYXDDGSRNY-RBSFLKMASA-N 2 2 302.422 1.374 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321288 861957750 /nfs/dbraw/zinc/95/77/50/861957750.db2.gz LEVNNYXDDGSRNY-RBSFLKMASA-N 2 2 302.422 1.374 20 30 DDEDLP N#CCc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(Cl)c1 ZINC001155383253 862019130 /nfs/dbraw/zinc/01/91/30/862019130.db2.gz QPGQGBPGCARVOH-CQSZACIVSA-N 2 2 319.840 1.660 20 30 DDEDLP C#CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273542678 851079024 /nfs/dbraw/zinc/07/90/24/851079024.db2.gz YBRPVDAMOAIXGL-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273542678 851079029 /nfs/dbraw/zinc/07/90/29/851079029.db2.gz YBRPVDAMOAIXGL-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380711 862206688 /nfs/dbraw/zinc/20/66/88/862206688.db2.gz YCGIDYQWBLMKJR-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380711 862206702 /nfs/dbraw/zinc/20/67/02/862206702.db2.gz YCGIDYQWBLMKJR-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426237 862237818 /nfs/dbraw/zinc/23/78/18/862237818.db2.gz RDPVBFCHEVUERT-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426237 862237833 /nfs/dbraw/zinc/23/78/33/862237833.db2.gz RDPVBFCHEVUERT-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426237 862237848 /nfs/dbraw/zinc/23/78/48/862237848.db2.gz RDPVBFCHEVUERT-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426237 862237861 /nfs/dbraw/zinc/23/78/61/862237861.db2.gz RDPVBFCHEVUERT-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827884 851394192 /nfs/dbraw/zinc/39/41/92/851394192.db2.gz XTJZSXVUTUVAAZ-SFHVURJKSA-N 2 2 319.449 1.498 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827884 851394196 /nfs/dbraw/zinc/39/41/96/851394196.db2.gz XTJZSXVUTUVAAZ-SFHVURJKSA-N 2 2 319.449 1.498 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553171 856967758 /nfs/dbraw/zinc/96/77/58/856967758.db2.gz SJMUPWITMDDXND-SJORKVTESA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553171 856967763 /nfs/dbraw/zinc/96/77/63/856967763.db2.gz SJMUPWITMDDXND-SJORKVTESA-N 2 2 308.385 1.875 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021770 858009203 /nfs/dbraw/zinc/00/92/03/858009203.db2.gz MXZXAOZEIFRDOT-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021770 858009212 /nfs/dbraw/zinc/00/92/12/858009212.db2.gz MXZXAOZEIFRDOT-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[NH2+]CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001121904100 858627985 /nfs/dbraw/zinc/62/79/85/858627985.db2.gz REZONCUTUILVKD-MRXNPFEDSA-N 2 2 319.836 1.816 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001122117923 858690015 /nfs/dbraw/zinc/69/00/15/858690015.db2.gz GTIFSEPMTMEAJW-UHFFFAOYSA-N 2 2 300.406 1.301 20 30 DDEDLP C[NH+](C)Cc1csc(CNC(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC001122150455 858697026 /nfs/dbraw/zinc/69/70/26/858697026.db2.gz ALVMJZWYVLVHTE-GFCCVEGCSA-N 2 2 309.439 1.232 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857248 860167299 /nfs/dbraw/zinc/16/72/99/860167299.db2.gz QHSRGXUYSMPSRV-UONOGXRCSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014069 860595055 /nfs/dbraw/zinc/59/50/55/860595055.db2.gz NOACHKJYZQFTDE-LSDHHAIUSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014069 860595056 /nfs/dbraw/zinc/59/50/56/860595056.db2.gz NOACHKJYZQFTDE-LSDHHAIUSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001328632194 863119474 /nfs/dbraw/zinc/11/94/74/863119474.db2.gz QDVLLADNADUUSW-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153644 863616781 /nfs/dbraw/zinc/61/67/81/863616781.db2.gz NAFBVTVZRAXCAD-WBVHZDCISA-N 2 2 316.449 1.534 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153644 863616789 /nfs/dbraw/zinc/61/67/89/863616789.db2.gz NAFBVTVZRAXCAD-WBVHZDCISA-N 2 2 316.449 1.534 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)CCOCC1 ZINC001329596637 863744291 /nfs/dbraw/zinc/74/42/91/863744291.db2.gz PLTJHTPOQPBCAE-OAHLLOKOSA-N 2 2 306.410 1.324 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995131 864293587 /nfs/dbraw/zinc/29/35/87/864293587.db2.gz TVWSCTGEIQWGGM-OAHLLOKOSA-N 2 2 304.438 1.777 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995131 864293599 /nfs/dbraw/zinc/29/35/99/864293599.db2.gz TVWSCTGEIQWGGM-OAHLLOKOSA-N 2 2 304.438 1.777 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001330425735 864334456 /nfs/dbraw/zinc/33/44/56/864334456.db2.gz MWCTYFYNGHOPME-GDBMZVCRSA-N 2 2 320.437 1.134 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001158171782 864469188 /nfs/dbraw/zinc/46/91/88/864469188.db2.gz IMWNJYRMQLSJLX-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001158171782 864469196 /nfs/dbraw/zinc/46/91/96/864469196.db2.gz IMWNJYRMQLSJLX-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331489991 865114035 /nfs/dbraw/zinc/11/40/35/865114035.db2.gz NRZJPAQBVBIFJE-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225591326 881925418 /nfs/dbraw/zinc/92/54/18/881925418.db2.gz QQROLYKVLGEMRD-KRWDZBQOSA-N 2 2 314.433 1.146 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301678 866505299 /nfs/dbraw/zinc/50/52/99/866505299.db2.gz WHOUNHXQUZTEQO-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC(F)(F)F ZINC001322176722 868029620 /nfs/dbraw/zinc/02/96/20/868029620.db2.gz RCNYEMKUMDSVQI-STQMWFEESA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC(F)(F)F ZINC001322176722 868029637 /nfs/dbraw/zinc/02/96/37/868029637.db2.gz RCNYEMKUMDSVQI-STQMWFEESA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F ZINC001322176722 868029654 /nfs/dbraw/zinc/02/96/54/868029654.db2.gz RCNYEMKUMDSVQI-STQMWFEESA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F ZINC001322176722 868029670 /nfs/dbraw/zinc/02/96/70/868029670.db2.gz RCNYEMKUMDSVQI-STQMWFEESA-N 2 2 319.371 1.473 20 30 DDEDLP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001322581493 868263393 /nfs/dbraw/zinc/26/33/93/868263393.db2.gz PNALFXMEPDIINX-CYBMUJFWSA-N 2 2 310.829 1.636 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317186737 870436245 /nfs/dbraw/zinc/43/62/45/870436245.db2.gz BFHARDIKHMJJLO-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605638 870669508 /nfs/dbraw/zinc/66/95/08/870669508.db2.gz LCRIWJIPELAARR-LSDHHAIUSA-N 2 2 302.422 1.556 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203906783 870828268 /nfs/dbraw/zinc/82/82/68/870828268.db2.gz ZIDIIYFFBCPPTG-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001203906783 870828272 /nfs/dbraw/zinc/82/82/72/870828272.db2.gz ZIDIIYFFBCPPTG-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001317694172 871419495 /nfs/dbraw/zinc/41/94/95/871419495.db2.gz PVXIQPZNYMSDQQ-HNNXBMFYSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001317694172 871419511 /nfs/dbraw/zinc/41/95/11/871419511.db2.gz PVXIQPZNYMSDQQ-HNNXBMFYSA-N 2 2 302.422 1.295 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787116 871502624 /nfs/dbraw/zinc/50/26/24/871502624.db2.gz CBALMHCZLIKHAK-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787116 871502632 /nfs/dbraw/zinc/50/26/32/871502632.db2.gz CBALMHCZLIKHAK-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790246 871504796 /nfs/dbraw/zinc/50/47/96/871504796.db2.gz UKRSESKIPFEGNB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790246 871504804 /nfs/dbraw/zinc/50/48/04/871504804.db2.gz UKRSESKIPFEGNB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853433 871593723 /nfs/dbraw/zinc/59/37/23/871593723.db2.gz LATPULHOJUTHRR-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853433 871593738 /nfs/dbraw/zinc/59/37/38/871593738.db2.gz LATPULHOJUTHRR-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853433 871593753 /nfs/dbraw/zinc/59/37/53/871593753.db2.gz LATPULHOJUTHRR-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853433 871593762 /nfs/dbraw/zinc/59/37/62/871593762.db2.gz LATPULHOJUTHRR-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP C=CCCC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001318123576 871765414 /nfs/dbraw/zinc/76/54/14/871765414.db2.gz ZGADRXBXWXHJFM-UHFFFAOYSA-N 2 2 316.449 1.776 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761664 873541208 /nfs/dbraw/zinc/54/12/08/873541208.db2.gz MMJBXGPVDJZXSA-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761664 873541213 /nfs/dbraw/zinc/54/12/13/873541213.db2.gz MMJBXGPVDJZXSA-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439239 874144735 /nfs/dbraw/zinc/14/47/35/874144735.db2.gz ORPWRZZHTWDQKA-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208738204 874429304 /nfs/dbraw/zinc/42/93/04/874429304.db2.gz LCGWKAHBGVZHCQ-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738204 874429308 /nfs/dbraw/zinc/42/93/08/874429308.db2.gz LCGWKAHBGVZHCQ-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337500 874820388 /nfs/dbraw/zinc/82/03/88/874820388.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337500 874820400 /nfs/dbraw/zinc/82/04/00/874820400.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337500 874820413 /nfs/dbraw/zinc/82/04/13/874820413.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337500 874820426 /nfs/dbraw/zinc/82/04/26/874820426.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294049 875746658 /nfs/dbraw/zinc/74/66/58/875746658.db2.gz XICMNBIZGHMKOL-IRXDYDNUSA-N 2 2 314.433 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402329 887939898 /nfs/dbraw/zinc/93/98/98/887939898.db2.gz KUKNTKYCOHZJOT-HZPDHXFCSA-N 2 2 316.449 1.953 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402329 887939903 /nfs/dbraw/zinc/93/99/03/887939903.db2.gz KUKNTKYCOHZJOT-HZPDHXFCSA-N 2 2 316.449 1.953 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246304442 892528564 /nfs/dbraw/zinc/52/85/64/892528564.db2.gz CRJODTAITJHLTI-HMQMGEFJSA-N 2 2 323.481 1.818 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278570061 894291648 /nfs/dbraw/zinc/29/16/48/894291648.db2.gz CHFACTHYUAYASH-UKRRQHHQSA-N 2 2 303.406 1.693 20 30 DDEDLP CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001366970011 895457276 /nfs/dbraw/zinc/45/72/76/895457276.db2.gz GTAMPZBSMGDOLT-OAHLLOKOSA-N 2 2 320.462 1.508 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278685981 895528473 /nfs/dbraw/zinc/52/84/73/895528473.db2.gz GSJHHPWOBYZZSN-KRWDZBQOSA-N 2 2 302.422 1.502 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278685981 895528479 /nfs/dbraw/zinc/52/84/79/895528479.db2.gz GSJHHPWOBYZZSN-KRWDZBQOSA-N 2 2 302.422 1.502 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001367631394 897289052 /nfs/dbraw/zinc/28/90/52/897289052.db2.gz DQYITEWQKVKOHL-KBPBESRZSA-N 2 2 324.856 1.980 20 30 DDEDLP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263994734 900862915 /nfs/dbraw/zinc/86/29/15/900862915.db2.gz BEKMZHIBQDKBBF-OAGGEKHMSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078361 900914356 /nfs/dbraw/zinc/91/43/56/900914356.db2.gz IVHNIEVCXRNZDP-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078361 900914373 /nfs/dbraw/zinc/91/43/73/900914373.db2.gz IVHNIEVCXRNZDP-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001264578804 901188370 /nfs/dbraw/zinc/18/83/70/901188370.db2.gz DHENZHDYCDFSAV-HZPDHXFCSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001279155807 903186474 /nfs/dbraw/zinc/18/64/74/903186474.db2.gz GFVWBINXBAVSEL-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001279155807 903186480 /nfs/dbraw/zinc/18/64/80/903186480.db2.gz GFVWBINXBAVSEL-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP C#CC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001279368336 903237421 /nfs/dbraw/zinc/23/74/21/903237421.db2.gz OKWCSJRIZUCXFT-HNNXBMFYSA-N 2 2 314.433 1.828 20 30 DDEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001281018198 904324342 /nfs/dbraw/zinc/32/43/42/904324342.db2.gz YCCSINNYIDNLIK-UHFFFAOYSA-N 2 2 302.422 1.726 20 30 DDEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001281018198 904324346 /nfs/dbraw/zinc/32/43/46/904324346.db2.gz YCCSINNYIDNLIK-UHFFFAOYSA-N 2 2 302.422 1.726 20 30 DDEDLP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001282644514 905917220 /nfs/dbraw/zinc/91/72/20/905917220.db2.gz ZYRBBGRXYXFAMW-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001372280890 906904763 /nfs/dbraw/zinc/90/47/63/906904763.db2.gz BXHMKOWVHBBUIL-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001372280890 906904780 /nfs/dbraw/zinc/90/47/80/906904780.db2.gz BXHMKOWVHBBUIL-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001372280890 906904797 /nfs/dbraw/zinc/90/47/97/906904797.db2.gz BXHMKOWVHBBUIL-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001372280890 906904808 /nfs/dbraw/zinc/90/48/08/906904808.db2.gz BXHMKOWVHBBUIL-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284424455 908979276 /nfs/dbraw/zinc/97/92/76/908979276.db2.gz IQPXSBATFCWMCA-AWEZNQCLSA-N 2 2 316.405 1.552 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001284433077 908993750 /nfs/dbraw/zinc/99/37/50/908993750.db2.gz WBIOFBBEZIGRBY-CQSZACIVSA-N 2 2 316.405 1.323 20 30 DDEDLP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001284774397 909474443 /nfs/dbraw/zinc/47/44/43/909474443.db2.gz UWDROYYRPUOHBP-VQCLRJIVSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001375758981 916884179 /nfs/dbraw/zinc/88/41/79/916884179.db2.gz FDIZUJZLIZKCPI-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001377207437 920632891 /nfs/dbraw/zinc/63/28/91/920632891.db2.gz UIRHAWXUVLHGBL-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001377207437 920632901 /nfs/dbraw/zinc/63/29/01/920632901.db2.gz UIRHAWXUVLHGBL-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001377207437 920632909 /nfs/dbraw/zinc/63/29/09/920632909.db2.gz UIRHAWXUVLHGBL-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001377207437 920632919 /nfs/dbraw/zinc/63/29/19/920632919.db2.gz UIRHAWXUVLHGBL-MRXNPFEDSA-N 2 2 300.406 1.200 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000591770603 355381742 /nfs/dbraw/zinc/38/17/42/355381742.db2.gz RNEFRAWHASTMIO-ZENOOKHLSA-N 2 2 321.396 1.257 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000591770603 355381746 /nfs/dbraw/zinc/38/17/46/355381746.db2.gz RNEFRAWHASTMIO-ZENOOKHLSA-N 2 2 321.396 1.257 20 30 DDEDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)cc1F ZINC000596654888 356943449 /nfs/dbraw/zinc/94/34/49/356943449.db2.gz QMNJQOGPHGLSSE-VIFPVBQESA-N 2 2 301.325 1.502 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600729546 358299671 /nfs/dbraw/zinc/29/96/71/358299671.db2.gz AZIMPHYAGBBOHA-QGZVFWFLSA-N 2 2 311.385 1.834 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600732663 358300493 /nfs/dbraw/zinc/30/04/93/358300493.db2.gz UKRMCBQSMSGODN-INIZCTEOSA-N 2 2 303.406 1.594 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000600758790 358309524 /nfs/dbraw/zinc/30/95/24/358309524.db2.gz WSJSWKUSFVGSAU-IAGOWNOFSA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCOCC1 ZINC000600758790 358309526 /nfs/dbraw/zinc/30/95/26/358309526.db2.gz WSJSWKUSFVGSAU-IAGOWNOFSA-N 2 2 321.465 1.664 20 30 DDEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000602604172 359067823 /nfs/dbraw/zinc/06/78/23/359067823.db2.gz XZPIBFZRZGRYNM-KGLIPLIRSA-N 2 2 303.410 1.441 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000602717894 359146369 /nfs/dbraw/zinc/14/63/69/359146369.db2.gz JTXHKVMJZOZDOZ-NVXWUHKLSA-N 2 2 321.465 1.928 20 30 DDEDLP C[C@H]([NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958009 223053391 /nfs/dbraw/zinc/05/33/91/223053391.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H]([NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958009 223053392 /nfs/dbraw/zinc/05/33/92/223053392.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958009 223053396 /nfs/dbraw/zinc/05/33/96/223053396.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958009 223053399 /nfs/dbraw/zinc/05/33/99/223053399.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958009 223053402 /nfs/dbraw/zinc/05/34/02/223053402.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958009 223053406 /nfs/dbraw/zinc/05/34/06/223053406.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 2 317.437 1.600 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204850 285036976 /nfs/dbraw/zinc/03/69/76/285036976.db2.gz PQGVOEPCHACHGH-PMPSAXMXSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204850 285036979 /nfs/dbraw/zinc/03/69/79/285036979.db2.gz PQGVOEPCHACHGH-PMPSAXMXSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354204850 285036981 /nfs/dbraw/zinc/03/69/81/285036981.db2.gz PQGVOEPCHACHGH-PMPSAXMXSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354204850 285036985 /nfs/dbraw/zinc/03/69/85/285036985.db2.gz PQGVOEPCHACHGH-PMPSAXMXSA-N 2 2 308.470 1.799 20 30 DDEDLP C[NH+]1CCC(CNc2cnc(C#N)cn2)([NH+]2CCCCC2)CC1 ZINC000125734100 407396643 /nfs/dbraw/zinc/39/66/43/407396643.db2.gz OUFYFWBEFDSVFM-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262007161 407707776 /nfs/dbraw/zinc/70/77/76/407707776.db2.gz VWEBOAKXBZNSKI-WFASDCNBSA-N 2 2 306.458 1.502 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262007161 407707784 /nfs/dbraw/zinc/70/77/84/407707784.db2.gz VWEBOAKXBZNSKI-WFASDCNBSA-N 2 2 306.458 1.502 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000269358420 408281036 /nfs/dbraw/zinc/28/10/36/408281036.db2.gz UWPJJAOODYJZQD-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000269368674 408286187 /nfs/dbraw/zinc/28/61/87/408286187.db2.gz YCOQAAUDWXPPQU-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159975982 408450386 /nfs/dbraw/zinc/45/03/86/408450386.db2.gz VNXBCPWDRLRXGF-ILXRZTDVSA-N 2 2 305.426 1.520 20 30 DDEDLP Cc1nc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000183806548 408493238 /nfs/dbraw/zinc/49/32/38/408493238.db2.gz BNZWZWQUXTZMRI-UHFFFAOYSA-N 2 2 323.400 1.858 20 30 DDEDLP C#CCC[NH+]1CCN(c2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000287975620 409125478 /nfs/dbraw/zinc/12/54/78/409125478.db2.gz RCJXZCQBOBFEKS-UHFFFAOYSA-N 2 2 302.426 1.416 20 30 DDEDLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000342796968 409914139 /nfs/dbraw/zinc/91/41/39/409914139.db2.gz MBIHXQPNKZCZMH-UHFFFAOYSA-N 2 2 313.405 1.142 20 30 DDEDLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cn2c1 ZINC000328961522 410022620 /nfs/dbraw/zinc/02/26/20/410022620.db2.gz QDFMJENCUHZQFY-OAHLLOKOSA-N 2 2 313.405 1.489 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@]2(C)CCCOC2)CC1 ZINC000329165577 410141579 /nfs/dbraw/zinc/14/15/79/410141579.db2.gz HNPHWPMCMAEAQJ-INIZCTEOSA-N 2 2 312.458 1.085 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000329741520 410429338 /nfs/dbraw/zinc/42/93/38/410429338.db2.gz OROULTWLLMNZGH-OLZOCXBDSA-N 2 2 301.394 1.127 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000329741520 410429342 /nfs/dbraw/zinc/42/93/42/410429342.db2.gz OROULTWLLMNZGH-OLZOCXBDSA-N 2 2 301.394 1.127 20 30 DDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000355742857 410670477 /nfs/dbraw/zinc/67/04/77/410670477.db2.gz XFGNCZLUJBKYKZ-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000355742857 410670483 /nfs/dbraw/zinc/67/04/83/410670483.db2.gz XFGNCZLUJBKYKZ-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355742857 410670487 /nfs/dbraw/zinc/67/04/87/410670487.db2.gz XFGNCZLUJBKYKZ-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355742857 410670489 /nfs/dbraw/zinc/67/04/89/410670489.db2.gz XFGNCZLUJBKYKZ-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245577766 222217693 /nfs/dbraw/zinc/21/76/93/222217693.db2.gz ICWTZXALMVLQBC-HZSPNIEDSA-N 2 2 319.409 1.166 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245577766 222217694 /nfs/dbraw/zinc/21/76/94/222217694.db2.gz ICWTZXALMVLQBC-HZSPNIEDSA-N 2 2 319.409 1.166 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@@]1(C)CCCS1 ZINC000262005867 222269363 /nfs/dbraw/zinc/26/93/63/222269363.db2.gz VOOZXMJCOKOGQL-CQSZACIVSA-N 2 2 316.540 1.486 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378298596 418720420 /nfs/dbraw/zinc/72/04/20/418720420.db2.gz HDAHYBDFKOJTDM-HNNXBMFYSA-N 2 2 320.481 1.943 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000378298596 418720421 /nfs/dbraw/zinc/72/04/21/418720421.db2.gz HDAHYBDFKOJTDM-HNNXBMFYSA-N 2 2 320.481 1.943 20 30 DDEDLP C=CCOCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728475 418736694 /nfs/dbraw/zinc/73/66/94/418736694.db2.gz ZYGPAFTYVCMSJX-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCOCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728475 418736697 /nfs/dbraw/zinc/73/66/97/418736697.db2.gz ZYGPAFTYVCMSJX-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000562960611 421431588 /nfs/dbraw/zinc/43/15/88/421431588.db2.gz RBGUMYKQRZIRCB-JQFCIGGWSA-N 2 2 312.417 1.784 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000564212344 421575714 /nfs/dbraw/zinc/57/57/14/421575714.db2.gz SNMZXRPLKLDXAH-CZUORRHYSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000564212344 421575716 /nfs/dbraw/zinc/57/57/16/421575716.db2.gz SNMZXRPLKLDXAH-CZUORRHYSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000564212344 421575718 /nfs/dbraw/zinc/57/57/18/421575718.db2.gz SNMZXRPLKLDXAH-CZUORRHYSA-N 2 2 312.421 1.906 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000564212344 421575720 /nfs/dbraw/zinc/57/57/20/421575720.db2.gz SNMZXRPLKLDXAH-CZUORRHYSA-N 2 2 312.421 1.906 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000518759450 421665661 /nfs/dbraw/zinc/66/56/61/421665661.db2.gz VJCKTCAQPCXMSY-DLBZAZTESA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000518759450 421665664 /nfs/dbraw/zinc/66/56/64/421665664.db2.gz VJCKTCAQPCXMSY-DLBZAZTESA-N 2 2 304.434 1.839 20 30 DDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553091109 421601774 /nfs/dbraw/zinc/60/17/74/421601774.db2.gz KDQADQRQXOVDCG-ZFWWWQNUSA-N 2 2 314.437 1.403 20 30 DDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+][C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000553091109 421601775 /nfs/dbraw/zinc/60/17/75/421601775.db2.gz KDQADQRQXOVDCG-ZFWWWQNUSA-N 2 2 314.437 1.403 20 30 DDEDLP C[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519590316 421704082 /nfs/dbraw/zinc/70/40/82/421704082.db2.gz HBLVZYLSSQWFDH-JKSUJKDBSA-N 2 2 315.421 1.316 20 30 DDEDLP C[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519590316 421704085 /nfs/dbraw/zinc/70/40/85/421704085.db2.gz HBLVZYLSSQWFDH-JKSUJKDBSA-N 2 2 315.421 1.316 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565170 422732691 /nfs/dbraw/zinc/73/26/91/422732691.db2.gz JOYKELQTIILKLE-STQMWFEESA-N 2 2 319.371 1.646 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565170 422732694 /nfs/dbraw/zinc/73/26/94/422732694.db2.gz JOYKELQTIILKLE-STQMWFEESA-N 2 2 319.371 1.646 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664018818 424341290 /nfs/dbraw/zinc/34/12/90/424341290.db2.gz CVBDQXGNCYUUFU-CABCVRRESA-N 2 2 324.469 1.045 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664018818 424341295 /nfs/dbraw/zinc/34/12/95/424341295.db2.gz CVBDQXGNCYUUFU-CABCVRRESA-N 2 2 324.469 1.045 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664018820 424341860 /nfs/dbraw/zinc/34/18/60/424341860.db2.gz CVBDQXGNCYUUFU-GJZGRUSLSA-N 2 2 324.469 1.045 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664018820 424341866 /nfs/dbraw/zinc/34/18/66/424341866.db2.gz CVBDQXGNCYUUFU-GJZGRUSLSA-N 2 2 324.469 1.045 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655799 424741768 /nfs/dbraw/zinc/74/17/68/424741768.db2.gz QBSNYTCURCAMMN-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655799 424741769 /nfs/dbraw/zinc/74/17/69/424741769.db2.gz QBSNYTCURCAMMN-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655799 424741773 /nfs/dbraw/zinc/74/17/73/424741773.db2.gz QBSNYTCURCAMMN-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655799 424741775 /nfs/dbraw/zinc/74/17/75/424741775.db2.gz QBSNYTCURCAMMN-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2c1 ZINC000369480621 268225151 /nfs/dbraw/zinc/22/51/51/268225151.db2.gz QBYYAFJSFFGRGH-HOCLYGCPSA-N 2 2 311.389 1.159 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)n2c1 ZINC000369480621 268225152 /nfs/dbraw/zinc/22/51/52/268225152.db2.gz QBYYAFJSFFGRGH-HOCLYGCPSA-N 2 2 311.389 1.159 20 30 DDEDLP CC1(C)CC(NC(=O)N2CCn3cc[nH+]c3C2)CC(C)(C)[NH2+]1 ZINC000329825593 278183729 /nfs/dbraw/zinc/18/37/29/278183729.db2.gz IEMJGDKJSBACBS-UHFFFAOYSA-N 2 2 305.426 1.922 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123439762 297258355 /nfs/dbraw/zinc/25/83/55/297258355.db2.gz MEVINFMZVIPZQI-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1C ZINC000123439762 297258356 /nfs/dbraw/zinc/25/83/56/297258356.db2.gz MEVINFMZVIPZQI-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439762 297258357 /nfs/dbraw/zinc/25/83/57/297258357.db2.gz MEVINFMZVIPZQI-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439762 297258358 /nfs/dbraw/zinc/25/83/58/297258358.db2.gz MEVINFMZVIPZQI-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000573315685 308236986 /nfs/dbraw/zinc/23/69/86/308236986.db2.gz RLJCBFMZSMFTSP-COXVUDFISA-N 2 2 312.417 1.389 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000445477057 528975893 /nfs/dbraw/zinc/97/58/93/528975893.db2.gz AKKRWVODVBINMU-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000445477057 528975900 /nfs/dbraw/zinc/97/59/00/528975900.db2.gz AKKRWVODVBINMU-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980194162 696705977 /nfs/dbraw/zinc/70/59/77/696705977.db2.gz QEQLHFMKFQVZQV-BFHYXJOUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980194162 696705978 /nfs/dbraw/zinc/70/59/78/696705978.db2.gz QEQLHFMKFQVZQV-BFHYXJOUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816963 695101630 /nfs/dbraw/zinc/10/16/30/695101630.db2.gz CHMAKXKTRIJIGS-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816963 695101631 /nfs/dbraw/zinc/10/16/31/695101631.db2.gz CHMAKXKTRIJIGS-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974614347 695696913 /nfs/dbraw/zinc/69/69/13/695696913.db2.gz GDNOHGWAJDXAIT-OAHLLOKOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974614347 695696914 /nfs/dbraw/zinc/69/69/14/695696914.db2.gz GDNOHGWAJDXAIT-OAHLLOKOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749067 695725436 /nfs/dbraw/zinc/72/54/36/695725436.db2.gz GMTLOFOHTIIZAR-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749067 695725438 /nfs/dbraw/zinc/72/54/38/695725438.db2.gz GMTLOFOHTIIZAR-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974761487 695729211 /nfs/dbraw/zinc/72/92/11/695729211.db2.gz CQYRFWUWVGBOCM-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974761487 695729212 /nfs/dbraw/zinc/72/92/12/695729212.db2.gz CQYRFWUWVGBOCM-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)c1cccc(F)c1 ZINC000104155366 696618777 /nfs/dbraw/zinc/61/87/77/696618777.db2.gz ULJHVCCKVGIQIA-CQSZACIVSA-N 2 2 310.442 1.792 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042607 697011886 /nfs/dbraw/zinc/01/18/86/697011886.db2.gz OVZBLEWDHWXOBQ-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042607 697011889 /nfs/dbraw/zinc/01/18/89/697011889.db2.gz OVZBLEWDHWXOBQ-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981385860 697081654 /nfs/dbraw/zinc/08/16/54/697081654.db2.gz PZWRMFUYFUYMLN-CVEARBPZSA-N 2 2 324.428 1.835 20 30 DDEDLP N#CCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789356358 699380996 /nfs/dbraw/zinc/38/09/96/699380996.db2.gz IGPHNIQBXQJWHX-UHFFFAOYSA-N 2 2 315.421 1.429 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC3(C)CCCC3)cn2)CC1 ZINC000793083554 699732623 /nfs/dbraw/zinc/73/26/23/699732623.db2.gz ASWQGLVSUTWFHS-UHFFFAOYSA-N 2 2 316.453 1.732 20 30 DDEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845626499 703184163 /nfs/dbraw/zinc/18/41/63/703184163.db2.gz VZTFGENIVLCGGR-DZGCQCFKSA-N 2 2 310.442 1.302 20 30 DDEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845626499 703184164 /nfs/dbraw/zinc/18/41/64/703184164.db2.gz VZTFGENIVLCGGR-DZGCQCFKSA-N 2 2 310.442 1.302 20 30 DDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852859402 704150683 /nfs/dbraw/zinc/15/06/83/704150683.db2.gz SNZQDORLCTYCKU-OAHLLOKOSA-N 2 2 302.422 1.417 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000855034071 704467222 /nfs/dbraw/zinc/46/72/22/704467222.db2.gz RRMDTLPTWDEIMX-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000884158230 708164852 /nfs/dbraw/zinc/16/48/52/708164852.db2.gz UZYKKRCRAZYJCU-OAHLLOKOSA-N 2 2 315.421 1.280 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000884158230 708164856 /nfs/dbraw/zinc/16/48/56/708164856.db2.gz UZYKKRCRAZYJCU-OAHLLOKOSA-N 2 2 315.421 1.280 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000923424997 714351868 /nfs/dbraw/zinc/35/18/68/714351868.db2.gz VWVPXXVEXQUZNC-MUIFIZLQSA-N 2 2 317.433 1.746 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1C ZINC000923424997 714351870 /nfs/dbraw/zinc/35/18/70/714351870.db2.gz VWVPXXVEXQUZNC-MUIFIZLQSA-N 2 2 317.433 1.746 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000959887171 716336046 /nfs/dbraw/zinc/33/60/46/716336046.db2.gz KRLCJEXKHNASCI-QLPKVWCKSA-N 2 2 310.401 1.879 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000959887171 716336050 /nfs/dbraw/zinc/33/60/50/716336050.db2.gz KRLCJEXKHNASCI-QLPKVWCKSA-N 2 2 310.401 1.879 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844034 716987045 /nfs/dbraw/zinc/98/70/45/716987045.db2.gz AINJMXCORFEQRW-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844034 716987047 /nfs/dbraw/zinc/98/70/47/716987047.db2.gz AINJMXCORFEQRW-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903077 718702670 /nfs/dbraw/zinc/70/26/70/718702670.db2.gz ASKIZRUMGHNDBP-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903077 718702673 /nfs/dbraw/zinc/70/26/73/718702673.db2.gz ASKIZRUMGHNDBP-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473853 719177425 /nfs/dbraw/zinc/17/74/25/719177425.db2.gz OTSIVYOAJGOJGJ-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473853 719177427 /nfs/dbraw/zinc/17/74/27/719177427.db2.gz OTSIVYOAJGOJGJ-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968896412 719850173 /nfs/dbraw/zinc/85/01/73/719850173.db2.gz PKCVBWZMHKOYNR-IRXDYDNUSA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968896412 719850177 /nfs/dbraw/zinc/85/01/77/719850177.db2.gz PKCVBWZMHKOYNR-IRXDYDNUSA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCF ZINC000968896412 719850184 /nfs/dbraw/zinc/85/01/84/719850184.db2.gz PKCVBWZMHKOYNR-IRXDYDNUSA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCF ZINC000968896412 719850192 /nfs/dbraw/zinc/85/01/92/719850192.db2.gz PKCVBWZMHKOYNR-IRXDYDNUSA-N 2 2 323.456 1.804 20 30 DDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000951366272 721004677 /nfs/dbraw/zinc/00/46/77/721004677.db2.gz VRORSZPOZBMKHD-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000951366272 721004683 /nfs/dbraw/zinc/00/46/83/721004683.db2.gz VRORSZPOZBMKHD-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602225 733359536 /nfs/dbraw/zinc/35/95/36/733359536.db2.gz GQLBKNJRDZTIID-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602225 733359542 /nfs/dbraw/zinc/35/95/42/733359542.db2.gz GQLBKNJRDZTIID-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602225 733359546 /nfs/dbraw/zinc/35/95/46/733359546.db2.gz GQLBKNJRDZTIID-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602225 733359551 /nfs/dbraw/zinc/35/95/51/733359551.db2.gz GQLBKNJRDZTIID-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367447 734389174 /nfs/dbraw/zinc/38/91/74/734389174.db2.gz UGASNMPGNXPQMY-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448979 735241004 /nfs/dbraw/zinc/24/10/04/735241004.db2.gz DKECMNIMTHXUPC-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448979 735241006 /nfs/dbraw/zinc/24/10/06/735241006.db2.gz DKECMNIMTHXUPC-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087307365 736014308 /nfs/dbraw/zinc/01/43/08/736014308.db2.gz YTCJPSQEMGHEEN-FVQBIDKESA-N 2 2 302.422 1.743 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087307365 736014309 /nfs/dbraw/zinc/01/43/09/736014309.db2.gz YTCJPSQEMGHEEN-FVQBIDKESA-N 2 2 302.422 1.743 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087307389 736014985 /nfs/dbraw/zinc/01/49/85/736014985.db2.gz YXXSOGSAGSVTSH-FVQBIDKESA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087307389 736014987 /nfs/dbraw/zinc/01/49/87/736014987.db2.gz YXXSOGSAGSVTSH-FVQBIDKESA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001026293427 737308839 /nfs/dbraw/zinc/30/88/39/737308839.db2.gz DKEAZWYDAZCCHP-ARFHVFGLSA-N 2 2 314.433 1.386 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966974 737420766 /nfs/dbraw/zinc/42/07/66/737420766.db2.gz LLYBUSHDGZSVRP-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001027446818 738301980 /nfs/dbraw/zinc/30/19/80/738301980.db2.gz SXQDVYYFGQJSQY-HOTGVXAUSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001027446818 738301986 /nfs/dbraw/zinc/30/19/86/738301986.db2.gz SXQDVYYFGQJSQY-HOTGVXAUSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=C)Cl)C1 ZINC001027446818 738301992 /nfs/dbraw/zinc/30/19/92/738301992.db2.gz SXQDVYYFGQJSQY-HOTGVXAUSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=C)Cl)C1 ZINC001027446818 738301997 /nfs/dbraw/zinc/30/19/97/738301997.db2.gz SXQDVYYFGQJSQY-HOTGVXAUSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139356 739082422 /nfs/dbraw/zinc/08/24/22/739082422.db2.gz MIRBBVXVRVYLOA-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139356 739082427 /nfs/dbraw/zinc/08/24/27/739082427.db2.gz MIRBBVXVRVYLOA-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001037883316 751531602 /nfs/dbraw/zinc/53/16/02/751531602.db2.gz SUHRGJKIYCXBTL-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035476868 751532558 /nfs/dbraw/zinc/53/25/58/751532558.db2.gz BVQNVBGOPDUHDK-IAGOWNOFSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035476868 751532560 /nfs/dbraw/zinc/53/25/60/751532560.db2.gz BVQNVBGOPDUHDK-IAGOWNOFSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035476868 751532561 /nfs/dbraw/zinc/53/25/61/751532561.db2.gz BVQNVBGOPDUHDK-IAGOWNOFSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035476868 751532563 /nfs/dbraw/zinc/53/25/63/751532563.db2.gz BVQNVBGOPDUHDK-IAGOWNOFSA-N 2 2 323.481 1.502 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001029342328 740582072 /nfs/dbraw/zinc/58/20/72/740582072.db2.gz JLMHNIWYQAGPPH-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001029342328 740582076 /nfs/dbraw/zinc/58/20/76/740582076.db2.gz JLMHNIWYQAGPPH-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001029342328 740582079 /nfs/dbraw/zinc/58/20/79/740582079.db2.gz JLMHNIWYQAGPPH-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001029342328 740582083 /nfs/dbraw/zinc/58/20/83/740582083.db2.gz JLMHNIWYQAGPPH-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000477 740938837 /nfs/dbraw/zinc/93/88/37/740938837.db2.gz IVXLPMPLFOIDNH-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000477 740938841 /nfs/dbraw/zinc/93/88/41/740938841.db2.gz IVXLPMPLFOIDNH-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000477 740938842 /nfs/dbraw/zinc/93/88/42/740938842.db2.gz IVXLPMPLFOIDNH-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000477 740938848 /nfs/dbraw/zinc/93/88/48/740938848.db2.gz IVXLPMPLFOIDNH-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088017957 740950599 /nfs/dbraw/zinc/95/05/99/740950599.db2.gz AICRIFGSNNXZOZ-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088017957 740950602 /nfs/dbraw/zinc/95/06/02/740950602.db2.gz AICRIFGSNNXZOZ-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001088334779 741405928 /nfs/dbraw/zinc/40/59/28/741405928.db2.gz PADWISPAODRMBP-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337503 741410253 /nfs/dbraw/zinc/41/02/53/741410253.db2.gz HGXYYPQDSHINRS-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674141 742069122 /nfs/dbraw/zinc/06/91/22/742069122.db2.gz ABQIDSAEFRMYFK-VYDXJSESSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674141 742069125 /nfs/dbraw/zinc/06/91/25/742069125.db2.gz ABQIDSAEFRMYFK-VYDXJSESSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966128 742288015 /nfs/dbraw/zinc/28/80/15/742288015.db2.gz PJSIHAFXDWYHHR-OWCLPIDISA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966128 742288019 /nfs/dbraw/zinc/28/80/19/742288019.db2.gz PJSIHAFXDWYHHR-OWCLPIDISA-N 2 2 314.433 1.554 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075966180 742288309 /nfs/dbraw/zinc/28/83/09/742288309.db2.gz RPAAAXFXYFPVRH-HRCADAONSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075966180 742288311 /nfs/dbraw/zinc/28/83/11/742288311.db2.gz RPAAAXFXYFPVRH-HRCADAONSA-N 2 2 312.417 1.002 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228804 742610557 /nfs/dbraw/zinc/61/05/57/742610557.db2.gz LDFVIHBRSBNJRJ-SQWLQELKSA-N 2 2 314.433 1.938 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181904317 743386505 /nfs/dbraw/zinc/38/65/05/743386505.db2.gz RCIMJSISSVZKFY-FZKQIMNGSA-N 2 2 310.401 1.884 20 30 DDEDLP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996760 743761607 /nfs/dbraw/zinc/76/16/07/743761607.db2.gz FYRQGTCOXJYYFF-RHSMWYFYSA-N 2 2 320.437 1.229 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035749255 751861938 /nfs/dbraw/zinc/86/19/38/751861938.db2.gz QVBJTYYFJXAQQC-UHFFFAOYSA-N 2 2 322.412 1.896 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035749878 751863664 /nfs/dbraw/zinc/86/36/64/751863664.db2.gz GLEIEVYCZFGFJA-UHFFFAOYSA-N 2 2 322.840 1.868 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185503205 744238462 /nfs/dbraw/zinc/23/84/62/744238462.db2.gz PSGZDUBTFAKDGY-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992396541 744852209 /nfs/dbraw/zinc/85/22/09/744852209.db2.gz MMBYBQDUGIQXJX-WBVHZDCISA-N 2 2 302.422 1.652 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992396541 744852211 /nfs/dbraw/zinc/85/22/11/744852211.db2.gz MMBYBQDUGIQXJX-WBVHZDCISA-N 2 2 302.422 1.652 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478759 745518228 /nfs/dbraw/zinc/51/82/28/745518228.db2.gz LKJXNCVAVKCOMW-OAHLLOKOSA-N 2 2 320.437 1.088 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478759 745518231 /nfs/dbraw/zinc/51/82/31/745518231.db2.gz LKJXNCVAVKCOMW-OAHLLOKOSA-N 2 2 320.437 1.088 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339861 745613189 /nfs/dbraw/zinc/61/31/89/745613189.db2.gz CNILGYNZDWKLSZ-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342728 745615887 /nfs/dbraw/zinc/61/58/87/745615887.db2.gz BLYMNGILZGOOIM-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001192848354 745914855 /nfs/dbraw/zinc/91/48/55/745914855.db2.gz VQGTXKXTVGAVBH-KRWDZBQOSA-N 2 2 324.428 1.741 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001192848354 745914858 /nfs/dbraw/zinc/91/48/58/745914858.db2.gz VQGTXKXTVGAVBH-KRWDZBQOSA-N 2 2 324.428 1.741 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993490331 746190203 /nfs/dbraw/zinc/19/02/03/746190203.db2.gz KOKVTXGTSMFETQ-LSDHHAIUSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993490331 746190207 /nfs/dbraw/zinc/19/02/07/746190207.db2.gz KOKVTXGTSMFETQ-LSDHHAIUSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193794980 746196836 /nfs/dbraw/zinc/19/68/36/746196836.db2.gz GVYLADFOAWMTBJ-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193794980 746196840 /nfs/dbraw/zinc/19/68/40/746196840.db2.gz GVYLADFOAWMTBJ-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993581586 746214140 /nfs/dbraw/zinc/21/41/40/746214140.db2.gz XXADYTDFTOSDMO-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993581586 746214146 /nfs/dbraw/zinc/21/41/46/746214146.db2.gz XXADYTDFTOSDMO-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031579696 747093641 /nfs/dbraw/zinc/09/36/41/747093641.db2.gz KEOVDJCHLDLXRD-OAHLLOKOSA-N 2 2 318.446 1.262 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031579696 747093649 /nfs/dbraw/zinc/09/36/49/747093649.db2.gz KEOVDJCHLDLXRD-OAHLLOKOSA-N 2 2 318.446 1.262 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454084 747177631 /nfs/dbraw/zinc/17/76/31/747177631.db2.gz LPTACMAIZJVHRP-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454084 747177633 /nfs/dbraw/zinc/17/76/33/747177633.db2.gz LPTACMAIZJVHRP-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549203 747196656 /nfs/dbraw/zinc/19/66/56/747196656.db2.gz VEOGIGVSCOZONA-AWEZNQCLSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549203 747196659 /nfs/dbraw/zinc/19/66/59/747196659.db2.gz VEOGIGVSCOZONA-AWEZNQCLSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001036115033 752184863 /nfs/dbraw/zinc/18/48/63/752184863.db2.gz JUSBCDKZYHUSEW-JSGCOSHPSA-N 2 2 324.856 1.932 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001036123891 752192396 /nfs/dbraw/zinc/19/23/96/752192396.db2.gz GJZNUODPCYKLDX-JSGCOSHPSA-N 2 2 310.829 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595487 748574096 /nfs/dbraw/zinc/57/40/96/748574096.db2.gz IFFSFBGMHXKIEM-KRWDZBQOSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595487 748574101 /nfs/dbraw/zinc/57/41/01/748574101.db2.gz IFFSFBGMHXKIEM-KRWDZBQOSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033194282 748859078 /nfs/dbraw/zinc/85/90/78/748859078.db2.gz ZCWFVLXJWSOZNN-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033194282 748859084 /nfs/dbraw/zinc/85/90/84/748859084.db2.gz ZCWFVLXJWSOZNN-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213284 748951089 /nfs/dbraw/zinc/95/10/89/748951089.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213284 748951096 /nfs/dbraw/zinc/95/10/96/748951096.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098747 749069008 /nfs/dbraw/zinc/06/90/08/749069008.db2.gz ZBXXZQGKEMGOAO-FUHWJXTLSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098747 749069013 /nfs/dbraw/zinc/06/90/13/749069013.db2.gz ZBXXZQGKEMGOAO-FUHWJXTLSA-N 2 2 321.465 1.254 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414551 749311024 /nfs/dbraw/zinc/31/10/24/749311024.db2.gz CPSBLXOGNJHDTK-JKSUJKDBSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414551 749311030 /nfs/dbraw/zinc/31/10/30/749311030.db2.gz CPSBLXOGNJHDTK-JKSUJKDBSA-N 2 2 314.433 1.310 20 30 DDEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137118047 749343161 /nfs/dbraw/zinc/34/31/61/749343161.db2.gz KLRLCDZGPVANCY-FUHWJXTLSA-N 2 2 315.417 1.741 20 30 DDEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137118047 749343168 /nfs/dbraw/zinc/34/31/68/749343168.db2.gz KLRLCDZGPVANCY-FUHWJXTLSA-N 2 2 315.417 1.741 20 30 DDEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137118047 749343174 /nfs/dbraw/zinc/34/31/74/749343174.db2.gz KLRLCDZGPVANCY-FUHWJXTLSA-N 2 2 315.417 1.741 20 30 DDEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2C1 ZINC001137118047 749343182 /nfs/dbraw/zinc/34/31/82/749343182.db2.gz KLRLCDZGPVANCY-FUHWJXTLSA-N 2 2 315.417 1.741 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033429900 749351464 /nfs/dbraw/zinc/35/14/64/749351464.db2.gz MJGRGUQJHHPEKX-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033429900 749351470 /nfs/dbraw/zinc/35/14/70/749351470.db2.gz MJGRGUQJHHPEKX-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033544588 749521197 /nfs/dbraw/zinc/52/11/97/749521197.db2.gz LASRUXHYIYQGMK-QGZVFWFLSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033544588 749521203 /nfs/dbraw/zinc/52/12/03/749521203.db2.gz LASRUXHYIYQGMK-QGZVFWFLSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878123 750018754 /nfs/dbraw/zinc/01/87/54/750018754.db2.gz NQQKFIVXRSKSTI-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878123 750018760 /nfs/dbraw/zinc/01/87/60/750018760.db2.gz NQQKFIVXRSKSTI-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033879205 750041586 /nfs/dbraw/zinc/04/15/86/750041586.db2.gz XYDKQBJMXZLEPO-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033879205 750041595 /nfs/dbraw/zinc/04/15/95/750041595.db2.gz XYDKQBJMXZLEPO-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039415069 762012849 /nfs/dbraw/zinc/01/28/49/762012849.db2.gz NBXNYNZQOIRCOT-CVEARBPZSA-N 2 2 300.406 1.362 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039415069 762012860 /nfs/dbraw/zinc/01/28/60/762012860.db2.gz NBXNYNZQOIRCOT-CVEARBPZSA-N 2 2 300.406 1.362 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005618230 750708625 /nfs/dbraw/zinc/70/86/25/750708625.db2.gz PSTGNBMLLYJBQH-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999216142 752663000 /nfs/dbraw/zinc/66/30/00/752663000.db2.gz OCBKDPFNRIMQNA-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032711989 752816191 /nfs/dbraw/zinc/81/61/91/752816191.db2.gz AICCFGPAEIUNRX-ROUUACIJSA-N 2 2 320.396 1.794 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032711989 752816195 /nfs/dbraw/zinc/81/61/95/752816195.db2.gz AICCFGPAEIUNRX-ROUUACIJSA-N 2 2 320.396 1.794 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001009711006 753319490 /nfs/dbraw/zinc/31/94/90/753319490.db2.gz URKFSSZDYILGOP-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001009711006 753319493 /nfs/dbraw/zinc/31/94/93/753319493.db2.gz URKFSSZDYILGOP-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032803307 754116757 /nfs/dbraw/zinc/11/67/57/754116757.db2.gz PZXFFAFBBTYGTG-OKZBNKHCSA-N 2 2 311.429 1.598 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032803307 754116760 /nfs/dbraw/zinc/11/67/60/754116760.db2.gz PZXFFAFBBTYGTG-OKZBNKHCSA-N 2 2 311.429 1.598 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078776612 754375041 /nfs/dbraw/zinc/37/50/41/754375041.db2.gz OHKWAZWBLVGTEV-KGLIPLIRSA-N 2 2 322.840 1.732 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015012750 756070978 /nfs/dbraw/zinc/07/09/78/756070978.db2.gz GQUYGDBCMQLDBF-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015012750 756070984 /nfs/dbraw/zinc/07/09/84/756070984.db2.gz GQUYGDBCMQLDBF-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015012750 756070989 /nfs/dbraw/zinc/07/09/89/756070989.db2.gz GQUYGDBCMQLDBF-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015012750 756070995 /nfs/dbraw/zinc/07/09/95/756070995.db2.gz GQUYGDBCMQLDBF-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001080767450 756089486 /nfs/dbraw/zinc/08/94/86/756089486.db2.gz DUKPFHFHBKPVRG-CZUORRHYSA-N 2 2 311.389 1.503 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001080767450 756089490 /nfs/dbraw/zinc/08/94/90/756089490.db2.gz DUKPFHFHBKPVRG-CZUORRHYSA-N 2 2 311.389 1.503 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082946933 756974473 /nfs/dbraw/zinc/97/44/73/756974473.db2.gz XGEQYKMDMDQBOA-DJIMGWMZSA-N 2 2 316.449 1.697 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC[NH+](C)CC1)O2 ZINC001053658030 758671831 /nfs/dbraw/zinc/67/18/31/758671831.db2.gz PDKBOMLOHXUDBK-MRXNPFEDSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053846728 758878319 /nfs/dbraw/zinc/87/83/19/758878319.db2.gz MTORWUUDRGDUJT-HOTGVXAUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053846728 758878328 /nfs/dbraw/zinc/87/83/28/758878328.db2.gz MTORWUUDRGDUJT-HOTGVXAUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054015673 759064072 /nfs/dbraw/zinc/06/40/72/759064072.db2.gz MYVIGGLJNSNVEJ-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054015673 759064081 /nfs/dbraw/zinc/06/40/81/759064081.db2.gz MYVIGGLJNSNVEJ-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235063 759325421 /nfs/dbraw/zinc/32/54/21/759325421.db2.gz OTLOZVBRZKCHSX-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001054235063 759325429 /nfs/dbraw/zinc/32/54/29/759325429.db2.gz OTLOZVBRZKCHSX-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596696 759805647 /nfs/dbraw/zinc/80/56/47/759805647.db2.gz HRNCWEDHIPWOED-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596696 759805653 /nfs/dbraw/zinc/80/56/53/759805653.db2.gz HRNCWEDHIPWOED-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681665 759997726 /nfs/dbraw/zinc/99/77/26/759997726.db2.gz CNJGTWUKIVEVPV-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681665 759997730 /nfs/dbraw/zinc/99/77/30/759997730.db2.gz CNJGTWUKIVEVPV-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681665 759997732 /nfs/dbraw/zinc/99/77/32/759997732.db2.gz CNJGTWUKIVEVPV-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681665 759997735 /nfs/dbraw/zinc/99/77/35/759997735.db2.gz CNJGTWUKIVEVPV-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682215 760000513 /nfs/dbraw/zinc/00/05/13/760000513.db2.gz PKGJQEYQGPPGFR-GDBMZVCRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682215 760000524 /nfs/dbraw/zinc/00/05/24/760000524.db2.gz PKGJQEYQGPPGFR-GDBMZVCRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001020316610 760787737 /nfs/dbraw/zinc/78/77/37/760787737.db2.gz PMVQOOMTJDPWAR-AVGNSLFASA-N 2 2 322.840 1.812 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001020316610 760787744 /nfs/dbraw/zinc/78/77/44/760787744.db2.gz PMVQOOMTJDPWAR-AVGNSLFASA-N 2 2 322.840 1.812 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038423986 761106845 /nfs/dbraw/zinc/10/68/45/761106845.db2.gz IPEZSGZTRBOWAF-HOCLYGCPSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038423986 761106848 /nfs/dbraw/zinc/10/68/48/761106848.db2.gz IPEZSGZTRBOWAF-HOCLYGCPSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475041 761678372 /nfs/dbraw/zinc/67/83/72/761678372.db2.gz HWALRVCUKMJWCW-MGPQQGTHSA-N 2 2 302.422 1.890 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001108807200 762957477 /nfs/dbraw/zinc/95/74/77/762957477.db2.gz AFJGEYBVGMUKFA-ZOBUZTSGSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001001563563 762963315 /nfs/dbraw/zinc/96/33/15/762963315.db2.gz QPBKJWNHGAGHTM-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524046 763103312 /nfs/dbraw/zinc/10/33/12/763103312.db2.gz RKXZWFPMLJDUQR-QGZVFWFLSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524046 763103318 /nfs/dbraw/zinc/10/33/18/763103318.db2.gz RKXZWFPMLJDUQR-QGZVFWFLSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081404 763106249 /nfs/dbraw/zinc/10/62/49/763106249.db2.gz WLERLNKPPUMYPY-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081404 763106254 /nfs/dbraw/zinc/10/62/54/763106254.db2.gz WLERLNKPPUMYPY-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050096750 763129359 /nfs/dbraw/zinc/12/93/59/763129359.db2.gz WJJZJIGXQAKXFJ-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050096750 763129365 /nfs/dbraw/zinc/12/93/65/763129365.db2.gz WJJZJIGXQAKXFJ-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102148 763135893 /nfs/dbraw/zinc/13/58/93/763135893.db2.gz MGTPSOVFBPAUHA-JKSUJKDBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102148 763135901 /nfs/dbraw/zinc/13/59/01/763135901.db2.gz MGTPSOVFBPAUHA-JKSUJKDBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001050745151 763991104 /nfs/dbraw/zinc/99/11/04/763991104.db2.gz BUQRUNCTLCOTKT-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001042758845 764420025 /nfs/dbraw/zinc/42/00/25/764420025.db2.gz YRLGCSYGQUJOJH-UHFFFAOYSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057386 765192036 /nfs/dbraw/zinc/19/20/36/765192036.db2.gz PDLUBIGGECVWSF-KRWDZBQOSA-N 2 2 323.481 1.454 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057386 765192039 /nfs/dbraw/zinc/19/20/39/765192039.db2.gz PDLUBIGGECVWSF-KRWDZBQOSA-N 2 2 323.481 1.454 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052490978 765881427 /nfs/dbraw/zinc/88/14/27/765881427.db2.gz YFSZQCLMCXVEMQ-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052490978 765881430 /nfs/dbraw/zinc/88/14/30/765881430.db2.gz YFSZQCLMCXVEMQ-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046609555 767736188 /nfs/dbraw/zinc/73/61/88/767736188.db2.gz JPTHIYOTZQWANH-CXAGYDPISA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046609555 767736193 /nfs/dbraw/zinc/73/61/93/767736193.db2.gz JPTHIYOTZQWANH-CXAGYDPISA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781717 769189596 /nfs/dbraw/zinc/18/95/96/769189596.db2.gz FIJKUYQFJKYFSZ-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242278 769621044 /nfs/dbraw/zinc/62/10/44/769621044.db2.gz QATXBUXWYZRXPR-UONOGXRCSA-N 2 2 304.438 1.948 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071608438 769709206 /nfs/dbraw/zinc/70/92/06/769709206.db2.gz YGSXMLZTNKFNBO-JKSUJKDBSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071608438 769709216 /nfs/dbraw/zinc/70/92/16/769709216.db2.gz YGSXMLZTNKFNBO-JKSUJKDBSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133353988 769736352 /nfs/dbraw/zinc/73/63/52/769736352.db2.gz KLBGSHVVWNUNNR-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628533 769745359 /nfs/dbraw/zinc/74/53/59/769745359.db2.gz QQAXVFCBGYFTFO-STQMWFEESA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628533 769745369 /nfs/dbraw/zinc/74/53/69/769745369.db2.gz QQAXVFCBGYFTFO-STQMWFEESA-N 2 2 306.410 1.505 20 30 DDEDLP C[C@H](CC(=O)NCC[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001134498527 771029222 /nfs/dbraw/zinc/02/92/22/771029222.db2.gz IYDRCXOWGHUPQG-GFCCVEGCSA-N 2 2 317.418 1.673 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758412 771137575 /nfs/dbraw/zinc/13/75/75/771137575.db2.gz KTPPJGOJYZRVCQ-GVDBMIGSSA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758412 771137576 /nfs/dbraw/zinc/13/75/76/771137576.db2.gz KTPPJGOJYZRVCQ-GVDBMIGSSA-N 2 2 314.433 1.923 20 30 DDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730407 771145004 /nfs/dbraw/zinc/14/50/04/771145004.db2.gz WOVUCYHGXXKNGM-ZIAGYGMSSA-N 2 2 304.438 1.823 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151349 772444185 /nfs/dbraw/zinc/44/41/85/772444185.db2.gz HYXIGQVXKLIRDK-HNNXBMFYSA-N 2 2 322.453 1.810 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151349 772444189 /nfs/dbraw/zinc/44/41/89/772444189.db2.gz HYXIGQVXKLIRDK-HNNXBMFYSA-N 2 2 322.453 1.810 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001091322999 772689299 /nfs/dbraw/zinc/68/92/99/772689299.db2.gz XPLFLCNIHNDULO-UHFFFAOYSA-N 2 2 311.389 1.551 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091754579 773629840 /nfs/dbraw/zinc/62/98/40/773629840.db2.gz UVKYZVAAZYAIQN-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091754579 773629845 /nfs/dbraw/zinc/62/98/45/773629845.db2.gz UVKYZVAAZYAIQN-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091754579 773629849 /nfs/dbraw/zinc/62/98/49/773629849.db2.gz UVKYZVAAZYAIQN-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091754579 773629852 /nfs/dbraw/zinc/62/98/52/773629852.db2.gz UVKYZVAAZYAIQN-ADAWSYLGSA-N 2 2 312.417 1.317 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597276 774902368 /nfs/dbraw/zinc/90/23/68/774902368.db2.gz YQDMTQNZYFSGPI-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597276 774902370 /nfs/dbraw/zinc/90/23/70/774902370.db2.gz YQDMTQNZYFSGPI-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[NH+]1CC(OC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001093602488 774906294 /nfs/dbraw/zinc/90/62/94/774906294.db2.gz FUYFVZOKUIZPPG-UHFFFAOYSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577741 776351539 /nfs/dbraw/zinc/35/15/39/776351539.db2.gz WEBSBLCSVLPORX-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039375 776848998 /nfs/dbraw/zinc/84/89/98/776848998.db2.gz IUZGCCXXKNVCEE-PREGVCBESA-N 2 2 316.449 1.745 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927114 777688817 /nfs/dbraw/zinc/68/88/17/777688817.db2.gz ZLJJZTPMQLVLQL-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927114 777688822 /nfs/dbraw/zinc/68/88/22/777688822.db2.gz ZLJJZTPMQLVLQL-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115316786 780032439 /nfs/dbraw/zinc/03/24/39/780032439.db2.gz YNNANFFSZXZLSY-HZMVEIRTSA-N 2 2 314.433 1.307 20 30 DDEDLP 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DDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001270166166 842349938 /nfs/dbraw/zinc/34/99/38/842349938.db2.gz SXJQRFVAJSLDJQ-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001271753718 843841055 /nfs/dbraw/zinc/84/10/55/843841055.db2.gz ZQSLIQZYIHUKKO-DOTOQJQBSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001272471099 846171115 /nfs/dbraw/zinc/17/11/15/846171115.db2.gz SLAXPIUETLNMDO-ZIAGYGMSSA-N 2 2 316.405 1.369 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001272734040 846735225 /nfs/dbraw/zinc/73/52/25/846735225.db2.gz IZWCHXDZACNTKW-SHTZXODSSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001272734040 846735237 /nfs/dbraw/zinc/73/52/37/846735237.db2.gz IZWCHXDZACNTKW-SHTZXODSSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997082087 847299931 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C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001275805572 853792442 /nfs/dbraw/zinc/79/24/42/853792442.db2.gz KZJQPLUKGGKZEK-GOEBONIOSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328255362 862828812 /nfs/dbraw/zinc/82/88/12/862828812.db2.gz HXUYXVYSGICYRH-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328255362 862828829 /nfs/dbraw/zinc/82/88/29/862828829.db2.gz HXUYXVYSGICYRH-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328255362 862828847 /nfs/dbraw/zinc/82/88/47/862828847.db2.gz HXUYXVYSGICYRH-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328255362 862828864 /nfs/dbraw/zinc/82/88/64/862828864.db2.gz HXUYXVYSGICYRH-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014445 860596137 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20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001331224431 864950969 /nfs/dbraw/zinc/95/09/69/864950969.db2.gz SPWYFDPUMBXZLR-GDBMZVCRSA-N 2 2 304.438 1.732 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001331224431 864950971 /nfs/dbraw/zinc/95/09/71/864950971.db2.gz SPWYFDPUMBXZLR-GDBMZVCRSA-N 2 2 304.438 1.732 20 30 DDEDLP CC#CC[N@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001319999873 866424595 /nfs/dbraw/zinc/42/45/95/866424595.db2.gz SOMKTYOGCDBBTP-INIZCTEOSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001319999873 866424605 /nfs/dbraw/zinc/42/46/05/866424605.db2.gz SOMKTYOGCDBBTP-INIZCTEOSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001319999873 866424617 /nfs/dbraw/zinc/42/46/17/866424617.db2.gz SOMKTYOGCDBBTP-INIZCTEOSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001319999873 866424625 /nfs/dbraw/zinc/42/46/25/866424625.db2.gz SOMKTYOGCDBBTP-INIZCTEOSA-N 2 2 317.437 1.204 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)(COC)CC1 ZINC001162235986 867369399 /nfs/dbraw/zinc/36/93/99/867369399.db2.gz KWDXSBIQGBTNBD-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001325633291 868201280 /nfs/dbraw/zinc/20/12/80/868201280.db2.gz XMRCXGWRYBRSPZ-MUJYYYPQSA-N 2 2 302.422 1.818 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001325633291 868201300 /nfs/dbraw/zinc/20/13/00/868201300.db2.gz XMRCXGWRYBRSPZ-MUJYYYPQSA-N 2 2 302.422 1.818 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001325661806 868227522 /nfs/dbraw/zinc/22/75/22/868227522.db2.gz HRWKEZARWILHTF-WKILWMFISA-N 2 2 316.449 1.498 20 30 DDEDLP N#CCc1cc[nH+]c(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)c1 ZINC001163457040 868464660 /nfs/dbraw/zinc/46/46/60/868464660.db2.gz GIQYEQZWQOPGRY-HNNXBMFYSA-N 2 2 315.421 1.680 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317001827 870106586 /nfs/dbraw/zinc/10/65/86/870106586.db2.gz MZNZUPVWCSFNRA-UKRRQHHQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317001827 870106597 /nfs/dbraw/zinc/10/65/97/870106597.db2.gz MZNZUPVWCSFNRA-UKRRQHHQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203537060 870626498 /nfs/dbraw/zinc/62/64/98/870626498.db2.gz BNGHLBXXNCHFLM-KBPBESRZSA-N 2 2 318.421 1.172 20 30 DDEDLP C=CCCC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318041097 871706700 /nfs/dbraw/zinc/70/67/00/871706700.db2.gz HEBXLQUSMYXQBY-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001316938387 871853588 /nfs/dbraw/zinc/85/35/88/871853588.db2.gz XQGCYDBFAQVASZ-UHFFFAOYSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238123 872154601 /nfs/dbraw/zinc/15/46/01/872154601.db2.gz HHUVLIHFZIEJRA-OAHLLOKOSA-N 2 2 314.433 1.681 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316879721 872194983 /nfs/dbraw/zinc/19/49/83/872194983.db2.gz KSIQBBXHYMIRGN-GDBMZVCRSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319311750 872563735 /nfs/dbraw/zinc/56/37/35/872563735.db2.gz XKAWXTWTIQGMMJ-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319311750 872563742 /nfs/dbraw/zinc/56/37/42/872563742.db2.gz XKAWXTWTIQGMMJ-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001319362778 872597050 /nfs/dbraw/zinc/59/70/50/872597050.db2.gz KHSSJZRGQYBBHZ-CQSZACIVSA-N 2 2 300.406 1.097 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450960 874152860 /nfs/dbraw/zinc/15/28/60/874152860.db2.gz OPZXGOBTEMJWRK-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453381 874157781 /nfs/dbraw/zinc/15/77/81/874157781.db2.gz FYWYOPXCEQITSU-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729803 875082187 /nfs/dbraw/zinc/08/21/87/875082187.db2.gz CWNHKXCBFJKVOQ-DOTOQJQBSA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729803 875082200 /nfs/dbraw/zinc/08/22/00/875082200.db2.gz CWNHKXCBFJKVOQ-DOTOQJQBSA-N 2 2 303.406 1.820 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218205557 877416551 /nfs/dbraw/zinc/41/65/51/877416551.db2.gz YKRLWVZZEXLMLG-RHSMWYFYSA-N 3 2 300.406 1.100 20 30 DDEDLP C[C@@H]1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H](C)N1CC#N ZINC001353605192 877444448 /nfs/dbraw/zinc/44/44/48/877444448.db2.gz JAPRJKLNWWGIAI-HUUCEWRRSA-N 2 2 310.405 1.685 20 30 DDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218952630 877828244 /nfs/dbraw/zinc/82/82/44/877828244.db2.gz AONZZJVXMSMFBE-GYSYKLTISA-N 2 2 324.306 1.737 20 30 DDEDLP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230591812 884628899 /nfs/dbraw/zinc/62/88/99/884628899.db2.gz KGDOAZPCWRVPFB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230591812 884628909 /nfs/dbraw/zinc/62/89/09/884628909.db2.gz KGDOAZPCWRVPFB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCF ZINC001235453853 888654399 /nfs/dbraw/zinc/65/43/99/888654399.db2.gz HJIHAXYBTXNRRH-SJORKVTESA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCF ZINC001235453853 888654407 /nfs/dbraw/zinc/65/44/07/888654407.db2.gz HJIHAXYBTXNRRH-SJORKVTESA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCF ZINC001235453853 888654414 /nfs/dbraw/zinc/65/44/14/888654414.db2.gz HJIHAXYBTXNRRH-SJORKVTESA-N 2 2 323.456 1.757 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCF ZINC001235453853 888654422 /nfs/dbraw/zinc/65/44/22/888654422.db2.gz HJIHAXYBTXNRRH-SJORKVTESA-N 2 2 323.456 1.757 20 30 DDEDLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)CC[NH2+]1 ZINC001246596827 892723344 /nfs/dbraw/zinc/72/33/44/892723344.db2.gz YUZJTZKKDCPMJS-INMHGKMJSA-N 2 2 302.397 1.725 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006886 897798881 /nfs/dbraw/zinc/79/88/81/897798881.db2.gz RZGULNHXUJNGOE-JKSUJKDBSA-N 2 2 316.449 1.777 20 30 DDEDLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC001390871497 900406041 /nfs/dbraw/zinc/40/60/41/900406041.db2.gz CLUZTHAJDMXQMP-UHFFFAOYSA-N 2 2 315.352 1.142 20 30 DDEDLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC001390871497 900406053 /nfs/dbraw/zinc/40/60/53/900406053.db2.gz CLUZTHAJDMXQMP-UHFFFAOYSA-N 2 2 315.352 1.142 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001263102195 900500842 /nfs/dbraw/zinc/50/08/42/900500842.db2.gz NQNWQRPAWYCJOK-ZDUSSCGKSA-N 2 2 303.397 1.858 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001263102195 900500848 /nfs/dbraw/zinc/50/08/48/900500848.db2.gz NQNWQRPAWYCJOK-ZDUSSCGKSA-N 2 2 303.397 1.858 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001265489558 902066183 /nfs/dbraw/zinc/06/61/83/902066183.db2.gz KWUXLQDRHVHVPI-WKILWMFISA-N 2 2 308.385 1.746 20 30 DDEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001280488203 903729861 /nfs/dbraw/zinc/72/98/61/903729861.db2.gz OFOVEMOPUVOHDN-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281021525 904325639 /nfs/dbraw/zinc/32/56/39/904325639.db2.gz OTOBKDUNIGNMTJ-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cnoc1C ZINC001282402075 905749037 /nfs/dbraw/zinc/74/90/37/905749037.db2.gz LWWBZPQKDDRXBP-BBRMVZONSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cnoc1C ZINC001282402075 905749046 /nfs/dbraw/zinc/74/90/46/905749046.db2.gz LWWBZPQKDDRXBP-BBRMVZONSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cnoc1C ZINC001282402075 905749057 /nfs/dbraw/zinc/74/90/57/905749057.db2.gz LWWBZPQKDDRXBP-BBRMVZONSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cnoc1C ZINC001282402075 905749065 /nfs/dbraw/zinc/74/90/65/905749065.db2.gz LWWBZPQKDDRXBP-BBRMVZONSA-N 2 2 318.421 1.017 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001282833761 906080647 /nfs/dbraw/zinc/08/06/47/906080647.db2.gz MMNFNIIYSVLZFQ-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001282833761 906080667 /nfs/dbraw/zinc/08/06/67/906080667.db2.gz MMNFNIIYSVLZFQ-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001393984201 908455054 /nfs/dbraw/zinc/45/50/54/908455054.db2.gz LWKJXABBGAAXJL-QWHCGFSZSA-N 2 2 311.389 1.507 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC001284155809 908561747 /nfs/dbraw/zinc/56/17/47/908561747.db2.gz WKPGWLYUGSGIEZ-QGZVFWFLSA-N 2 2 324.428 1.683 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397631545 916553762 /nfs/dbraw/zinc/55/37/62/916553762.db2.gz LWQIPCVHIUUFJF-AKAXFMLLSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CCCn1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)nn1 ZINC000623089743 365651128 /nfs/dbraw/zinc/65/11/28/365651128.db2.gz WBLBGHJAVYXQIT-UHFFFAOYSA-N 2 2 313.396 1.921 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505400 356522477 /nfs/dbraw/zinc/52/24/77/356522477.db2.gz SSYMAVPVMYDIGQ-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505400 356522479 /nfs/dbraw/zinc/52/24/79/356522479.db2.gz SSYMAVPVMYDIGQ-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505400 356522483 /nfs/dbraw/zinc/52/24/83/356522483.db2.gz SSYMAVPVMYDIGQ-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505400 356522488 /nfs/dbraw/zinc/52/24/88/356522488.db2.gz SSYMAVPVMYDIGQ-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287642 357876336 /nfs/dbraw/zinc/87/63/36/357876336.db2.gz MPKLKEBZOXCDSA-HZPDHXFCSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287642 357876339 /nfs/dbraw/zinc/87/63/39/357876339.db2.gz MPKLKEBZOXCDSA-HZPDHXFCSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328870 357895773 /nfs/dbraw/zinc/89/57/73/357895773.db2.gz APCOXDANWJBWCZ-CABCVRRESA-N 2 2 318.421 1.660 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328870 357895775 /nfs/dbraw/zinc/89/57/75/357895775.db2.gz APCOXDANWJBWCZ-CABCVRRESA-N 2 2 318.421 1.660 20 30 DDEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894833 359278016 /nfs/dbraw/zinc/27/80/16/359278016.db2.gz ZCKQMGOJMCAZIK-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894833 359278018 /nfs/dbraw/zinc/27/80/18/359278018.db2.gz ZCKQMGOJMCAZIK-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609258422 360278817 /nfs/dbraw/zinc/27/88/17/360278817.db2.gz UPUCPORIKQDZTQ-QGZVFWFLSA-N 2 2 323.400 1.708 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609258422 360278821 /nfs/dbraw/zinc/27/88/21/360278821.db2.gz UPUCPORIKQDZTQ-QGZVFWFLSA-N 2 2 323.400 1.708 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611211142 360661110 /nfs/dbraw/zinc/66/11/10/360661110.db2.gz GLNVZJNRBGUBBN-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000611211142 360661115 /nfs/dbraw/zinc/66/11/15/360661115.db2.gz GLNVZJNRBGUBBN-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C=C[C@H](C(=O)OC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000619719532 364130975 /nfs/dbraw/zinc/13/09/75/364130975.db2.gz HQFXVDMYUWOPJN-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000567678619 304233914 /nfs/dbraw/zinc/23/39/14/304233914.db2.gz XMRFMYBZJYSSDA-JKIFEVAISA-N 2 2 303.406 1.118 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000567678619 304233916 /nfs/dbraw/zinc/23/39/16/304233916.db2.gz XMRFMYBZJYSSDA-JKIFEVAISA-N 2 2 303.406 1.118 20 30 DDEDLP COCCNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277255044 285004571 /nfs/dbraw/zinc/00/45/71/285004571.db2.gz IIZLULKCHLBJOY-HNNXBMFYSA-N 2 2 322.478 1.155 20 30 DDEDLP COCCNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277255044 285004574 /nfs/dbraw/zinc/00/45/74/285004574.db2.gz IIZLULKCHLBJOY-HNNXBMFYSA-N 2 2 322.478 1.155 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322173 406908214 /nfs/dbraw/zinc/90/82/14/406908214.db2.gz AADMXHLRRHGHOZ-UHFFFAOYSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322173 406908219 /nfs/dbraw/zinc/90/82/19/406908219.db2.gz AADMXHLRRHGHOZ-UHFFFAOYSA-N 2 2 301.434 1.885 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371989 407374384 /nfs/dbraw/zinc/37/43/84/407374384.db2.gz YNDQZQMAAHDICH-QGZVFWFLSA-N 2 2 322.497 1.123 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371989 407374386 /nfs/dbraw/zinc/37/43/86/407374386.db2.gz YNDQZQMAAHDICH-QGZVFWFLSA-N 2 2 322.497 1.123 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151737656 407489529 /nfs/dbraw/zinc/48/95/29/407489529.db2.gz OVFBJLWBFYBXDR-AWEZNQCLSA-N 2 2 303.410 1.139 20 30 DDEDLP Cc1nnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)s1 ZINC000271423879 407679323 /nfs/dbraw/zinc/67/93/23/407679323.db2.gz CHLOCFXROGIGJT-UHFFFAOYSA-N 2 2 305.407 1.745 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157010661 408285216 /nfs/dbraw/zinc/28/52/16/408285216.db2.gz STOQBIASXSOMTA-WBVHZDCISA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010661 408285219 /nfs/dbraw/zinc/28/52/19/408285219.db2.gz STOQBIASXSOMTA-WBVHZDCISA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010661 408285224 /nfs/dbraw/zinc/28/52/24/408285224.db2.gz STOQBIASXSOMTA-WBVHZDCISA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010661 408285230 /nfs/dbraw/zinc/28/52/30/408285230.db2.gz STOQBIASXSOMTA-WBVHZDCISA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285784493 408863030 /nfs/dbraw/zinc/86/30/30/408863030.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 2 2 320.437 1.794 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285784493 408863032 /nfs/dbraw/zinc/86/30/32/408863032.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 2 2 320.437 1.794 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285784493 408863036 /nfs/dbraw/zinc/86/30/36/408863036.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 2 2 320.437 1.794 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000292660209 409038800 /nfs/dbraw/zinc/03/88/00/409038800.db2.gz LOPKFNNERRMHMO-UHFFFAOYSA-N 2 2 318.421 1.930 20 30 DDEDLP C[C@@H]1C[N@H+](CCCSCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360691927 418492737 /nfs/dbraw/zinc/49/27/37/418492737.db2.gz NQVJVAHDHNHJEY-HZPDHXFCSA-N 2 2 310.511 1.591 20 30 DDEDLP C[C@@H]1C[N@@H+](CCCSCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360691927 418492738 /nfs/dbraw/zinc/49/27/38/418492738.db2.gz NQVJVAHDHNHJEY-HZPDHXFCSA-N 2 2 310.511 1.591 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264068767 222313252 /nfs/dbraw/zinc/31/32/52/222313252.db2.gz CMYMIORXHXWNSO-HZPDHXFCSA-N 2 2 317.481 1.900 20 30 DDEDLP CCCc1nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)no1 ZINC000267001965 222366431 /nfs/dbraw/zinc/36/64/31/222366431.db2.gz HUDDUVPFSOKKJN-UHFFFAOYSA-N 2 2 317.393 1.921 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291862 418775687 /nfs/dbraw/zinc/77/56/87/418775687.db2.gz ACLKQGFSTASJRR-BRWVUGGUSA-N 2 2 321.465 1.371 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291862 418775688 /nfs/dbraw/zinc/77/56/88/418775688.db2.gz ACLKQGFSTASJRR-BRWVUGGUSA-N 2 2 321.465 1.371 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373073955 418926933 /nfs/dbraw/zinc/92/69/33/418926933.db2.gz IGFSUZIOEWONPO-INIZCTEOSA-N 2 2 314.433 1.471 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211305 421684847 /nfs/dbraw/zinc/68/48/47/421684847.db2.gz PZDSKQHSGOITNT-HOTGVXAUSA-N 2 2 324.384 1.995 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211305 421684850 /nfs/dbraw/zinc/68/48/50/421684850.db2.gz PZDSKQHSGOITNT-HOTGVXAUSA-N 2 2 324.384 1.995 20 30 DDEDLP N#Cc1cccc(OCCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000581048353 421888157 /nfs/dbraw/zinc/88/81/57/421888157.db2.gz PELZSGPOAVFVEZ-UHFFFAOYSA-N 2 2 311.389 1.872 20 30 DDEDLP C=CCC1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000661851250 424233931 /nfs/dbraw/zinc/23/39/31/424233931.db2.gz OPMZAGVBYOCYRZ-UHFFFAOYSA-N 2 2 323.481 1.692 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000377672951 267052485 /nfs/dbraw/zinc/05/24/85/267052485.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000377672951 267052488 /nfs/dbraw/zinc/05/24/88/267052488.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377672951 267052490 /nfs/dbraw/zinc/05/24/90/267052490.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377672951 267052492 /nfs/dbraw/zinc/05/24/92/267052492.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 2 315.465 1.497 20 30 DDEDLP COC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539497536 307681032 /nfs/dbraw/zinc/68/10/32/307681032.db2.gz YKVJQGGUEJEMJO-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP N#CCC(=O)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000570104564 332712863 /nfs/dbraw/zinc/71/28/63/332712863.db2.gz LWEABRYKNIIBKZ-UHFFFAOYSA-N 2 2 309.373 1.430 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000526055954 333079221 /nfs/dbraw/zinc/07/92/21/333079221.db2.gz RJEDWTBZYJKQCG-GJZGRUSLSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000526055954 333079222 /nfs/dbraw/zinc/07/92/22/333079222.db2.gz RJEDWTBZYJKQCG-GJZGRUSLSA-N 2 2 304.438 1.355 20 30 DDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459465593 339030731 /nfs/dbraw/zinc/03/07/31/339030731.db2.gz NJGZDPRMTNJNNB-GDBMZVCRSA-N 2 2 316.405 1.206 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100722 526769701 /nfs/dbraw/zinc/76/97/01/526769701.db2.gz STDJBGLQECVOCX-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100722 526769707 /nfs/dbraw/zinc/76/97/07/526769707.db2.gz STDJBGLQECVOCX-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000339100722 526769712 /nfs/dbraw/zinc/76/97/12/526769712.db2.gz STDJBGLQECVOCX-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000339100722 526769715 /nfs/dbraw/zinc/76/97/15/526769715.db2.gz STDJBGLQECVOCX-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491761975 526829344 /nfs/dbraw/zinc/82/93/44/526829344.db2.gz YNNGHFBFHSXVFE-CABCVRRESA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491761975 526829349 /nfs/dbraw/zinc/82/93/49/526829349.db2.gz YNNGHFBFHSXVFE-CABCVRRESA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491761975 526829351 /nfs/dbraw/zinc/82/93/51/526829351.db2.gz YNNGHFBFHSXVFE-CABCVRRESA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491761975 526829352 /nfs/dbraw/zinc/82/93/52/526829352.db2.gz YNNGHFBFHSXVFE-CABCVRRESA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](CC#CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490680031 526863926 /nfs/dbraw/zinc/86/39/26/526863926.db2.gz XDOXVHLKFHGMFA-UHFFFAOYSA-N 2 2 324.428 1.079 20 30 DDEDLP C#CC[N@@H+](CC#CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490680031 526863930 /nfs/dbraw/zinc/86/39/30/526863930.db2.gz XDOXVHLKFHGMFA-UHFFFAOYSA-N 2 2 324.428 1.079 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000490874639 526922932 /nfs/dbraw/zinc/92/29/32/526922932.db2.gz NCKPRIQPWROGMH-HNNXBMFYSA-N 2 2 300.406 1.081 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000330853494 527829403 /nfs/dbraw/zinc/82/94/03/527829403.db2.gz GPKBVBVRVCIUPP-STQMWFEESA-N 2 2 312.458 1.620 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000330853494 527829406 /nfs/dbraw/zinc/82/94/06/527829406.db2.gz GPKBVBVRVCIUPP-STQMWFEESA-N 2 2 312.458 1.620 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000330853494 527829411 /nfs/dbraw/zinc/82/94/11/527829411.db2.gz GPKBVBVRVCIUPP-STQMWFEESA-N 2 2 312.458 1.620 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C ZINC000330853494 527829415 /nfs/dbraw/zinc/82/94/15/527829415.db2.gz GPKBVBVRVCIUPP-STQMWFEESA-N 2 2 312.458 1.620 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000337676121 528991048 /nfs/dbraw/zinc/99/10/48/528991048.db2.gz LMOQNBJJWFJIJK-UHFFFAOYSA-N 2 2 319.453 1.447 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000337676121 528991052 /nfs/dbraw/zinc/99/10/52/528991052.db2.gz LMOQNBJJWFJIJK-UHFFFAOYSA-N 2 2 319.453 1.447 20 30 DDEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000338334910 529124623 /nfs/dbraw/zinc/12/46/23/529124623.db2.gz YUGIQWHHQBQJBD-MRXNPFEDSA-N 2 2 314.433 1.516 20 30 DDEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000338334910 529124627 /nfs/dbraw/zinc/12/46/27/529124627.db2.gz YUGIQWHHQBQJBD-MRXNPFEDSA-N 2 2 314.433 1.516 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972419141 695244525 /nfs/dbraw/zinc/24/45/25/695244525.db2.gz BDKBAVAZCYGFHH-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419141 695244527 /nfs/dbraw/zinc/24/45/27/695244527.db2.gz BDKBAVAZCYGFHH-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419141 695244528 /nfs/dbraw/zinc/24/45/28/695244528.db2.gz BDKBAVAZCYGFHH-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419141 695244531 /nfs/dbraw/zinc/24/45/31/695244531.db2.gz BDKBAVAZCYGFHH-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734026 695721501 /nfs/dbraw/zinc/72/15/01/695721501.db2.gz KWMBPYKLYDMWAM-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734026 695721503 /nfs/dbraw/zinc/72/15/03/695721503.db2.gz KWMBPYKLYDMWAM-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042175 695783038 /nfs/dbraw/zinc/78/30/38/695783038.db2.gz OKBYISWYSWPLNO-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975042175 695783039 /nfs/dbraw/zinc/78/30/39/695783039.db2.gz OKBYISWYSWPLNO-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCO1 ZINC000113867962 696659485 /nfs/dbraw/zinc/65/94/85/696659485.db2.gz FWODYPOXYXOVMI-CQSZACIVSA-N 2 2 305.426 1.106 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981863898 696946570 /nfs/dbraw/zinc/94/65/70/696946570.db2.gz BTBQVXKYPUEHBW-UHFFFAOYSA-N 2 2 318.421 1.460 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981863898 696946572 /nfs/dbraw/zinc/94/65/72/696946572.db2.gz BTBQVXKYPUEHBW-UHFFFAOYSA-N 2 2 318.421 1.460 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005569 697000157 /nfs/dbraw/zinc/00/01/57/697000157.db2.gz SWTLVHMKRGEPQK-CQSZACIVSA-N 2 2 312.417 1.387 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005569 697000161 /nfs/dbraw/zinc/00/01/61/697000161.db2.gz SWTLVHMKRGEPQK-CQSZACIVSA-N 2 2 312.417 1.387 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176242 697025912 /nfs/dbraw/zinc/02/59/12/697025912.db2.gz RASHXPACXLGKOR-HNNXBMFYSA-N 2 2 311.857 1.615 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176242 697025914 /nfs/dbraw/zinc/02/59/14/697025914.db2.gz RASHXPACXLGKOR-HNNXBMFYSA-N 2 2 311.857 1.615 20 30 DDEDLP COc1ccc(C(N)=[NH+]OCC[NH+]2CCCCC2)cc1OC ZINC000194384710 697707320 /nfs/dbraw/zinc/70/73/20/697707320.db2.gz ZQJAVABXYYJUQJ-UHFFFAOYSA-N 2 2 307.394 1.827 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991449879 699328033 /nfs/dbraw/zinc/32/80/33/699328033.db2.gz WGNZMRNJDXWKFV-RVKKMQEKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991449879 699328035 /nfs/dbraw/zinc/32/80/35/699328035.db2.gz WGNZMRNJDXWKFV-RVKKMQEKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000817275919 702322833 /nfs/dbraw/zinc/32/28/33/702322833.db2.gz NOWBGSXBPGJNDN-RTBURBONSA-N 2 2 314.429 1.789 20 30 DDEDLP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000866617253 706744890 /nfs/dbraw/zinc/74/48/90/706744890.db2.gz ZYTBEPNGPGXKGN-OALUTQOASA-N 2 2 311.429 1.868 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855810095 704502020 /nfs/dbraw/zinc/50/20/20/704502020.db2.gz SGSXHTHJSDXESG-WBVHZDCISA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855810095 704502021 /nfs/dbraw/zinc/50/20/21/704502021.db2.gz SGSXHTHJSDXESG-WBVHZDCISA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000855810095 704502022 /nfs/dbraw/zinc/50/20/22/704502022.db2.gz SGSXHTHJSDXESG-WBVHZDCISA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000855810095 704502023 /nfs/dbraw/zinc/50/20/23/704502023.db2.gz SGSXHTHJSDXESG-WBVHZDCISA-N 2 2 303.450 1.607 20 30 DDEDLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876747264 705854994 /nfs/dbraw/zinc/85/49/94/705854994.db2.gz ZMLXXKVRAWCKEP-MRXNPFEDSA-N 2 2 309.373 1.066 20 30 DDEDLP C#C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021487 710542712 /nfs/dbraw/zinc/54/27/12/710542712.db2.gz GHGVRNPAYBSKIY-CVEARBPZSA-N 2 2 318.465 1.352 20 30 DDEDLP C#C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021487 710542713 /nfs/dbraw/zinc/54/27/13/710542713.db2.gz GHGVRNPAYBSKIY-CVEARBPZSA-N 2 2 318.465 1.352 20 30 DDEDLP C#CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH+](C)CC1 ZINC000902536571 710785355 /nfs/dbraw/zinc/78/53/55/710785355.db2.gz IDFKLIPQKNDHLA-UHFFFAOYSA-N 2 2 302.374 1.650 20 30 DDEDLP C#CC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH+](C)CC1 ZINC000902536571 710785358 /nfs/dbraw/zinc/78/53/58/710785358.db2.gz IDFKLIPQKNDHLA-UHFFFAOYSA-N 2 2 302.374 1.650 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000921488545 713785917 /nfs/dbraw/zinc/78/59/17/713785917.db2.gz ZIIJZRSXENQFCQ-UHFFFAOYSA-N 2 2 311.389 1.231 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+])c(OC)c1 ZINC000923387610 714337702 /nfs/dbraw/zinc/33/77/02/714337702.db2.gz XAPNTDARLOXQHR-OAHLLOKOSA-N 2 2 322.449 1.833 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+])c(OC)c1 ZINC000923387610 714337704 /nfs/dbraw/zinc/33/77/04/714337704.db2.gz XAPNTDARLOXQHR-OAHLLOKOSA-N 2 2 322.449 1.833 20 30 DDEDLP N#Cc1cc(F)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926057413 714998446 /nfs/dbraw/zinc/99/84/46/714998446.db2.gz DIIWNDUPRUBKEQ-UHFFFAOYSA-N 2 2 305.357 1.242 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212119 716863286 /nfs/dbraw/zinc/86/32/86/716863286.db2.gz DHYNJRONLCBLDK-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212119 716863292 /nfs/dbraw/zinc/86/32/92/716863292.db2.gz DHYNJRONLCBLDK-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961232299 716872771 /nfs/dbraw/zinc/87/27/71/716872771.db2.gz PMWYELOLKNZOJT-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961232299 716872777 /nfs/dbraw/zinc/87/27/77/716872777.db2.gz PMWYELOLKNZOJT-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256044 716884028 /nfs/dbraw/zinc/88/40/28/716884028.db2.gz QVRMTKDOTHTBGC-CVEARBPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256044 716884035 /nfs/dbraw/zinc/88/40/35/716884035.db2.gz QVRMTKDOTHTBGC-CVEARBPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289943 716898036 /nfs/dbraw/zinc/89/80/36/716898036.db2.gz YYPILDUQZTUNAO-CVEARBPZSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289943 716898039 /nfs/dbraw/zinc/89/80/39/716898039.db2.gz YYPILDUQZTUNAO-CVEARBPZSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850718 716991804 /nfs/dbraw/zinc/99/18/04/716991804.db2.gz MBLNRGUGPXOUHL-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850718 716991807 /nfs/dbraw/zinc/99/18/07/716991807.db2.gz MBLNRGUGPXOUHL-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374490 717765835 /nfs/dbraw/zinc/76/58/35/717765835.db2.gz QDFWPXBWOSUKMK-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374490 717765837 /nfs/dbraw/zinc/76/58/37/717765837.db2.gz QDFWPXBWOSUKMK-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056052 719405448 /nfs/dbraw/zinc/40/54/48/719405448.db2.gz IGFGDKFQGLAGIC-ZFWWWQNUSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056052 719405449 /nfs/dbraw/zinc/40/54/49/719405449.db2.gz IGFGDKFQGLAGIC-ZFWWWQNUSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477758 719607732 /nfs/dbraw/zinc/60/77/32/719607732.db2.gz WGJPAAYVMGQUTK-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477758 719607735 /nfs/dbraw/zinc/60/77/35/719607735.db2.gz WGJPAAYVMGQUTK-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948954140 719800168 /nfs/dbraw/zinc/80/01/68/719800168.db2.gz MQHMNIFSBQAPQR-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000949904460 720410370 /nfs/dbraw/zinc/41/03/70/720410370.db2.gz NUJZOZQBGCYOLZ-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977924 720583837 /nfs/dbraw/zinc/58/38/37/720583837.db2.gz BPTPTSLESLKKDG-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000950506286 720662750 /nfs/dbraw/zinc/66/27/50/720662750.db2.gz YCUCIPHLEISFIN-KRWDZBQOSA-N 2 2 311.445 1.919 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000950506286 720662751 /nfs/dbraw/zinc/66/27/51/720662751.db2.gz YCUCIPHLEISFIN-KRWDZBQOSA-N 2 2 311.445 1.919 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407838 720750447 /nfs/dbraw/zinc/75/04/47/720750447.db2.gz QJNZRQQHEPXBTN-GXTWGEPZSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576328 733333909 /nfs/dbraw/zinc/33/39/09/733333909.db2.gz WWHYTORZGRAVFL-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576328 733333913 /nfs/dbraw/zinc/33/39/13/733333913.db2.gz WWHYTORZGRAVFL-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236663 733345200 /nfs/dbraw/zinc/34/52/00/733345200.db2.gz BNBYMPRXPHLOPK-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236663 733345203 /nfs/dbraw/zinc/34/52/03/733345203.db2.gz BNBYMPRXPHLOPK-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753747 733514958 /nfs/dbraw/zinc/51/49/58/733514958.db2.gz IGBDSSOYHTYOFF-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753747 733514961 /nfs/dbraw/zinc/51/49/61/733514961.db2.gz IGBDSSOYHTYOFF-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345489 733596146 /nfs/dbraw/zinc/59/61/46/733596146.db2.gz IWMOJEHWTRFKEY-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981129 738902907 /nfs/dbraw/zinc/90/29/07/738902907.db2.gz JVBCOAGABHRBCJ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981129 738902911 /nfs/dbraw/zinc/90/29/11/738902911.db2.gz JVBCOAGABHRBCJ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738116 736694702 /nfs/dbraw/zinc/69/47/02/736694702.db2.gz GRYKFWIWDBSWND-BRWVUGGUSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001167719841 736938318 /nfs/dbraw/zinc/93/83/18/736938318.db2.gz NKSREDVKCUWMQA-UHFFFAOYSA-N 2 2 323.400 1.390 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]12 ZINC001026296034 737314380 /nfs/dbraw/zinc/31/43/80/737314380.db2.gz QUZZXLSAVUJFOS-XNRPHZJLSA-N 2 2 308.385 1.636 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001026432735 737542156 /nfs/dbraw/zinc/54/21/56/737542156.db2.gz YOIKTRUJEXTZSI-MELADBBJSA-N 2 2 308.813 1.462 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028129482 739072261 /nfs/dbraw/zinc/07/22/61/739072261.db2.gz DXJGIZQULGEYLT-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028129482 739072266 /nfs/dbraw/zinc/07/22/66/739072266.db2.gz DXJGIZQULGEYLT-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640692 739833768 /nfs/dbraw/zinc/83/37/68/739833768.db2.gz 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C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641543 739835817 /nfs/dbraw/zinc/83/58/17/739835817.db2.gz HLBBONUOZDSXST-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641543 739835824 /nfs/dbraw/zinc/83/58/24/739835824.db2.gz HLBBONUOZDSXST-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643529 739841346 /nfs/dbraw/zinc/84/13/46/739841346.db2.gz PGXQMVVMRPQKOB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643529 739841349 /nfs/dbraw/zinc/84/13/49/739841349.db2.gz PGXQMVVMRPQKOB-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087630890 740683830 /nfs/dbraw/zinc/68/38/30/740683830.db2.gz BHZRHIWBVBUTLG-BHYGNILZSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC 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QJRIOEBFTOIVQG-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001035574209 751629600 /nfs/dbraw/zinc/62/96/00/751629600.db2.gz QJRIOEBFTOIVQG-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537136 741758593 /nfs/dbraw/zinc/75/85/93/741758593.db2.gz RQVSWZASYFIFQU-BQFCYCMXSA-N 2 2 314.433 1.686 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582353 741898449 /nfs/dbraw/zinc/89/84/49/741898449.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582353 741898456 /nfs/dbraw/zinc/89/84/56/741898456.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001088582353 741898462 /nfs/dbraw/zinc/89/84/62/741898462.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001088582353 741898469 /nfs/dbraw/zinc/89/84/69/741898469.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 2 317.437 1.555 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183176478 743790211 /nfs/dbraw/zinc/79/02/11/743790211.db2.gz OVEDDGJVKJCBJM-RDTXWAMCSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185203283 744179335 /nfs/dbraw/zinc/17/93/35/744179335.db2.gz FIZDOQRJHYXBMG-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992170308 744656797 /nfs/dbraw/zinc/65/67/97/744656797.db2.gz USJUFUVUUNSOJA-DDUZABMNSA-N 2 2 312.417 1.576 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992170308 744656800 /nfs/dbraw/zinc/65/68/00/744656800.db2.gz USJUFUVUUNSOJA-DDUZABMNSA-N 2 2 312.417 1.576 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C/C=C\Cl)C1 ZINC001190724967 745307323 /nfs/dbraw/zinc/30/73/23/745307323.db2.gz OIGYCMXLSPENQD-PNPSXAPQSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001190724967 745307325 /nfs/dbraw/zinc/30/73/25/745307325.db2.gz OIGYCMXLSPENQD-PNPSXAPQSA-N 2 2 309.841 1.369 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478758 745518053 /nfs/dbraw/zinc/51/80/53/745518053.db2.gz LKJXNCVAVKCOMW-HNNXBMFYSA-N 2 2 320.437 1.088 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478758 745518057 /nfs/dbraw/zinc/51/80/57/745518057.db2.gz LKJXNCVAVKCOMW-HNNXBMFYSA-N 2 2 320.437 1.088 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479835 745518389 /nfs/dbraw/zinc/51/83/89/745518389.db2.gz RNHXNMLTDVOTRE-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479835 745518394 /nfs/dbraw/zinc/51/83/94/745518394.db2.gz RNHXNMLTDVOTRE-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036002721 752069309 /nfs/dbraw/zinc/06/93/09/752069309.db2.gz BZYBGXNHFTWMPM-WCQYABFASA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993604054 746227517 /nfs/dbraw/zinc/22/75/17/746227517.db2.gz BZPICJQWEVCJCG-KBPBESRZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993604054 746227521 /nfs/dbraw/zinc/22/75/21/746227521.db2.gz BZPICJQWEVCJCG-KBPBESRZSA-N 2 2 310.829 1.913 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315012 746334165 /nfs/dbraw/zinc/33/41/65/746334165.db2.gz MSLYNTDWHJWCOU-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315012 746334169 /nfs/dbraw/zinc/33/41/69/746334169.db2.gz MSLYNTDWHJWCOU-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001197172116 747094291 /nfs/dbraw/zinc/09/42/91/747094291.db2.gz GXUGLESPFSCOQQ-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001197172116 747094299 /nfs/dbraw/zinc/09/42/99/747094299.db2.gz GXUGLESPFSCOQQ-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172116 747094305 /nfs/dbraw/zinc/09/43/05/747094305.db2.gz GXUGLESPFSCOQQ-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001197172116 747094308 /nfs/dbraw/zinc/09/43/08/747094308.db2.gz GXUGLESPFSCOQQ-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089506028 747130479 /nfs/dbraw/zinc/13/04/79/747130479.db2.gz JFTSBVHVRFBLGQ-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089506028 747130483 /nfs/dbraw/zinc/13/04/83/747130483.db2.gz JFTSBVHVRFBLGQ-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001197724336 747251437 /nfs/dbraw/zinc/25/14/37/747251437.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197724336 747251439 /nfs/dbraw/zinc/25/14/39/747251439.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197724336 747251441 /nfs/dbraw/zinc/25/14/41/747251441.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197724336 747251445 /nfs/dbraw/zinc/25/14/45/747251445.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001003701812 747390365 /nfs/dbraw/zinc/39/03/65/747390365.db2.gz XLZKDBOJAYPGMM-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198615853 747549210 /nfs/dbraw/zinc/54/92/10/747549210.db2.gz CHONWSHRZVKEBK-HZPDHXFCSA-N 2 2 315.417 1.170 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198615853 747549215 /nfs/dbraw/zinc/54/92/15/747549215.db2.gz CHONWSHRZVKEBK-HZPDHXFCSA-N 2 2 315.417 1.170 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702776 752283242 /nfs/dbraw/zinc/28/32/42/752283242.db2.gz FGSVUKSYZVKDOA-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702776 752283245 /nfs/dbraw/zinc/28/32/45/752283245.db2.gz FGSVUKSYZVKDOA-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201744502 748592416 /nfs/dbraw/zinc/59/24/16/748592416.db2.gz PSRBLGHUBVYKQQ-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128653 748717527 /nfs/dbraw/zinc/71/75/27/748717527.db2.gz JDAODQJWXMPMAV-LSDHHAIUSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644601 748857246 /nfs/dbraw/zinc/85/72/46/748857246.db2.gz SJAXMKHULGKAEY-OAGGEKHMSA-N 2 2 318.421 1.266 20 30 DDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644601 748857254 /nfs/dbraw/zinc/85/72/54/748857254.db2.gz SJAXMKHULGKAEY-OAGGEKHMSA-N 2 2 318.421 1.266 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039257070 761895202 /nfs/dbraw/zinc/89/52/02/761895202.db2.gz PPPODXXPJGXMGO-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039257070 761895211 /nfs/dbraw/zinc/89/52/11/761895211.db2.gz PPPODXXPJGXMGO-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039300277 761919050 /nfs/dbraw/zinc/91/90/50/761919050.db2.gz FYHOMWKZNQBKFU-ZBSSRIJBSA-N 2 2 314.433 1.723 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039300277 761919059 /nfs/dbraw/zinc/91/90/59/761919059.db2.gz FYHOMWKZNQBKFU-ZBSSRIJBSA-N 2 2 314.433 1.723 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445083 749219265 /nfs/dbraw/zinc/21/92/65/749219265.db2.gz JFXGYBSHVRERPR-TWMKSMIVSA-N 2 2 314.433 1.540 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445083 749219270 /nfs/dbraw/zinc/21/92/70/749219270.db2.gz JFXGYBSHVRERPR-TWMKSMIVSA-N 2 2 314.433 1.540 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001114485759 749271495 /nfs/dbraw/zinc/27/14/95/749271495.db2.gz JWQUXUMUUOUUIJ-AIANPOQGSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001114485759 749271498 /nfs/dbraw/zinc/27/14/98/749271498.db2.gz JWQUXUMUUOUUIJ-AIANPOQGSA-N 2 2 314.433 1.458 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414548 749310162 /nfs/dbraw/zinc/31/01/62/749310162.db2.gz CPSBLXOGNJHDTK-HOTGVXAUSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414548 749310171 /nfs/dbraw/zinc/31/01/71/749310171.db2.gz CPSBLXOGNJHDTK-HOTGVXAUSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343519 761950410 /nfs/dbraw/zinc/95/04/10/761950410.db2.gz VZHAIIKKQLKVJX-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039343519 761950417 /nfs/dbraw/zinc/95/04/17/761950417.db2.gz VZHAIIKKQLKVJX-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343519 761950422 /nfs/dbraw/zinc/95/04/22/761950422.db2.gz VZHAIIKKQLKVJX-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343519 761950426 /nfs/dbraw/zinc/95/04/26/761950426.db2.gz VZHAIIKKQLKVJX-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573683 750163814 /nfs/dbraw/zinc/16/38/14/750163814.db2.gz HPNXDWVQCCWSOX-YXJHDRRASA-N 2 2 314.433 1.582 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573683 750163817 /nfs/dbraw/zinc/16/38/17/750163817.db2.gz HPNXDWVQCCWSOX-YXJHDRRASA-N 2 2 314.433 1.582 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573683 750163822 /nfs/dbraw/zinc/16/38/22/750163822.db2.gz HPNXDWVQCCWSOX-YXJHDRRASA-N 2 2 314.433 1.582 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573683 750163826 /nfs/dbraw/zinc/16/38/26/750163826.db2.gz HPNXDWVQCCWSOX-YXJHDRRASA-N 2 2 314.433 1.582 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626607 750721374 /nfs/dbraw/zinc/72/13/74/750721374.db2.gz WBSWBGWDBMVNBL-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108163317 750917172 /nfs/dbraw/zinc/91/71/72/750917172.db2.gz FWIWGISSPHYDMP-KRWDZBQOSA-N 2 2 321.421 1.348 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108163317 750917176 /nfs/dbraw/zinc/91/71/76/750917176.db2.gz FWIWGISSPHYDMP-KRWDZBQOSA-N 2 2 321.421 1.348 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471774 750950044 /nfs/dbraw/zinc/95/00/44/750950044.db2.gz FENUGRUQKIIMHL-HOTGVXAUSA-N 2 2 301.434 1.171 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471774 750950050 /nfs/dbraw/zinc/95/00/50/750950050.db2.gz FENUGRUQKIIMHL-HOTGVXAUSA-N 2 2 301.434 1.171 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482654 750986544 /nfs/dbraw/zinc/98/65/44/750986544.db2.gz HUFCDJLEOMDESM-KBMXLJTQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482654 750986547 /nfs/dbraw/zinc/98/65/47/750986547.db2.gz HUFCDJLEOMDESM-KBMXLJTQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999013060 752435303 /nfs/dbraw/zinc/43/53/03/752435303.db2.gz SVPZMDKOURMMHF-IYXRBSQSSA-N 2 2 322.840 1.777 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999534620 752978874 /nfs/dbraw/zinc/97/88/74/752978874.db2.gz GQSHNCGDXLZNAS-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999792146 753147413 /nfs/dbraw/zinc/14/74/13/753147413.db2.gz MQOIGKXCFCGSCP-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999792146 753147415 /nfs/dbraw/zinc/14/74/15/753147415.db2.gz MQOIGKXCFCGSCP-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439377 762189693 /nfs/dbraw/zinc/18/96/93/762189693.db2.gz IODSDFSVXLRBJZ-MRXNPFEDSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439377 762189696 /nfs/dbraw/zinc/18/96/96/762189696.db2.gz IODSDFSVXLRBJZ-MRXNPFEDSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001107994001 753352297 /nfs/dbraw/zinc/35/22/97/753352297.db2.gz HJPPLOJSUITUCL-AEFFLSMTSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001107994001 753352300 /nfs/dbraw/zinc/35/23/00/753352300.db2.gz HJPPLOJSUITUCL-AEFFLSMTSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001107994001 753352302 /nfs/dbraw/zinc/35/23/02/753352302.db2.gz HJPPLOJSUITUCL-AEFFLSMTSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001107994001 753352305 /nfs/dbraw/zinc/35/23/05/753352305.db2.gz HJPPLOJSUITUCL-AEFFLSMTSA-N 2 2 323.481 1.357 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001010370094 753824406 /nfs/dbraw/zinc/82/44/06/753824406.db2.gz STONZXWOWRWJCV-QZTJIDSGSA-N 2 2 311.429 1.323 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001010370094 753824414 /nfs/dbraw/zinc/82/44/14/753824414.db2.gz STONZXWOWRWJCV-QZTJIDSGSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010370094 753824417 /nfs/dbraw/zinc/82/44/17/753824417.db2.gz STONZXWOWRWJCV-QZTJIDSGSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010370094 753824424 /nfs/dbraw/zinc/82/44/24/753824424.db2.gz STONZXWOWRWJCV-QZTJIDSGSA-N 2 2 311.429 1.323 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078660806 754258739 /nfs/dbraw/zinc/25/87/39/754258739.db2.gz OYJWFUHSQRNDCH-CVEARBPZSA-N 2 2 308.385 1.827 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038625070 754384780 /nfs/dbraw/zinc/38/47/80/754384780.db2.gz UXULWPJZHNQDRV-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038625070 754384788 /nfs/dbraw/zinc/38/47/88/754384788.db2.gz UXULWPJZHNQDRV-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625070 754384794 /nfs/dbraw/zinc/38/47/94/754384794.db2.gz UXULWPJZHNQDRV-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625070 754384800 /nfs/dbraw/zinc/38/48/00/754384800.db2.gz UXULWPJZHNQDRV-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC#C)CC1 ZINC001040014962 762315175 /nfs/dbraw/zinc/31/51/75/762315175.db2.gz VAYKZOXWUHISOC-HDICACEKSA-N 2 2 313.445 1.030 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC#C)CC1 ZINC001040014962 762315179 /nfs/dbraw/zinc/31/51/79/762315179.db2.gz VAYKZOXWUHISOC-HDICACEKSA-N 2 2 313.445 1.030 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993232 755669229 /nfs/dbraw/zinc/66/92/29/755669229.db2.gz BVULFGBUQIMUMR-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993232 755669231 /nfs/dbraw/zinc/66/92/31/755669231.db2.gz BVULFGBUQIMUMR-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993232 755669236 /nfs/dbraw/zinc/66/92/36/755669236.db2.gz BVULFGBUQIMUMR-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993232 755669239 /nfs/dbraw/zinc/66/92/39/755669239.db2.gz BVULFGBUQIMUMR-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010846 755681728 /nfs/dbraw/zinc/68/17/28/755681728.db2.gz PDJCPEFFXFWEFT-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010846 755681729 /nfs/dbraw/zinc/68/17/29/755681729.db2.gz PDJCPEFFXFWEFT-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419077 755907701 /nfs/dbraw/zinc/90/77/01/755907701.db2.gz KLPQNHSWBYFGOR-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419077 755907705 /nfs/dbraw/zinc/90/77/05/755907705.db2.gz KLPQNHSWBYFGOR-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028665 756081317 /nfs/dbraw/zinc/08/13/17/756081317.db2.gz RRVFIMPRBXCHFD-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028665 756081324 /nfs/dbraw/zinc/08/13/24/756081324.db2.gz RRVFIMPRBXCHFD-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001082604921 756865424 /nfs/dbraw/zinc/86/54/24/756865424.db2.gz KKDULFNKPWCDFS-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082604921 756865428 /nfs/dbraw/zinc/86/54/28/756865428.db2.gz KKDULFNKPWCDFS-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016930636 757485282 /nfs/dbraw/zinc/48/52/82/757485282.db2.gz NIGKFKRYFOVZBN-AWEZNQCLSA-N 2 2 322.840 1.686 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461595 757578132 /nfs/dbraw/zinc/57/81/32/757578132.db2.gz IXMGMIQRIWVISE-IIAWOOMASA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461595 757578139 /nfs/dbraw/zinc/57/81/39/757578139.db2.gz IXMGMIQRIWVISE-IIAWOOMASA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012317 758472711 /nfs/dbraw/zinc/47/27/11/758472711.db2.gz PZTLNMRMXPQSPU-GASCZTMLSA-N 2 2 302.422 1.868 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018012317 758472718 /nfs/dbraw/zinc/47/27/18/758472718.db2.gz PZTLNMRMXPQSPU-GASCZTMLSA-N 2 2 302.422 1.868 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031773 758490272 /nfs/dbraw/zinc/49/02/72/758490272.db2.gz MVTBZBSNWFUHFZ-CALCHBBNSA-N 2 2 303.450 1.417 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031773 758490281 /nfs/dbraw/zinc/49/02/81/758490281.db2.gz MVTBZBSNWFUHFZ-CALCHBBNSA-N 2 2 303.450 1.417 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619265 758638940 /nfs/dbraw/zinc/63/89/40/758638940.db2.gz OFAUVMMUKBDTKN-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619265 758638944 /nfs/dbraw/zinc/63/89/44/758638944.db2.gz OFAUVMMUKBDTKN-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143632 759218316 /nfs/dbraw/zinc/21/83/16/759218316.db2.gz YKNNUKGQLRZHQN-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054143632 759218322 /nfs/dbraw/zinc/21/83/22/759218322.db2.gz YKNNUKGQLRZHQN-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143632 759218328 /nfs/dbraw/zinc/21/83/28/759218328.db2.gz YKNNUKGQLRZHQN-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054143632 759218337 /nfs/dbraw/zinc/21/83/37/759218337.db2.gz YKNNUKGQLRZHQN-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP CCCc1cc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1Cl ZINC001158206160 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300.406 1.051 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935367 773726988 /nfs/dbraw/zinc/72/69/88/773726988.db2.gz PKVCNSJFHKWQTO-MRXNPFEDSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086951121 773741194 /nfs/dbraw/zinc/74/11/94/773741194.db2.gz UTKSNXHPBLUTIV-AWEZNQCLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026244 773924919 /nfs/dbraw/zinc/92/49/19/773924919.db2.gz GOSLOGKHINARKG-ADAWSYLGSA-N 2 2 314.433 1.490 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026244 773924924 /nfs/dbraw/zinc/92/49/24/773924924.db2.gz GOSLOGKHINARKG-ADAWSYLGSA-N 2 2 314.433 1.490 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908391 774715461 /nfs/dbraw/zinc/71/54/61/774715461.db2.gz ACIOKPIERZNWRR-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908391 774715464 /nfs/dbraw/zinc/71/54/64/774715464.db2.gz ACIOKPIERZNWRR-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899970 775400119 /nfs/dbraw/zinc/40/01/19/775400119.db2.gz ZFSVQTNFALEVGH-OLZOCXBDSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899970 775400124 /nfs/dbraw/zinc/40/01/24/775400124.db2.gz ZFSVQTNFALEVGH-OLZOCXBDSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899970 775400131 /nfs/dbraw/zinc/40/01/31/775400131.db2.gz ZFSVQTNFALEVGH-OLZOCXBDSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899970 775400139 /nfs/dbraw/zinc/40/01/39/775400139.db2.gz ZFSVQTNFALEVGH-OLZOCXBDSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080953 775655553 /nfs/dbraw/zinc/65/55/53/775655553.db2.gz ODQHZXBQQMMPJD-ZIAGYGMSSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080953 775655555 /nfs/dbraw/zinc/65/55/55/775655555.db2.gz ODQHZXBQQMMPJD-ZIAGYGMSSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879885 775924061 /nfs/dbraw/zinc/92/40/61/775924061.db2.gz VWVPMNPKVMFHCH-UKRRQHHQSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879885 775924073 /nfs/dbraw/zinc/92/40/73/775924073.db2.gz VWVPMNPKVMFHCH-UKRRQHHQSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879883 775925077 /nfs/dbraw/zinc/92/50/77/775925077.db2.gz VWVPMNPKVMFHCH-DZGCQCFKSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879883 775925085 /nfs/dbraw/zinc/92/50/85/775925085.db2.gz VWVPMNPKVMFHCH-DZGCQCFKSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001100458023 776183076 /nfs/dbraw/zinc/18/30/76/776183076.db2.gz KLDMKWLNAHTBDF-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596052 776362324 /nfs/dbraw/zinc/36/23/24/776362324.db2.gz JRGXYSDCGDTOEW-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054261 776797360 /nfs/dbraw/zinc/79/73/60/776797360.db2.gz RBYHGYQSEOJOBK-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054261 776797372 /nfs/dbraw/zinc/79/73/72/776797372.db2.gz RBYHGYQSEOJOBK-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094970469 776926771 /nfs/dbraw/zinc/92/67/71/776926771.db2.gz DZGPHJBYNYHISE-XHSDSOJGSA-N 2 2 302.422 1.818 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030748 777813112 /nfs/dbraw/zinc/81/31/12/777813112.db2.gz BCLUCFNGDONTRY-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030748 777813119 /nfs/dbraw/zinc/81/31/19/777813119.db2.gz BCLUCFNGDONTRY-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030748 777813125 /nfs/dbraw/zinc/81/31/25/777813125.db2.gz BCLUCFNGDONTRY-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030748 777813128 /nfs/dbraw/zinc/81/31/28/777813128.db2.gz BCLUCFNGDONTRY-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616468 778241208 /nfs/dbraw/zinc/24/12/08/778241208.db2.gz BZTYRURCTJQVTQ-BZUAXINKSA-N 2 2 304.438 1.922 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616468 778241216 /nfs/dbraw/zinc/24/12/16/778241216.db2.gz BZTYRURCTJQVTQ-BZUAXINKSA-N 2 2 304.438 1.922 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001177041436 778404739 /nfs/dbraw/zinc/40/47/39/778404739.db2.gz HPBMYRVCBBTKPD-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001177041436 778404743 /nfs/dbraw/zinc/40/47/43/778404743.db2.gz HPBMYRVCBBTKPD-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177041436 778404744 /nfs/dbraw/zinc/40/47/44/778404744.db2.gz HPBMYRVCBBTKPD-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177041436 778404747 /nfs/dbraw/zinc/40/47/47/778404747.db2.gz HPBMYRVCBBTKPD-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466653 778600288 /nfs/dbraw/zinc/60/02/88/778600288.db2.gz AFGOTZUFDUMHEY-UHFFFAOYSA-N 2 2 316.449 1.594 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509903 780199661 /nfs/dbraw/zinc/19/96/61/780199661.db2.gz GBNSCXNKNKHBMU-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001266816761 836877255 /nfs/dbraw/zinc/87/72/55/836877255.db2.gz JATZGFQQYMMELJ-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267548463 838285595 /nfs/dbraw/zinc/28/55/95/838285595.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267548463 838285603 /nfs/dbraw/zinc/28/56/03/838285603.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267548463 838285609 /nfs/dbraw/zinc/28/56/09/838285609.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267548463 838285618 /nfs/dbraw/zinc/28/56/18/838285618.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268155314 839765021 /nfs/dbraw/zinc/76/50/21/839765021.db2.gz WNVLQGDXYSCYQY-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001268979109 841079827 /nfs/dbraw/zinc/07/98/27/841079827.db2.gz XAMIHECWDJWOCJ-BPUTZDHNSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001268979109 841079838 /nfs/dbraw/zinc/07/98/38/841079838.db2.gz XAMIHECWDJWOCJ-BPUTZDHNSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001269084810 841183727 /nfs/dbraw/zinc/18/37/27/841183727.db2.gz YMEZKXIGEMUBKX-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001269084810 841183732 /nfs/dbraw/zinc/18/37/32/841183732.db2.gz YMEZKXIGEMUBKX-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001269812387 842070988 /nfs/dbraw/zinc/07/09/88/842070988.db2.gz DVLVGVBITARMLA-HUUCEWRRSA-N 2 2 316.449 1.943 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001271021578 843140974 /nfs/dbraw/zinc/14/09/74/843140974.db2.gz PLGYIURZWOIAOA-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001271585730 843715355 /nfs/dbraw/zinc/71/53/55/843715355.db2.gz UBKMAUKJSAVLKK-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001271585730 843715363 /nfs/dbraw/zinc/71/53/63/843715363.db2.gz UBKMAUKJSAVLKK-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001271721165 843805723 /nfs/dbraw/zinc/80/57/23/843805723.db2.gz KNKYEJXHWJWZBR-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001271721168 843806235 /nfs/dbraw/zinc/80/62/35/843806235.db2.gz KNKYEJXHWJWZBR-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116746 845919241 /nfs/dbraw/zinc/91/92/41/845919241.db2.gz PBNNTSFXKJUOAV-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116746 845919248 /nfs/dbraw/zinc/91/92/48/845919248.db2.gz PBNNTSFXKJUOAV-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272660138 846503507 /nfs/dbraw/zinc/50/35/07/846503507.db2.gz KKMOTVOALYPATJ-HOTGVXAUSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272660138 846503511 /nfs/dbraw/zinc/50/35/11/846503511.db2.gz KKMOTVOALYPATJ-HOTGVXAUSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272660138 846503519 /nfs/dbraw/zinc/50/35/19/846503519.db2.gz KKMOTVOALYPATJ-HOTGVXAUSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272660138 846503523 /nfs/dbraw/zinc/50/35/23/846503523.db2.gz KKMOTVOALYPATJ-HOTGVXAUSA-N 2 2 323.481 1.309 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034249010 848156434 /nfs/dbraw/zinc/15/64/34/848156434.db2.gz GPAMRICSYWRTNO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034249010 848156437 /nfs/dbraw/zinc/15/64/37/848156437.db2.gz GPAMRICSYWRTNO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034249010 848156441 /nfs/dbraw/zinc/15/64/41/848156441.db2.gz GPAMRICSYWRTNO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034249010 848156444 /nfs/dbraw/zinc/15/64/44/848156444.db2.gz GPAMRICSYWRTNO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054741 862055765 /nfs/dbraw/zinc/05/57/65/862055765.db2.gz YMVKGMJPTUSIAW-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054741 862055780 /nfs/dbraw/zinc/05/57/80/862055780.db2.gz YMVKGMJPTUSIAW-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001328940533 863354816 /nfs/dbraw/zinc/35/48/16/863354816.db2.gz JJZQFUIOMOHZHH-NFOMZHRRSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193442 862136380 /nfs/dbraw/zinc/13/63/80/862136380.db2.gz NAXZSOVTYMDXLZ-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193442 862136387 /nfs/dbraw/zinc/13/63/87/862136387.db2.gz NAXZSOVTYMDXLZ-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380564 862208177 /nfs/dbraw/zinc/20/81/77/862208177.db2.gz VMFSMEIBNIVWGS-CABCVRRESA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380564 862208194 /nfs/dbraw/zinc/20/81/94/862208194.db2.gz VMFSMEIBNIVWGS-CABCVRRESA-N 2 2 306.410 1.227 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507191 862283615 /nfs/dbraw/zinc/28/36/15/862283615.db2.gz DPVIAGFDSKLTQL-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507191 862283621 /nfs/dbraw/zinc/28/36/21/862283621.db2.gz DPVIAGFDSKLTQL-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)CCn2cc[nH+]c2)c1 ZINC001274244315 852086415 /nfs/dbraw/zinc/08/64/15/852086415.db2.gz MGJAQIAMQUSLNB-OWOJBTEDSA-N 2 2 323.400 1.607 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274566069 852399388 /nfs/dbraw/zinc/39/93/88/852399388.db2.gz QHTBMXJKBIZKOZ-CQSZACIVSA-N 2 2 320.437 1.108 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274566069 852399399 /nfs/dbraw/zinc/39/93/99/852399399.db2.gz QHTBMXJKBIZKOZ-CQSZACIVSA-N 2 2 320.437 1.108 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663823 862403195 /nfs/dbraw/zinc/40/31/95/862403195.db2.gz PNIAGHADBDPVJY-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663823 862403197 /nfs/dbraw/zinc/40/31/97/862403197.db2.gz PNIAGHADBDPVJY-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824624 862481522 /nfs/dbraw/zinc/48/15/22/862481522.db2.gz NXGNLGTVYPTEHS-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824624 862481529 /nfs/dbraw/zinc/48/15/29/862481529.db2.gz NXGNLGTVYPTEHS-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275865450 853886371 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C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320780762 867024877 /nfs/dbraw/zinc/02/48/77/867024877.db2.gz YPNUHVHAJPWWQD-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCC[C@H]3O)cc2F)CC1 ZINC001334119932 867310591 /nfs/dbraw/zinc/31/05/91/867310591.db2.gz IZRDJQSJRYGOKD-NVXWUHKLSA-N 2 2 320.412 1.414 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163275002 868297403 /nfs/dbraw/zinc/29/74/03/868297403.db2.gz MSVMCJPTUSBENO-INIZCTEOSA-N 2 2 311.470 1.549 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163275002 868297419 /nfs/dbraw/zinc/29/74/19/868297419.db2.gz MSVMCJPTUSBENO-INIZCTEOSA-N 2 2 311.470 1.549 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001335457211 868311945 /nfs/dbraw/zinc/31/19/45/868311945.db2.gz JLYXCWRTHQGQSE-UHFFFAOYSA-N 2 2 310.401 1.574 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335627 869134565 /nfs/dbraw/zinc/13/45/65/869134565.db2.gz ZINHPUGDVGXWCO-UHFFFAOYSA-N 2 2 320.437 1.421 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819725 869721840 /nfs/dbraw/zinc/72/18/40/869721840.db2.gz WGOBPKAQYLJNJS-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317020402 870128487 /nfs/dbraw/zinc/12/84/87/870128487.db2.gz WLASLHUZDUQCHC-GJZGRUSLSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203950758 870850342 /nfs/dbraw/zinc/85/03/42/870850342.db2.gz PDCFGPCXDZCLPK-KRWDZBQOSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1csc(C)c1 ZINC001317449672 870858115 /nfs/dbraw/zinc/85/81/15/870858115.db2.gz DXBVPVIHIBXYFX-INIZCTEOSA-N 2 2 319.474 1.702 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1csc(C)c1 ZINC001317449672 870858124 /nfs/dbraw/zinc/85/81/24/870858124.db2.gz DXBVPVIHIBXYFX-INIZCTEOSA-N 2 2 319.474 1.702 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1csc(C)c1 ZINC001317449672 870858130 /nfs/dbraw/zinc/85/81/30/870858130.db2.gz DXBVPVIHIBXYFX-INIZCTEOSA-N 2 2 319.474 1.702 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1csc(C)c1 ZINC001317449672 870858135 /nfs/dbraw/zinc/85/81/35/870858135.db2.gz DXBVPVIHIBXYFX-INIZCTEOSA-N 2 2 319.474 1.702 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531999 871007323 /nfs/dbraw/zinc/00/73/23/871007323.db2.gz GZEJABNSYUXMCP-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531999 871007342 /nfs/dbraw/zinc/00/73/42/871007342.db2.gz GZEJABNSYUXMCP-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500251 871589690 /nfs/dbraw/zinc/58/96/90/871589690.db2.gz NCFVKJGGIQKSGC-KRWDZBQOSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512873 871601459 /nfs/dbraw/zinc/60/14/59/871601459.db2.gz VRLTVKLXNNPGOX-UHFFFAOYSA-N 2 2 304.438 1.941 20 30 DDEDLP C=CCOCC[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001318074551 871727072 /nfs/dbraw/zinc/72/70/72/871727072.db2.gz OFSGSBOGVKWNLV-UHFFFAOYSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCCC)CCO1 ZINC001319307010 872554297 /nfs/dbraw/zinc/55/42/97/872554297.db2.gz BBZNPRVEYCXYIE-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCCC)CCO1 ZINC001319307010 872554311 /nfs/dbraw/zinc/55/43/11/872554311.db2.gz BBZNPRVEYCXYIE-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCC)CCO1 ZINC001319307010 872554314 /nfs/dbraw/zinc/55/43/14/872554314.db2.gz BBZNPRVEYCXYIE-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCC)CCO1 ZINC001319307010 872554330 /nfs/dbraw/zinc/55/43/30/872554330.db2.gz BBZNPRVEYCXYIE-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322554 872571943 /nfs/dbraw/zinc/57/19/43/872571943.db2.gz MNLZKTYEIQQWIT-DZGCQCFKSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322554 872571952 /nfs/dbraw/zinc/57/19/52/872571952.db2.gz MNLZKTYEIQQWIT-DZGCQCFKSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001319321755 872574208 /nfs/dbraw/zinc/57/42/08/872574208.db2.gz FBAFEELVBDULTM-INIZCTEOSA-N 2 2 320.437 1.365 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001319321755 872574221 /nfs/dbraw/zinc/57/42/21/872574221.db2.gz FBAFEELVBDULTM-INIZCTEOSA-N 2 2 320.437 1.365 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435854 874139855 /nfs/dbraw/zinc/13/98/55/874139855.db2.gz OVSSRBMPADTZRX-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450761 874152878 /nfs/dbraw/zinc/15/28/78/874152878.db2.gz KNZCXWYKEPAIQS-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490893 874186051 /nfs/dbraw/zinc/18/60/51/874186051.db2.gz MPTGFAMRWAUSQG-ZYHUDNBSSA-N 2 2 318.259 1.283 20 30 DDEDLP C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490893 874186057 /nfs/dbraw/zinc/18/60/57/874186057.db2.gz MPTGFAMRWAUSQG-ZYHUDNBSSA-N 2 2 318.259 1.283 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351967 874835390 /nfs/dbraw/zinc/83/53/90/874835390.db2.gz WRYQTQYLBQRIDX-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351967 874835407 /nfs/dbraw/zinc/83/54/07/874835407.db2.gz WRYQTQYLBQRIDX-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351967 874835420 /nfs/dbraw/zinc/83/54/20/874835420.db2.gz WRYQTQYLBQRIDX-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351967 874835435 /nfs/dbraw/zinc/83/54/35/874835435.db2.gz WRYQTQYLBQRIDX-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241635 875858505 /nfs/dbraw/zinc/85/85/05/875858505.db2.gz GRGAJEWILMJMCO-ARFHVFGLSA-N 2 2 320.437 1.443 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241635 875858515 /nfs/dbraw/zinc/85/85/15/875858515.db2.gz GRGAJEWILMJMCO-ARFHVFGLSA-N 2 2 320.437 1.443 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@@H+](CC)CC1 ZINC001352085324 876591377 /nfs/dbraw/zinc/59/13/77/876591377.db2.gz XODGFBZKBYSJQN-UHFFFAOYSA-N 2 2 318.469 1.592 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC001352085324 876591390 /nfs/dbraw/zinc/59/13/90/876591390.db2.gz XODGFBZKBYSJQN-UHFFFAOYSA-N 2 2 318.469 1.592 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254705 876622403 /nfs/dbraw/zinc/62/24/03/876622403.db2.gz DWXUPHWZAHFHNC-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403358 887938601 /nfs/dbraw/zinc/93/86/01/887938601.db2.gz USYUFTMPVIBHQT-LSDHHAIUSA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403358 887938617 /nfs/dbraw/zinc/93/86/17/887938617.db2.gz USYUFTMPVIBHQT-LSDHHAIUSA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403353 887940041 /nfs/dbraw/zinc/94/00/41/887940041.db2.gz USYUFTMPVIBHQT-CABCVRRESA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403353 887940046 /nfs/dbraw/zinc/94/00/46/887940046.db2.gz USYUFTMPVIBHQT-CABCVRRESA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC/C=C\CC ZINC001235454000 888656277 /nfs/dbraw/zinc/65/62/77/888656277.db2.gz IDMZOZACVSDOPG-DFOOCIKTSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001235454000 888656284 /nfs/dbraw/zinc/65/62/84/888656284.db2.gz IDMZOZACVSDOPG-DFOOCIKTSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC/C=C\CC ZINC001235454000 888656287 /nfs/dbraw/zinc/65/62/87/888656287.db2.gz IDMZOZACVSDOPG-DFOOCIKTSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC/C=C\CC ZINC001235454000 888656293 /nfs/dbraw/zinc/65/62/93/888656293.db2.gz IDMZOZACVSDOPG-DFOOCIKTSA-N 2 2 317.477 1.973 20 30 DDEDLP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001364728692 889288242 /nfs/dbraw/zinc/28/82/42/889288242.db2.gz MPMOCQIGIBSXJU-QAPCUYQASA-N 2 2 312.461 1.966 20 30 DDEDLP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001364728692 889288250 /nfs/dbraw/zinc/28/82/50/889288250.db2.gz MPMOCQIGIBSXJU-QAPCUYQASA-N 2 2 312.461 1.966 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246944968 893007975 /nfs/dbraw/zinc/00/79/75/893007975.db2.gz DMDOGZMMWFXCRT-MSOLQXFVSA-N 3 2 306.498 1.419 20 30 DDEDLP C#CC[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247609774 893249749 /nfs/dbraw/zinc/24/97/49/893249749.db2.gz ODJLWQBBUJWQQA-OAHLLOKOSA-N 2 2 311.389 1.512 20 30 DDEDLP CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252048017 894981492 /nfs/dbraw/zinc/98/14/92/894981492.db2.gz SYZCNWDODZQXOG-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252594920 895296495 /nfs/dbraw/zinc/29/64/95/895296495.db2.gz BQZTVZCVCCMWDW-AWEZNQCLSA-N 2 2 316.409 1.056 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252594920 895296502 /nfs/dbraw/zinc/29/65/02/895296502.db2.gz BQZTVZCVCCMWDW-AWEZNQCLSA-N 2 2 316.409 1.056 20 30 DDEDLP COCCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001257404361 897842307 /nfs/dbraw/zinc/84/23/07/897842307.db2.gz BBIVMIRAIBGGAR-UHFFFAOYSA-N 2 2 309.385 1.965 20 30 DDEDLP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001263096276 900496389 /nfs/dbraw/zinc/49/63/89/900496389.db2.gz MIRMRYNBPKNOOY-UHFFFAOYSA-N 2 2 321.371 1.268 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001264374464 901056526 /nfs/dbraw/zinc/05/65/26/901056526.db2.gz IAUCJKGNMMDBIG-INIZCTEOSA-N 2 2 302.422 1.528 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001264374464 901056533 /nfs/dbraw/zinc/05/65/33/901056533.db2.gz IAUCJKGNMMDBIG-INIZCTEOSA-N 2 2 302.422 1.528 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390853 901960133 /nfs/dbraw/zinc/96/01/33/901960133.db2.gz OVAUWVCJAWJIQH-CQSZACIVSA-N 2 2 310.401 1.980 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390853 901960143 /nfs/dbraw/zinc/96/01/43/901960143.db2.gz OVAUWVCJAWJIQH-CQSZACIVSA-N 2 2 310.401 1.980 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279529050 903305960 /nfs/dbraw/zinc/30/59/60/903305960.db2.gz ILYWVZWLXHGRDN-KRWDZBQOSA-N 2 2 320.437 1.170 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001279529050 903305970 /nfs/dbraw/zinc/30/59/70/903305970.db2.gz ILYWVZWLXHGRDN-KRWDZBQOSA-N 2 2 320.437 1.170 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001280659995 903892047 /nfs/dbraw/zinc/89/20/47/903892047.db2.gz PIFYBXDQYDSHNG-AWEZNQCLSA-N 2 2 320.437 1.471 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001282643896 905915938 /nfs/dbraw/zinc/91/59/38/905915938.db2.gz UQIRNWFKXILZBY-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001283449624 907369799 /nfs/dbraw/zinc/36/97/99/907369799.db2.gz NHZMFDGVNPMGSP-HZPDHXFCSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001372542216 907582323 /nfs/dbraw/zinc/58/23/23/907582323.db2.gz AZFSELGSZMHPNL-CQSZACIVSA-N 2 2 315.845 1.042 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001372542216 907582329 /nfs/dbraw/zinc/58/23/29/907582329.db2.gz AZFSELGSZMHPNL-CQSZACIVSA-N 2 2 315.845 1.042 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001284603613 909239602 /nfs/dbraw/zinc/23/96/02/909239602.db2.gz JDFXWXBIMXXURD-ZBFHGGJFSA-N 2 2 316.449 1.589 20 30 DDEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375317259 915575941 /nfs/dbraw/zinc/57/59/41/915575941.db2.gz BDNPMMPHJAZEEK-SWLSCSKDSA-N 2 2 320.462 1.650 20 30 DDEDLP C[C@@H]1C[C@]1(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000590671506 355142437 /nfs/dbraw/zinc/14/24/37/355142437.db2.gz QYRDZGGHCFQGEF-CRAIPNDOSA-N 2 2 318.465 1.603 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(C#N)cc3F)C2)CC1 ZINC000591147569 355254619 /nfs/dbraw/zinc/25/46/19/355254619.db2.gz JKSPIKLDHBIDKI-ZDUSSCGKSA-N 2 2 303.385 1.673 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(C#N)cc3F)C2)CC1 ZINC000591147569 355254621 /nfs/dbraw/zinc/25/46/21/355254621.db2.gz JKSPIKLDHBIDKI-ZDUSSCGKSA-N 2 2 303.385 1.673 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000591742882 355375438 /nfs/dbraw/zinc/37/54/38/355375438.db2.gz PZHVLTFTCZJEMY-DLBZAZTESA-N 2 2 317.433 1.762 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000594437947 356214866 /nfs/dbraw/zinc/21/48/66/356214866.db2.gz YAOMWDNXVYMCQC-INIZCTEOSA-N 2 2 315.421 1.137 20 30 DDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500157 356519921 /nfs/dbraw/zinc/51/99/21/356519921.db2.gz BVPYBRHSZWGNNB-HOTGVXAUSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500157 356519925 /nfs/dbraw/zinc/51/99/25/356519925.db2.gz BVPYBRHSZWGNNB-HOTGVXAUSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500157 356519928 /nfs/dbraw/zinc/51/99/28/356519928.db2.gz BVPYBRHSZWGNNB-HOTGVXAUSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500157 356519932 /nfs/dbraw/zinc/51/99/32/356519932.db2.gz BVPYBRHSZWGNNB-HOTGVXAUSA-N 2 2 318.421 1.107 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081572965 192294735 /nfs/dbraw/zinc/29/47/35/192294735.db2.gz OPKNTTSLZNRVBR-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081572965 192294738 /nfs/dbraw/zinc/29/47/38/192294738.db2.gz OPKNTTSLZNRVBR-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081572965 192294740 /nfs/dbraw/zinc/29/47/40/192294740.db2.gz OPKNTTSLZNRVBR-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081572965 192294743 /nfs/dbraw/zinc/29/47/43/192294743.db2.gz OPKNTTSLZNRVBR-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP N#Cc1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595866300 356683651 /nfs/dbraw/zinc/68/36/51/356683651.db2.gz JVFNJXDVIIQLHL-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595866300 356683654 /nfs/dbraw/zinc/68/36/54/356683654.db2.gz JVFNJXDVIIQLHL-KRWDZBQOSA-N 2 2 315.417 1.468 20 30 DDEDLP Cc1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1C#N ZINC000599266466 357868223 /nfs/dbraw/zinc/86/82/23/357868223.db2.gz IACVBAAKXHCWNX-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600750025 358306689 /nfs/dbraw/zinc/30/66/89/358306689.db2.gz TWQPKGUFYAGJLZ-HUUCEWRRSA-N 2 2 309.454 1.520 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600750025 358306692 /nfs/dbraw/zinc/30/66/92/358306692.db2.gz TWQPKGUFYAGJLZ-HUUCEWRRSA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@@H](C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602606652 359069662 /nfs/dbraw/zinc/06/96/62/359069662.db2.gz BSRKFSGTQZJITE-HNNXBMFYSA-N 2 2 303.406 1.647 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000602717895 359146417 /nfs/dbraw/zinc/14/64/17/359146417.db2.gz JTXHKVMJZOZDOZ-RDJZCZTQSA-N 2 2 321.465 1.928 20 30 DDEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602866162 359249894 /nfs/dbraw/zinc/24/98/94/359249894.db2.gz YWJIBZWXPVRPMB-INIZCTEOSA-N 2 2 314.433 1.531 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330199358 223087026 /nfs/dbraw/zinc/08/70/26/223087026.db2.gz VHYWBTMVRBFVRN-STQMWFEESA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330199358 223087028 /nfs/dbraw/zinc/08/70/28/223087028.db2.gz VHYWBTMVRBFVRN-STQMWFEESA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330199358 223087030 /nfs/dbraw/zinc/08/70/30/223087030.db2.gz VHYWBTMVRBFVRN-STQMWFEESA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330199358 223087033 /nfs/dbraw/zinc/08/70/33/223087033.db2.gz VHYWBTMVRBFVRN-STQMWFEESA-N 2 2 303.410 1.186 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000613255864 361352323 /nfs/dbraw/zinc/35/23/23/361352323.db2.gz PVJJIZKJMDHVMU-KFWWJZLASA-N 2 2 315.421 1.583 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001120496567 781985132 /nfs/dbraw/zinc/98/51/32/781985132.db2.gz DYWIBEJBCALUDB-DLBZAZTESA-N 2 2 321.852 1.212 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861517 406943743 /nfs/dbraw/zinc/94/37/43/406943743.db2.gz PRTRKQWERGEJDJ-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861517 406943745 /nfs/dbraw/zinc/94/37/45/406943745.db2.gz PRTRKQWERGEJDJ-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861517 406943747 /nfs/dbraw/zinc/94/37/47/406943747.db2.gz PRTRKQWERGEJDJ-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861517 406943750 /nfs/dbraw/zinc/94/37/50/406943750.db2.gz PRTRKQWERGEJDJ-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@H+](CCC#N)CC3CC3)cn2)CC1 ZINC000093091471 407194136 /nfs/dbraw/zinc/19/41/36/407194136.db2.gz ZACYQZZDUUACCW-UHFFFAOYSA-N 2 2 314.437 1.354 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@@H+](CCC#N)CC3CC3)cn2)CC1 ZINC000093091471 407194139 /nfs/dbraw/zinc/19/41/39/407194139.db2.gz ZACYQZZDUUACCW-UHFFFAOYSA-N 2 2 314.437 1.354 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000170914908 407555270 /nfs/dbraw/zinc/55/52/70/407555270.db2.gz KMAZYCAQSPXZBG-UHFFFAOYSA-N 2 2 306.410 1.533 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000170914908 407555276 /nfs/dbraw/zinc/55/52/76/407555276.db2.gz KMAZYCAQSPXZBG-UHFFFAOYSA-N 2 2 306.410 1.533 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131772977 407753069 /nfs/dbraw/zinc/75/30/69/407753069.db2.gz XTALXPPFJHREHV-OAHLLOKOSA-N 2 2 302.378 1.297 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131772977 407753077 /nfs/dbraw/zinc/75/30/77/407753077.db2.gz XTALXPPFJHREHV-OAHLLOKOSA-N 2 2 302.378 1.297 20 30 DDEDLP CCCNC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277430139 408938908 /nfs/dbraw/zinc/93/89/08/408938908.db2.gz PVYAYVDXMHREOB-HNNXBMFYSA-N 2 2 306.479 1.918 20 30 DDEDLP CCCNC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277430139 408938912 /nfs/dbraw/zinc/93/89/12/408938912.db2.gz PVYAYVDXMHREOB-HNNXBMFYSA-N 2 2 306.479 1.918 20 30 DDEDLP N#Cc1ncn(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000353963859 409580487 /nfs/dbraw/zinc/58/04/87/409580487.db2.gz YLHAQKVWKZDUQT-MRXNPFEDSA-N 2 2 310.405 1.404 20 30 DDEDLP N#Cc1ncn(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000353963859 409580495 /nfs/dbraw/zinc/58/04/95/409580495.db2.gz YLHAQKVWKZDUQT-MRXNPFEDSA-N 2 2 310.405 1.404 20 30 DDEDLP C[N@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357651138 410163627 /nfs/dbraw/zinc/16/36/27/410163627.db2.gz QQUDHCHRLRPHGR-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP C[N@@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357651138 410163631 /nfs/dbraw/zinc/16/36/31/410163631.db2.gz QQUDHCHRLRPHGR-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP CC(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)NCC[NH+](C)C ZINC000352795398 410681663 /nfs/dbraw/zinc/68/16/63/410681663.db2.gz JIJOXXOGIUGJPG-ZDUSSCGKSA-N 2 2 323.466 1.197 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000330662825 410860363 /nfs/dbraw/zinc/86/03/63/410860363.db2.gz DLISRCVZWHGBOQ-UHFFFAOYSA-N 2 2 306.435 1.262 20 30 DDEDLP C=CC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370958 422988200 /nfs/dbraw/zinc/98/82/00/422988200.db2.gz YIJPZRQPOFYHTQ-CQSZACIVSA-N 2 2 308.470 1.666 20 30 DDEDLP C=CC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370958 422988205 /nfs/dbraw/zinc/98/82/05/422988205.db2.gz YIJPZRQPOFYHTQ-CQSZACIVSA-N 2 2 308.470 1.666 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367142310 418564870 /nfs/dbraw/zinc/56/48/70/418564870.db2.gz USMYBIJGGUCNGP-SJORKVTESA-N 2 2 320.481 1.945 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367142310 418564872 /nfs/dbraw/zinc/56/48/72/418564872.db2.gz USMYBIJGGUCNGP-SJORKVTESA-N 2 2 320.481 1.945 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264120657 222320884 /nfs/dbraw/zinc/32/08/84/222320884.db2.gz UQTFGUGGRCNCMY-HNNXBMFYSA-N 2 2 301.438 1.287 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCCCC2)cc1 ZINC000267005224 222366920 /nfs/dbraw/zinc/36/69/20/222366920.db2.gz JOZQUUQMKDSTPU-UHFFFAOYSA-N 2 2 318.421 1.398 20 30 DDEDLP CC#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364055065 418772748 /nfs/dbraw/zinc/77/27/48/418772748.db2.gz JFVQOEKTMIZZOJ-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364055065 418772750 /nfs/dbraw/zinc/77/27/50/418772750.db2.gz JFVQOEKTMIZZOJ-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000365478691 418865797 /nfs/dbraw/zinc/86/57/97/418865797.db2.gz OABKTOOUKQRBPY-CQSZACIVSA-N 2 2 300.406 1.404 20 30 DDEDLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C#N ZINC000372816463 418905533 /nfs/dbraw/zinc/90/55/33/418905533.db2.gz UJZQJVHDQOTZQD-MRXNPFEDSA-N 2 2 301.438 1.109 20 30 DDEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)c1C ZINC000420405735 420265964 /nfs/dbraw/zinc/26/59/64/420265964.db2.gz PKDPVGSGCQQOFJ-UHFFFAOYSA-N 2 2 305.422 1.259 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000530230932 421588319 /nfs/dbraw/zinc/58/83/19/421588319.db2.gz DUHCPGBGFYZWSS-COXVUDFISA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000530230932 421588322 /nfs/dbraw/zinc/58/83/22/421588322.db2.gz DUHCPGBGFYZWSS-COXVUDFISA-N 2 2 315.417 1.370 20 30 DDEDLP Cc1cc(NC[C@@H](C)[NH+](C)C)c(C#N)c(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000596089854 422365604 /nfs/dbraw/zinc/36/56/04/422365604.db2.gz KVMZCSNABQKRTP-KGLIPLIRSA-N 3 2 318.469 1.986 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612379521 422481794 /nfs/dbraw/zinc/48/17/94/422481794.db2.gz STYOFSFQKFVHMG-QGZVFWFLSA-N 2 2 321.469 1.348 20 30 DDEDLP C=CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000661569768 423907226 /nfs/dbraw/zinc/90/72/26/423907226.db2.gz DRSXKAGYNNYNBP-UHFFFAOYSA-N 2 2 308.470 1.812 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833772 424782496 /nfs/dbraw/zinc/78/24/96/424782496.db2.gz QPIXKOSVFUSLQD-AIANPOQGSA-N 2 2 309.454 1.299 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833772 424782498 /nfs/dbraw/zinc/78/24/98/424782498.db2.gz QPIXKOSVFUSLQD-AIANPOQGSA-N 2 2 309.454 1.299 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330176023 276751958 /nfs/dbraw/zinc/75/19/58/276751958.db2.gz JPIJWMZZEHUCTI-AWEZNQCLSA-N 2 2 319.453 1.966 20 30 DDEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329742129 277036905 /nfs/dbraw/zinc/03/69/05/277036905.db2.gz PDRVBOQPOYHORS-ZDUSSCGKSA-N 2 2 317.437 1.741 20 30 DDEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329742129 277036906 /nfs/dbraw/zinc/03/69/06/277036906.db2.gz PDRVBOQPOYHORS-ZDUSSCGKSA-N 2 2 317.437 1.741 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000369835961 277221721 /nfs/dbraw/zinc/22/17/21/277221721.db2.gz RBCCGXJPWXCHSM-ILOCAZANSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000369835961 277221722 /nfs/dbraw/zinc/22/17/22/277221722.db2.gz RBCCGXJPWXCHSM-ILOCAZANSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022876 /nfs/dbraw/zinc/02/28/76/308022876.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022877 /nfs/dbraw/zinc/02/28/77/308022877.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022879 /nfs/dbraw/zinc/02/28/79/308022879.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 2 2 305.422 1.490 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934183 533896846 /nfs/dbraw/zinc/89/68/46/533896846.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934183 533896848 /nfs/dbraw/zinc/89/68/48/533896848.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934183 533896865 /nfs/dbraw/zinc/89/68/65/533896865.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934183 533896867 /nfs/dbraw/zinc/89/68/67/533896867.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000329934183 533896872 /nfs/dbraw/zinc/89/68/72/533896872.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000329934183 533896875 /nfs/dbraw/zinc/89/68/75/533896875.db2.gz BWQGJPVNZMWSIV-HZSPNIEDSA-N 2 2 305.426 1.432 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491761977 526829756 /nfs/dbraw/zinc/82/97/56/526829756.db2.gz YNNGHFBFHSXVFE-HUUCEWRRSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491761977 526829763 /nfs/dbraw/zinc/82/97/63/526829763.db2.gz YNNGHFBFHSXVFE-HUUCEWRRSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491761977 526829767 /nfs/dbraw/zinc/82/97/67/526829767.db2.gz YNNGHFBFHSXVFE-HUUCEWRRSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491761977 526829772 /nfs/dbraw/zinc/82/97/72/526829772.db2.gz YNNGHFBFHSXVFE-HUUCEWRRSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000491503727 526903607 /nfs/dbraw/zinc/90/36/07/526903607.db2.gz DUUCHNHJOIDNBN-OAHLLOKOSA-N 2 2 314.433 1.961 20 30 DDEDLP C#CC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000491503727 526903613 /nfs/dbraw/zinc/90/36/13/526903613.db2.gz DUUCHNHJOIDNBN-OAHLLOKOSA-N 2 2 314.433 1.961 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)CC1 ZINC000490740169 526947461 /nfs/dbraw/zinc/94/74/61/526947461.db2.gz IVOCKZLVFNTBHG-HOTGVXAUSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](SCC)C2)CC1 ZINC000490740169 526947462 /nfs/dbraw/zinc/94/74/62/526947462.db2.gz IVOCKZLVFNTBHG-HOTGVXAUSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)CC1 ZINC000490740171 526947923 /nfs/dbraw/zinc/94/79/23/526947923.db2.gz IVOCKZLVFNTBHG-JKSUJKDBSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)CC1 ZINC000490740171 526947924 /nfs/dbraw/zinc/94/79/24/526947924.db2.gz IVOCKZLVFNTBHG-JKSUJKDBSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000490739724 526948857 /nfs/dbraw/zinc/94/88/57/526948857.db2.gz GLXXENIGSLPVHR-KRWDZBQOSA-N 2 2 313.445 1.499 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000490739724 526948864 /nfs/dbraw/zinc/94/88/64/526948864.db2.gz GLXXENIGSLPVHR-KRWDZBQOSA-N 2 2 313.445 1.499 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000490865798 526950880 /nfs/dbraw/zinc/95/08/80/526950880.db2.gz HQAIDOMIAPISJC-GOSISDBHSA-N 2 2 311.429 1.081 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000490865798 526950885 /nfs/dbraw/zinc/95/08/85/526950885.db2.gz HQAIDOMIAPISJC-GOSISDBHSA-N 2 2 311.429 1.081 20 30 DDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)nn1 ZINC000424295562 527374240 /nfs/dbraw/zinc/37/42/40/527374240.db2.gz MZKPYLAMHZQOIV-NVXWUHKLSA-N 2 2 321.469 1.691 20 30 DDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)nn1 ZINC000424295562 527374245 /nfs/dbraw/zinc/37/42/45/527374245.db2.gz MZKPYLAMHZQOIV-NVXWUHKLSA-N 2 2 321.469 1.691 20 30 DDEDLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331250799 527590508 /nfs/dbraw/zinc/59/05/08/527590508.db2.gz SOBRBPRCBVORLE-UHFFFAOYSA-N 2 2 307.398 1.275 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181068 528985595 /nfs/dbraw/zinc/98/55/95/528985595.db2.gz NUVTVQXSUAHSFC-AWEZNQCLSA-N 2 2 305.426 1.574 20 30 DDEDLP CC(C)[NH+]1CCC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181068 528985599 /nfs/dbraw/zinc/98/55/99/528985599.db2.gz NUVTVQXSUAHSFC-AWEZNQCLSA-N 2 2 305.426 1.574 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375939 695234122 /nfs/dbraw/zinc/23/41/22/695234122.db2.gz SVDYRINXTBIBGH-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375939 695234123 /nfs/dbraw/zinc/23/41/23/695234123.db2.gz SVDYRINXTBIBGH-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000972583868 695290200 /nfs/dbraw/zinc/29/02/00/695290200.db2.gz ZTYHAPDDWOMIEN-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000972583868 695290202 /nfs/dbraw/zinc/29/02/02/695290202.db2.gz ZTYHAPDDWOMIEN-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738874 695722674 /nfs/dbraw/zinc/72/26/74/695722674.db2.gz DPYYYFJBROOKPA-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738874 695722675 /nfs/dbraw/zinc/72/26/75/695722675.db2.gz DPYYYFJBROOKPA-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC000978285720 696358454 /nfs/dbraw/zinc/35/84/54/696358454.db2.gz VPVDVBRBLNCNKA-JONQDZQNSA-N 2 2 321.852 1.131 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC000978285720 696358457 /nfs/dbraw/zinc/35/84/57/696358457.db2.gz VPVDVBRBLNCNKA-JONQDZQNSA-N 2 2 321.852 1.131 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=C)Cl)C[C@H]21 ZINC000978285720 696358460 /nfs/dbraw/zinc/35/84/60/696358460.db2.gz VPVDVBRBLNCNKA-JONQDZQNSA-N 2 2 321.852 1.131 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=C)Cl)C[C@H]21 ZINC000978285720 696358462 /nfs/dbraw/zinc/35/84/62/696358462.db2.gz VPVDVBRBLNCNKA-JONQDZQNSA-N 2 2 321.852 1.131 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980139188 696690148 /nfs/dbraw/zinc/69/01/48/696690148.db2.gz FGMRSZMIPVPONX-XHSDSOJGSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980139188 696690149 /nfs/dbraw/zinc/69/01/49/696690149.db2.gz FGMRSZMIPVPONX-XHSDSOJGSA-N 2 2 322.412 1.798 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482798 697107928 /nfs/dbraw/zinc/10/79/28/697107928.db2.gz CEJUOTNRKBLNLN-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482798 697107930 /nfs/dbraw/zinc/10/79/30/697107930.db2.gz CEJUOTNRKBLNLN-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCC1 ZINC000263122881 698492552 /nfs/dbraw/zinc/49/25/52/698492552.db2.gz MERQWPZXKLPLEZ-HNNXBMFYSA-N 2 2 304.463 1.624 20 30 DDEDLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CCC1 ZINC000263122881 698492555 /nfs/dbraw/zinc/49/25/55/698492555.db2.gz MERQWPZXKLPLEZ-HNNXBMFYSA-N 2 2 304.463 1.624 20 30 DDEDLP N#CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817919716 702522306 /nfs/dbraw/zinc/52/23/06/702522306.db2.gz UXSIOQRAVYTNOT-DLBZAZTESA-N 2 2 301.390 1.446 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870152347 703934565 /nfs/dbraw/zinc/93/45/65/703934565.db2.gz MEHJTKPBBLNZJL-INIZCTEOSA-N 2 2 303.406 1.286 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@H]2CC2(F)F)cc1 ZINC000853673243 704297220 /nfs/dbraw/zinc/29/72/20/704297220.db2.gz CBMLVJYXWQHRJC-ZDUSSCGKSA-N 2 2 313.348 1.809 20 30 DDEDLP C#CCCOC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000859200901 704819612 /nfs/dbraw/zinc/81/96/12/704819612.db2.gz QZPPUYSGEIZNAW-UHFFFAOYSA-N 2 2 307.438 1.638 20 30 DDEDLP C#CCCOC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000859200901 704819614 /nfs/dbraw/zinc/81/96/14/704819614.db2.gz QZPPUYSGEIZNAW-UHFFFAOYSA-N 2 2 307.438 1.638 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883131541 707935272 /nfs/dbraw/zinc/93/52/72/707935272.db2.gz GUSIZWCNBRIJMH-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883131541 707935276 /nfs/dbraw/zinc/93/52/76/707935276.db2.gz GUSIZWCNBRIJMH-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP C#CC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000883416835 707996797 /nfs/dbraw/zinc/99/67/97/707996797.db2.gz GXHKHWFPRUKFES-HNNXBMFYSA-N 2 2 318.465 1.400 20 30 DDEDLP C#CC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000883416835 707996799 /nfs/dbraw/zinc/99/67/99/707996799.db2.gz GXHKHWFPRUKFES-HNNXBMFYSA-N 2 2 318.465 1.400 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187927 708711357 /nfs/dbraw/zinc/71/13/57/708711357.db2.gz FYKIMZMQIZOLOE-IAGOWNOFSA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187927 708711359 /nfs/dbraw/zinc/71/13/59/708711359.db2.gz FYKIMZMQIZOLOE-IAGOWNOFSA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187929 708711694 /nfs/dbraw/zinc/71/16/94/708711694.db2.gz FYKIMZMQIZOLOE-SJORKVTESA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187929 708711696 /nfs/dbraw/zinc/71/16/96/708711696.db2.gz FYKIMZMQIZOLOE-SJORKVTESA-N 2 2 321.465 1.618 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894639656 711226384 /nfs/dbraw/zinc/22/63/84/711226384.db2.gz QNMPNIYSWYYRKB-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894639656 711226387 /nfs/dbraw/zinc/22/63/87/711226387.db2.gz QNMPNIYSWYYRKB-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C#N ZINC000905465414 712045475 /nfs/dbraw/zinc/04/54/75/712045475.db2.gz PHIVGUQETHEZCS-HNNXBMFYSA-N 2 2 305.447 1.826 20 30 DDEDLP C=CC[C@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000905762433 712141287 /nfs/dbraw/zinc/14/12/87/712141287.db2.gz SLKOBNAPKARTLQ-INIZCTEOSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000930136637 713764617 /nfs/dbraw/zinc/76/46/17/713764617.db2.gz BOSCPAQXAUKHIH-UHFFFAOYSA-N 2 2 311.389 1.862 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000923581252 714414970 /nfs/dbraw/zinc/41/49/70/714414970.db2.gz BENPFMQULXHWNH-GOSISDBHSA-N 2 2 322.412 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000923581252 714414972 /nfs/dbraw/zinc/41/49/72/714414972.db2.gz BENPFMQULXHWNH-GOSISDBHSA-N 2 2 322.412 1.759 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941041661 717085046 /nfs/dbraw/zinc/08/50/46/717085046.db2.gz OSJPRHJOBPFART-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941041661 717085048 /nfs/dbraw/zinc/08/50/48/717085048.db2.gz OSJPRHJOBPFART-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000962363180 717423638 /nfs/dbraw/zinc/42/36/38/717423638.db2.gz UYVYKWSFTKHYHI-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942177480 717527886 /nfs/dbraw/zinc/52/78/86/717527886.db2.gz VVTSHXINYXKIRH-ZFWWWQNUSA-N 2 2 303.406 1.645 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942177480 717527890 /nfs/dbraw/zinc/52/78/90/717527890.db2.gz VVTSHXINYXKIRH-ZFWWWQNUSA-N 2 2 303.406 1.645 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000965847750 717782601 /nfs/dbraw/zinc/78/26/01/717782601.db2.gz LUVWQCVYHLCAMM-UHFFFAOYSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444748 717792084 /nfs/dbraw/zinc/79/20/84/717792084.db2.gz WRGULPBXWJQDLN-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444748 717792087 /nfs/dbraw/zinc/79/20/87/717792087.db2.gz WRGULPBXWJQDLN-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239946 718480111 /nfs/dbraw/zinc/48/01/11/718480111.db2.gz XTVQSBDJVCSIEZ-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239946 718480115 /nfs/dbraw/zinc/48/01/15/718480115.db2.gz XTVQSBDJVCSIEZ-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489302 718566021 /nfs/dbraw/zinc/56/60/21/718566021.db2.gz JLBZUUUWMFRRFE-UKRRQHHQSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489302 718566024 /nfs/dbraw/zinc/56/60/24/718566024.db2.gz JLBZUUUWMFRRFE-UKRRQHHQSA-N 2 2 319.474 1.883 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089410 718762308 /nfs/dbraw/zinc/76/23/08/718762308.db2.gz RYOFOYGSILFTEV-BBRMVZONSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089410 718762310 /nfs/dbraw/zinc/76/23/10/718762310.db2.gz RYOFOYGSILFTEV-BBRMVZONSA-N 2 2 320.437 1.753 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056051 719405488 /nfs/dbraw/zinc/40/54/88/719405488.db2.gz IGFGDKFQGLAGIC-UKRRQHHQSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968056051 719405490 /nfs/dbraw/zinc/40/54/90/719405490.db2.gz IGFGDKFQGLAGIC-UKRRQHHQSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567981 719552765 /nfs/dbraw/zinc/55/27/65/719552765.db2.gz YLACUVLCEGRFCN-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948567981 719552768 /nfs/dbraw/zinc/55/27/68/719552768.db2.gz YLACUVLCEGRFCN-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554437 719662455 /nfs/dbraw/zinc/66/24/55/719662455.db2.gz VQFQNBCUYAYWKH-HIFRSBDPSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554437 719662456 /nfs/dbraw/zinc/66/24/56/719662456.db2.gz VQFQNBCUYAYWKH-HIFRSBDPSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948825729 719732612 /nfs/dbraw/zinc/73/26/12/719732612.db2.gz PEMOGRSEUMFSSB-KRWDZBQOSA-N 2 2 317.477 1.664 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948825729 719732615 /nfs/dbraw/zinc/73/26/15/719732615.db2.gz PEMOGRSEUMFSSB-KRWDZBQOSA-N 2 2 317.477 1.664 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783692 720291756 /nfs/dbraw/zinc/29/17/56/720291756.db2.gz YDOYTNGZVRJTPS-CYBMUJFWSA-N 2 2 319.474 1.883 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783694 720291924 /nfs/dbraw/zinc/29/19/24/720291924.db2.gz YDOYTNGZVRJTPS-ZDUSSCGKSA-N 2 2 319.474 1.883 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949840445 720376103 /nfs/dbraw/zinc/37/61/03/720376103.db2.gz DLRMUFJYIIFIDQ-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949840445 720376104 /nfs/dbraw/zinc/37/61/04/720376104.db2.gz DLRMUFJYIIFIDQ-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950639927 720716893 /nfs/dbraw/zinc/71/68/93/720716893.db2.gz WULMFBGGZAILGZ-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970730568 720912892 /nfs/dbraw/zinc/91/28/92/720912892.db2.gz IWWYGZZUPUFHMY-CQSZACIVSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696427 738559907 /nfs/dbraw/zinc/55/99/07/738559907.db2.gz NTZDFSLUISUHKO-IRXDYDNUSA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696427 738559909 /nfs/dbraw/zinc/55/99/09/738559909.db2.gz NTZDFSLUISUHKO-IRXDYDNUSA-N 2 2 314.433 1.240 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209316 733383866 /nfs/dbraw/zinc/38/38/66/733383866.db2.gz APLHRWSJBSOPGS-HRCADAONSA-N 2 2 318.421 1.322 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209316 733383868 /nfs/dbraw/zinc/38/38/68/733383868.db2.gz APLHRWSJBSOPGS-HRCADAONSA-N 2 2 318.421 1.322 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(=C)C ZINC001027944551 738845778 /nfs/dbraw/zinc/84/57/78/738845778.db2.gz ZRTWOTSLTXWDRJ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(=C)C ZINC001027944551 738845781 /nfs/dbraw/zinc/84/57/81/738845781.db2.gz ZRTWOTSLTXWDRJ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(=C)C ZINC001027944551 738845785 /nfs/dbraw/zinc/84/57/85/738845785.db2.gz ZRTWOTSLTXWDRJ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(=C)C ZINC001027944551 738845790 /nfs/dbraw/zinc/84/57/90/738845790.db2.gz ZRTWOTSLTXWDRJ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427759 735226664 /nfs/dbraw/zinc/22/66/64/735226664.db2.gz QSUPXPQHJWGQCX-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427759 735226668 /nfs/dbraw/zinc/22/66/68/735226668.db2.gz QSUPXPQHJWGQCX-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427759 735226674 /nfs/dbraw/zinc/22/66/74/735226674.db2.gz QSUPXPQHJWGQCX-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427759 735226677 /nfs/dbraw/zinc/22/66/77/735226677.db2.gz QSUPXPQHJWGQCX-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738300 736694722 /nfs/dbraw/zinc/69/47/22/736694722.db2.gz OWGDBEZZMLMNLX-BRWVUGGUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026517033 737628088 /nfs/dbraw/zinc/62/80/88/737628088.db2.gz MDZVFXHWQLZECP-WLYUNCDWSA-N 2 2 302.422 1.649 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421664 738277993 /nfs/dbraw/zinc/27/79/93/738277993.db2.gz QZOJCGDPYBDRPH-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001027421664 738277996 /nfs/dbraw/zinc/27/79/96/738277996.db2.gz QZOJCGDPYBDRPH-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468643 738322368 /nfs/dbraw/zinc/32/23/68/738322368.db2.gz MUGYPISSTICRIZ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468643 738322372 /nfs/dbraw/zinc/32/23/72/738322372.db2.gz MUGYPISSTICRIZ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028129484 739071876 /nfs/dbraw/zinc/07/18/76/739071876.db2.gz DXJGIZQULGEYLT-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028129484 739071880 /nfs/dbraw/zinc/07/18/80/739071880.db2.gz DXJGIZQULGEYLT-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594224 739755712 /nfs/dbraw/zinc/75/57/12/739755712.db2.gz FICAZNAYWPKVSA-KGLIPLIRSA-N 2 2 322.840 1.951 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594224 739755714 /nfs/dbraw/zinc/75/57/14/739755714.db2.gz FICAZNAYWPKVSA-KGLIPLIRSA-N 2 2 322.840 1.951 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC001126436804 740110367 /nfs/dbraw/zinc/11/03/67/740110367.db2.gz MWWVXXOSRZIGIY-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038423855 740287970 /nfs/dbraw/zinc/28/79/70/740287970.db2.gz GGEQHPKYCWALHF-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001038423855 740287974 /nfs/dbraw/zinc/28/79/74/740287974.db2.gz GGEQHPKYCWALHF-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038443975 740601265 /nfs/dbraw/zinc/60/12/65/740601265.db2.gz YJKHOGRLBZXLQU-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038443975 740601267 /nfs/dbraw/zinc/60/12/67/740601267.db2.gz YJKHOGRLBZXLQU-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338116 741411341 /nfs/dbraw/zinc/41/13/41/741411341.db2.gz VPKSNMPDMHDZLR-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076095795 742536671 /nfs/dbraw/zinc/53/66/71/742536671.db2.gz NDAATNSKHDLELG-FUHWJXTLSA-N 2 2 320.396 1.652 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076095795 742536675 /nfs/dbraw/zinc/53/66/75/742536675.db2.gz NDAATNSKHDLELG-FUHWJXTLSA-N 2 2 320.396 1.652 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035719061 751807563 /nfs/dbraw/zinc/80/75/63/751807563.db2.gz UOAFXAFBUFIPAR-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035719061 751807574 /nfs/dbraw/zinc/80/75/74/751807574.db2.gz UOAFXAFBUFIPAR-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185204548 744179719 /nfs/dbraw/zinc/17/97/19/744179719.db2.gz JRTWNWQCHGTTTP-YPMHNXCESA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223546 745418298 /nfs/dbraw/zinc/41/82/98/745418298.db2.gz JIMCWJHCEUVINU-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223546 745418302 /nfs/dbraw/zinc/41/83/02/745418302.db2.gz JIMCWJHCEUVINU-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106339856 745613250 /nfs/dbraw/zinc/61/32/50/745613250.db2.gz CJFDHXMVLWZMAQ-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419288 745679298 /nfs/dbraw/zinc/67/92/98/745679298.db2.gz CSMJTWCQWNXMJW-HUUCEWRRSA-N 2 2 310.401 1.655 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001003191944 747034299 /nfs/dbraw/zinc/03/42/99/747034299.db2.gz AXHRFLJAVWKEOG-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089506025 747129966 /nfs/dbraw/zinc/12/99/66/747129966.db2.gz JFTSBVHVRFBLGQ-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089506025 747129968 /nfs/dbraw/zinc/12/99/68/747129968.db2.gz JFTSBVHVRFBLGQ-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568121 747251312 /nfs/dbraw/zinc/25/13/12/747251312.db2.gz DJCHDWTWKKRMEH-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568121 747251314 /nfs/dbraw/zinc/25/13/14/747251314.db2.gz DJCHDWTWKKRMEH-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001036121170 752189413 /nfs/dbraw/zinc/18/94/13/752189413.db2.gz CXWQYOFMAOHCGY-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C#N)c(C(F)(F)F)n2)CC1 ZINC001168734776 748367370 /nfs/dbraw/zinc/36/73/70/748367370.db2.gz ANHVPLGBUZCDQW-UHFFFAOYSA-N 2 2 312.299 1.566 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201102792 748410212 /nfs/dbraw/zinc/41/02/12/748410212.db2.gz AKNIEUMYCJLBAN-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687557 752274085 /nfs/dbraw/zinc/27/40/85/752274085.db2.gz NDQKGBFRCZAYAY-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007687557 752274091 /nfs/dbraw/zinc/27/40/91/752274091.db2.gz NDQKGBFRCZAYAY-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525175 748540892 /nfs/dbraw/zinc/54/08/92/748540892.db2.gz QMJIUFAKKNONKT-HUUCEWRRSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098746 749069029 /nfs/dbraw/zinc/06/90/29/749069029.db2.gz ZBXXZQGKEMGOAO-AEFFLSMTSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098746 749069033 /nfs/dbraw/zinc/06/90/33/749069033.db2.gz ZBXXZQGKEMGOAO-AEFFLSMTSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413593 749309552 /nfs/dbraw/zinc/30/95/52/749309552.db2.gz GLLQKWKCOZJYMA-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413593 749309559 /nfs/dbraw/zinc/30/95/59/749309559.db2.gz GLLQKWKCOZJYMA-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995978290 749312051 /nfs/dbraw/zinc/31/20/51/749312051.db2.gz HNUNSCUVBZOSGI-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428765 749349139 /nfs/dbraw/zinc/34/91/39/749349139.db2.gz BJQDODDLYVPFEN-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033428765 749349147 /nfs/dbraw/zinc/34/91/47/749349147.db2.gz BJQDODDLYVPFEN-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033879917 750042936 /nfs/dbraw/zinc/04/29/36/750042936.db2.gz HUWQBTIUJBXHTM-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033879917 750042941 /nfs/dbraw/zinc/04/29/41/750042941.db2.gz HUWQBTIUJBXHTM-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639481 750102793 /nfs/dbraw/zinc/10/27/93/750102793.db2.gz GAWFCBFSXSHAAU-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639481 750102800 /nfs/dbraw/zinc/10/28/00/750102800.db2.gz GAWFCBFSXSHAAU-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997189599 750676225 /nfs/dbraw/zinc/67/62/25/750676225.db2.gz XQKMUOYWMSZNDM-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](F)CC)CC1 ZINC001032800286 754055662 /nfs/dbraw/zinc/05/56/62/754055662.db2.gz FWKPZEWJUVKFMJ-IKGGRYGDSA-N 2 2 321.440 1.365 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](F)CC)CC1 ZINC001032800286 754055665 /nfs/dbraw/zinc/05/56/65/754055665.db2.gz FWKPZEWJUVKFMJ-IKGGRYGDSA-N 2 2 321.440 1.365 20 30 DDEDLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016252512 754250666 /nfs/dbraw/zinc/25/06/66/754250666.db2.gz SGCZQNFYZCEAOM-GOSISDBHSA-N 2 2 311.429 1.324 20 30 DDEDLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016252512 754250672 /nfs/dbraw/zinc/25/06/72/754250672.db2.gz SGCZQNFYZCEAOM-GOSISDBHSA-N 2 2 311.429 1.324 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001015292235 756222400 /nfs/dbraw/zinc/22/24/00/756222400.db2.gz AZTYRACSUANRKJ-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015292235 756222403 /nfs/dbraw/zinc/22/24/03/756222403.db2.gz AZTYRACSUANRKJ-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016689068 757269548 /nfs/dbraw/zinc/26/95/48/757269548.db2.gz VPQVBECDNHPURH-INIZCTEOSA-N 2 2 308.385 1.780 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016735985 757307508 /nfs/dbraw/zinc/30/75/08/757307508.db2.gz FFGIFCYLNYANAN-AWEZNQCLSA-N 2 2 322.840 1.915 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104332 758155021 /nfs/dbraw/zinc/15/50/21/758155021.db2.gz OEWWQGODFVTRTG-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104332 758155025 /nfs/dbraw/zinc/15/50/25/758155025.db2.gz OEWWQGODFVTRTG-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)CCO2 ZINC001053281277 758335000 /nfs/dbraw/zinc/33/50/00/758335000.db2.gz XISHSSZLBSTOIK-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CCO2 ZINC001053281277 758335016 /nfs/dbraw/zinc/33/50/16/758335016.db2.gz XISHSSZLBSTOIK-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001018877228 759360096 /nfs/dbraw/zinc/36/00/96/759360096.db2.gz PAZXFOVOPVOSCH-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365416 759857299 /nfs/dbraw/zinc/85/72/99/759857299.db2.gz ADVKQYOSATYYBA-NWDGAFQWSA-N 2 2 308.813 1.773 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258568 767907106 /nfs/dbraw/zinc/90/71/06/767907106.db2.gz CJEGMLNBGYYXPN-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258568 767907109 /nfs/dbraw/zinc/90/71/09/767907109.db2.gz CJEGMLNBGYYXPN-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680958 759994711 /nfs/dbraw/zinc/99/47/11/759994711.db2.gz QBHDKKRCNZXURS-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680958 759994716 /nfs/dbraw/zinc/99/47/16/759994716.db2.gz QBHDKKRCNZXURS-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019654978 760141279 /nfs/dbraw/zinc/14/12/79/760141279.db2.gz HOPKHMYSWVDBKS-INIZCTEOSA-N 2 2 323.400 1.225 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038339364 761022475 /nfs/dbraw/zinc/02/24/75/761022475.db2.gz GPJOHRRPOODNRI-JKSUJKDBSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038339364 761022484 /nfs/dbraw/zinc/02/24/84/761022484.db2.gz GPJOHRRPOODNRI-JKSUJKDBSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038339364 761022495 /nfs/dbraw/zinc/02/24/95/761022495.db2.gz GPJOHRRPOODNRI-JKSUJKDBSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038339364 761022505 /nfs/dbraw/zinc/02/25/05/761022505.db2.gz GPJOHRRPOODNRI-JKSUJKDBSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086406229 761556175 /nfs/dbraw/zinc/55/61/75/761556175.db2.gz DIQQYBBZLARKTQ-IHRRRGAJSA-N 2 2 322.840 1.682 20 30 DDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001040914659 762732457 /nfs/dbraw/zinc/73/24/57/762732457.db2.gz QQMPFSSWWUFJHL-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419584 763017707 /nfs/dbraw/zinc/01/77/07/763017707.db2.gz VQTDEQVINWDPLQ-CRAIPNDOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419584 763017711 /nfs/dbraw/zinc/01/77/11/763017711.db2.gz VQTDEQVINWDPLQ-CRAIPNDOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503100 763083402 /nfs/dbraw/zinc/08/34/02/763083402.db2.gz MBEMWLGGIBJKDR-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503100 763083407 /nfs/dbraw/zinc/08/34/07/763083407.db2.gz MBEMWLGGIBJKDR-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042335215 763933170 /nfs/dbraw/zinc/93/31/70/763933170.db2.gz JXGBBNHFKHAUFD-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042335215 763933177 /nfs/dbraw/zinc/93/31/77/763933177.db2.gz JXGBBNHFKHAUFD-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772435 764022538 /nfs/dbraw/zinc/02/25/38/764022538.db2.gz MLVTYLGUVHPMCJ-WCVJEAGWSA-N 2 2 300.406 1.579 20 30 DDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042724717 764391985 /nfs/dbraw/zinc/39/19/85/764391985.db2.gz ANPFOJBHKIYPMT-OAHLLOKOSA-N 2 2 305.466 1.970 20 30 DDEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042724717 764391995 /nfs/dbraw/zinc/39/19/95/764391995.db2.gz ANPFOJBHKIYPMT-OAHLLOKOSA-N 2 2 305.466 1.970 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001042964000 764555043 /nfs/dbraw/zinc/55/50/43/764555043.db2.gz YIYYZANAKWFNGF-SFHVURJKSA-N 2 2 317.477 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001042964000 764555052 /nfs/dbraw/zinc/55/50/52/764555052.db2.gz YIYYZANAKWFNGF-SFHVURJKSA-N 2 2 317.477 1.807 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052505853 765897626 /nfs/dbraw/zinc/89/76/26/765897626.db2.gz QLKWCEUSDBLEDO-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052505853 765897630 /nfs/dbraw/zinc/89/76/30/765897630.db2.gz QLKWCEUSDBLEDO-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506671 765900024 /nfs/dbraw/zinc/90/00/24/765900024.db2.gz JBUCSCASLSVHOQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506671 765900031 /nfs/dbraw/zinc/90/00/31/765900031.db2.gz JBUCSCASLSVHOQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001045560886 766401637 /nfs/dbraw/zinc/40/16/37/766401637.db2.gz YODYTXQKAAKKKS-HUUCEWRRSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046329927 767428618 /nfs/dbraw/zinc/42/86/18/767428618.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046329927 767428621 /nfs/dbraw/zinc/42/86/21/767428621.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046329927 767428624 /nfs/dbraw/zinc/42/86/24/767428624.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046329927 767428629 /nfs/dbraw/zinc/42/86/29/767428629.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 2 315.421 1.004 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491441 767555231 /nfs/dbraw/zinc/55/52/31/767555231.db2.gz SQKMTAAFNJJDFR-JSGCOSHPSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491441 767555237 /nfs/dbraw/zinc/55/52/37/767555237.db2.gz SQKMTAAFNJJDFR-JSGCOSHPSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025702 768563043 /nfs/dbraw/zinc/56/30/43/768563043.db2.gz UBEJBRHOUVUIRX-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025702 768563052 /nfs/dbraw/zinc/56/30/52/768563052.db2.gz UBEJBRHOUVUIRX-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132922937 769324038 /nfs/dbraw/zinc/32/40/38/769324038.db2.gz CFKHTMNISDEDPA-ZBFHGGJFSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133134669 769518686 /nfs/dbraw/zinc/51/86/86/769518686.db2.gz GANVKADIIAONLG-GJZGRUSLSA-N 2 2 320.437 1.229 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071606508 769704234 /nfs/dbraw/zinc/70/42/34/769704234.db2.gz JJTUGJSXMAGFGY-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071606508 769704243 /nfs/dbraw/zinc/70/42/43/769704243.db2.gz JJTUGJSXMAGFGY-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900904 770082442 /nfs/dbraw/zinc/08/24/42/770082442.db2.gz OULAHSOHRZPOPI-SOUVJXGZSA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900904 770082453 /nfs/dbraw/zinc/08/24/53/770082453.db2.gz OULAHSOHRZPOPI-SOUVJXGZSA-N 2 2 300.406 1.022 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC=C ZINC001049528835 770983702 /nfs/dbraw/zinc/98/37/02/770983702.db2.gz IMKRASQMYGDPBI-ZACQAIPSSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C ZINC001049528835 770983711 /nfs/dbraw/zinc/98/37/11/770983711.db2.gz IMKRASQMYGDPBI-ZACQAIPSSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC=C ZINC001049528835 770983716 /nfs/dbraw/zinc/98/37/16/770983716.db2.gz IMKRASQMYGDPBI-ZACQAIPSSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC=C ZINC001049528835 770983726 /nfs/dbraw/zinc/98/37/26/770983726.db2.gz IMKRASQMYGDPBI-ZACQAIPSSA-N 2 2 301.434 1.335 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750565 771131715 /nfs/dbraw/zinc/13/17/15/771131715.db2.gz MBNWVKSHLPAAGN-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750565 771131718 /nfs/dbraw/zinc/13/17/18/771131718.db2.gz MBNWVKSHLPAAGN-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086800081 771762718 /nfs/dbraw/zinc/76/27/18/771762718.db2.gz TYPYMISZTXHNOR-MJBXVCDLSA-N 2 2 300.406 1.337 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170987037 772027474 /nfs/dbraw/zinc/02/74/74/772027474.db2.gz GDZMSLXOJRWYRX-UHFFFAOYSA-N 2 2 319.796 1.729 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092748054 774248154 /nfs/dbraw/zinc/24/81/54/774248154.db2.gz NCAPZLYAQXUOCY-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092748054 774248158 /nfs/dbraw/zinc/24/81/58/774248158.db2.gz NCAPZLYAQXUOCY-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785189 774610401 /nfs/dbraw/zinc/61/04/01/774610401.db2.gz AZDPNLUYBSMNRT-HUUCEWRRSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785189 774610407 /nfs/dbraw/zinc/61/04/07/774610407.db2.gz AZDPNLUYBSMNRT-HUUCEWRRSA-N 2 2 322.840 1.949 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098835665 774689605 /nfs/dbraw/zinc/68/96/05/774689605.db2.gz DJGGDDYQIRCDIK-LPHOPBHVSA-N 2 2 322.412 1.860 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098835665 774689606 /nfs/dbraw/zinc/68/96/06/774689606.db2.gz DJGGDDYQIRCDIK-LPHOPBHVSA-N 2 2 322.412 1.860 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882032 775949045 /nfs/dbraw/zinc/94/90/45/775949045.db2.gz FNBZATAVMJNETN-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882032 775949056 /nfs/dbraw/zinc/94/90/56/775949056.db2.gz FNBZATAVMJNETN-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179022296 779248935 /nfs/dbraw/zinc/24/89/35/779248935.db2.gz NMAMFKJYWCPPBW-CFVMTHIKSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001179022296 779248938 /nfs/dbraw/zinc/24/89/38/779248938.db2.gz NMAMFKJYWCPPBW-CFVMTHIKSA-N 2 2 314.433 1.425 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120009892 781721652 /nfs/dbraw/zinc/72/16/52/781721652.db2.gz HWRDSXMLNRMVFR-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996795 844279697 /nfs/dbraw/zinc/27/96/97/844279697.db2.gz RFEMXXUDEFAECZ-NVXWUHKLSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996795 844279707 /nfs/dbraw/zinc/27/97/07/844279707.db2.gz RFEMXXUDEFAECZ-NVXWUHKLSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267557447 838301329 /nfs/dbraw/zinc/30/13/29/838301329.db2.gz FLOUGONYMFAHBV-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267557447 838301341 /nfs/dbraw/zinc/30/13/41/838301341.db2.gz FLOUGONYMFAHBV-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001267603479 838417702 /nfs/dbraw/zinc/41/77/02/838417702.db2.gz WTGYISIGQDWSLA-AWEZNQCLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001267603479 838417710 /nfs/dbraw/zinc/41/77/10/838417710.db2.gz WTGYISIGQDWSLA-AWEZNQCLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001267603479 838417714 /nfs/dbraw/zinc/41/77/14/838417714.db2.gz WTGYISIGQDWSLA-AWEZNQCLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001267603479 838417720 /nfs/dbraw/zinc/41/77/20/838417720.db2.gz WTGYISIGQDWSLA-AWEZNQCLSA-N 2 2 304.438 1.945 20 30 DDEDLP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267809433 839013940 /nfs/dbraw/zinc/01/39/40/839013940.db2.gz LJCDBLFBSQWETP-HZPDHXFCSA-N 2 2 304.438 1.978 20 30 DDEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268319455 839993572 /nfs/dbraw/zinc/99/35/72/839993572.db2.gz XYKXBGGDPSJLPH-MRXNPFEDSA-N 2 2 314.389 1.129 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001269181034 841306239 /nfs/dbraw/zinc/30/62/39/841306239.db2.gz HJTVPZYMBPPMIC-GDBMZVCRSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001280218149 842547354 /nfs/dbraw/zinc/54/73/54/842547354.db2.gz BKTHBBZKSIZXPB-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001280218149 842547373 /nfs/dbraw/zinc/54/73/73/842547373.db2.gz BKTHBBZKSIZXPB-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C[C@H](C#N)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270508751 842629824 /nfs/dbraw/zinc/62/98/24/842629824.db2.gz VYJHKDWQUUVVSZ-OIISXLGYSA-N 2 2 315.421 1.594 20 30 DDEDLP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599496 842707314 /nfs/dbraw/zinc/70/73/14/842707314.db2.gz HTKQOJUYNLHTEB-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599496 842707326 /nfs/dbraw/zinc/70/73/26/842707326.db2.gz HTKQOJUYNLHTEB-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001270744281 842866973 /nfs/dbraw/zinc/86/69/73/842866973.db2.gz KKZWVDOPOAZISQ-GOSISDBHSA-N 2 2 316.449 1.778 20 30 DDEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001273076762 847874079 /nfs/dbraw/zinc/87/40/79/847874079.db2.gz YAZPOEKCTZRYSQ-OAHLLOKOSA-N 2 2 312.417 1.693 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277104 848233620 /nfs/dbraw/zinc/23/36/20/848233620.db2.gz VAVBLYMETNMVSW-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277104 848233626 /nfs/dbraw/zinc/23/36/26/848233626.db2.gz VAVBLYMETNMVSW-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012629 862026038 /nfs/dbraw/zinc/02/60/38/862026038.db2.gz OCNNXZSFPBXLRM-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012629 862026055 /nfs/dbraw/zinc/02/60/55/862026055.db2.gz OCNNXZSFPBXLRM-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP N#Cc1ccc2cc[nH+]c(NCc3nnc4n3CCC[NH2+]C4)c2c1 ZINC001155431096 862080857 /nfs/dbraw/zinc/08/08/57/862080857.db2.gz YLIZUIPXDMJFDH-UHFFFAOYSA-N 2 2 319.372 1.803 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380183 862209386 /nfs/dbraw/zinc/20/93/86/862209386.db2.gz OUKBZJVAIKSEKJ-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380183 862209398 /nfs/dbraw/zinc/20/93/98/862209398.db2.gz OUKBZJVAIKSEKJ-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274792401 852609671 /nfs/dbraw/zinc/60/96/71/852609671.db2.gz JZVNAEJMUDYEKE-RRFJBIMHSA-N 2 2 304.438 1.974 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049558196 856974500 /nfs/dbraw/zinc/97/45/00/856974500.db2.gz NSQBMCMCIRAIJU-BZUAXINKSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049558196 856974508 /nfs/dbraw/zinc/97/45/08/856974508.db2.gz NSQBMCMCIRAIJU-BZUAXINKSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561787 856979403 /nfs/dbraw/zinc/97/94/03/856979403.db2.gz QLSODHOXZZOEDV-DJIMGWMZSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561787 856979409 /nfs/dbraw/zinc/97/94/09/856979409.db2.gz QLSODHOXZZOEDV-DJIMGWMZSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870274 857824783 /nfs/dbraw/zinc/82/47/83/857824783.db2.gz DDPKEQGWCLOIES-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870274 857824787 /nfs/dbraw/zinc/82/47/87/857824787.db2.gz DDPKEQGWCLOIES-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994899 857978496 /nfs/dbraw/zinc/97/84/96/857978496.db2.gz YKUMPMRXGCUNGT-ZIAGYGMSSA-N 2 2 300.406 1.244 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994899 857978498 /nfs/dbraw/zinc/97/84/98/857978498.db2.gz YKUMPMRXGCUNGT-ZIAGYGMSSA-N 2 2 300.406 1.244 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129459 858126367 /nfs/dbraw/zinc/12/63/67/858126367.db2.gz ZLVPWYZNOIQEQU-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129459 858126370 /nfs/dbraw/zinc/12/63/70/858126370.db2.gz ZLVPWYZNOIQEQU-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001154477737 861132706 /nfs/dbraw/zinc/13/27/06/861132706.db2.gz WUDJYVGQXBWUKV-WBVHZDCISA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001154477737 861132692 /nfs/dbraw/zinc/13/26/92/861132692.db2.gz WUDJYVGQXBWUKV-WBVHZDCISA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001154477737 861132698 /nfs/dbraw/zinc/13/26/98/861132698.db2.gz WUDJYVGQXBWUKV-WBVHZDCISA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001154477737 861132717 /nfs/dbraw/zinc/13/27/17/861132717.db2.gz WUDJYVGQXBWUKV-WBVHZDCISA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328786164 863226350 /nfs/dbraw/zinc/22/63/50/863226350.db2.gz MPDJXODSVNJDNX-OAHLLOKOSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328786164 863226354 /nfs/dbraw/zinc/22/63/54/863226354.db2.gz MPDJXODSVNJDNX-OAHLLOKOSA-N 2 2 320.437 1.386 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C/Cl ZINC001153868759 864178835 /nfs/dbraw/zinc/17/88/35/864178835.db2.gz ZRYTZGVQTBNYRH-MMCPSDEHSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001153868759 864178840 /nfs/dbraw/zinc/17/88/40/864178840.db2.gz ZRYTZGVQTBNYRH-MMCPSDEHSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001153868759 864178844 /nfs/dbraw/zinc/17/88/44/864178844.db2.gz ZRYTZGVQTBNYRH-MMCPSDEHSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001153868759 864178850 /nfs/dbraw/zinc/17/88/50/864178850.db2.gz ZRYTZGVQTBNYRH-MMCPSDEHSA-N 2 2 311.857 1.663 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092922 864403595 /nfs/dbraw/zinc/40/35/95/864403595.db2.gz QSVZOTXGCVHIHH-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092922 864403599 /nfs/dbraw/zinc/40/35/99/864403599.db2.gz QSVZOTXGCVHIHH-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP N#Cc1cc(Cl)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258079 864520611 /nfs/dbraw/zinc/52/06/11/864520611.db2.gz PVDUJPYJCOCVKX-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258079 864520615 /nfs/dbraw/zinc/52/06/15/864520615.db2.gz PVDUJPYJCOCVKX-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528234 865913761 /nfs/dbraw/zinc/91/37/61/865913761.db2.gz LUBCDVPEYJAHNV-MRXNPFEDSA-N 2 2 322.453 1.769 20 30 DDEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001319921457 866387058 /nfs/dbraw/zinc/38/70/58/866387058.db2.gz HJCXLWXCEUTBIB-GJZGRUSLSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253194 866470144 /nfs/dbraw/zinc/47/01/44/866470144.db2.gz NHLJWXMHCSQWTF-HZPDHXFCSA-N 2 2 314.433 1.848 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253194 866470152 /nfs/dbraw/zinc/47/01/52/866470152.db2.gz NHLJWXMHCSQWTF-HZPDHXFCSA-N 2 2 314.433 1.848 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309471 866520163 /nfs/dbraw/zinc/52/01/63/866520163.db2.gz OKGOVJPBSGOPDW-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309471 866520173 /nfs/dbraw/zinc/52/01/73/866520173.db2.gz OKGOVJPBSGOPDW-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323309471 866520184 /nfs/dbraw/zinc/52/01/84/866520184.db2.gz OKGOVJPBSGOPDW-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323309471 866520198 /nfs/dbraw/zinc/52/01/98/866520198.db2.gz OKGOVJPBSGOPDW-RHSMWYFYSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001325541631 868121482 /nfs/dbraw/zinc/12/14/82/868121482.db2.gz CSMJTWCQWNXMJW-GJZGRUSLSA-N 2 2 310.401 1.655 20 30 DDEDLP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277102859 882229725 /nfs/dbraw/zinc/22/97/25/882229725.db2.gz YTNPWKZAMQIZRK-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165835632 869727722 /nfs/dbraw/zinc/72/77/22/869727722.db2.gz JCSODFJUFAZIPT-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317154222 870374859 /nfs/dbraw/zinc/37/48/59/870374859.db2.gz UWIZJFBABGWFRL-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317154221 870375060 /nfs/dbraw/zinc/37/50/60/870375060.db2.gz UWIZJFBABGWFRL-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317323214 870641188 /nfs/dbraw/zinc/64/11/88/870641188.db2.gz UANZBAZEFPCJRN-OAHLLOKOSA-N 2 2 310.401 1.718 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501333 870930359 /nfs/dbraw/zinc/93/03/59/870930359.db2.gz BTOPIADMAOTNAN-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501333 870930370 /nfs/dbraw/zinc/93/03/70/870930370.db2.gz BTOPIADMAOTNAN-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526922 870996468 /nfs/dbraw/zinc/99/64/68/870996468.db2.gz MRUFPQIVVJUEJI-DLBZAZTESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526922 870996475 /nfs/dbraw/zinc/99/64/75/870996475.db2.gz MRUFPQIVVJUEJI-DLBZAZTESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555712 871627022 /nfs/dbraw/zinc/62/70/22/871627022.db2.gz DWZOUVOIIYRNGT-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741478 871771430 /nfs/dbraw/zinc/77/14/30/871771430.db2.gz HIICMNDXRYENIM-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316879722 872194596 /nfs/dbraw/zinc/19/45/96/872194596.db2.gz KSIQBBXHYMIRGN-GOEBONIOSA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001378043950 873978362 /nfs/dbraw/zinc/97/83/62/873978362.db2.gz PUKFMDAMEQVMFX-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001378043950 873978368 /nfs/dbraw/zinc/97/83/68/873978368.db2.gz PUKFMDAMEQVMFX-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001378043950 873978381 /nfs/dbraw/zinc/97/83/81/873978381.db2.gz PUKFMDAMEQVMFX-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001378043950 873978392 /nfs/dbraw/zinc/97/83/92/873978392.db2.gz PUKFMDAMEQVMFX-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019268 882779661 /nfs/dbraw/zinc/77/96/61/882779661.db2.gz KVVYGVAYXPCBLW-HZPDHXFCSA-N 2 2 316.449 1.967 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446981 874148868 /nfs/dbraw/zinc/14/88/68/874148868.db2.gz DYAWKSSBOXAEBP-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848630 874485218 /nfs/dbraw/zinc/48/52/18/874485218.db2.gz IMJDVKAUNLQVLP-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001378558104 875127722 /nfs/dbraw/zinc/12/77/22/875127722.db2.gz LOKHDPXGQAHTHQ-CYBMUJFWSA-N 2 2 313.873 1.907 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210207243 875270523 /nfs/dbraw/zinc/27/05/23/875270523.db2.gz VAUXEJYQPYABSH-SUMDDJOVSA-N 2 2 313.445 1.533 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210207243 875270529 /nfs/dbraw/zinc/27/05/29/875270529.db2.gz VAUXEJYQPYABSH-SUMDDJOVSA-N 2 2 313.445 1.533 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001276838940 880701214 /nfs/dbraw/zinc/70/12/14/880701214.db2.gz DFAOFBMEDKQYAA-YESZJQIVSA-N 2 2 314.433 1.513 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001276838940 880701223 /nfs/dbraw/zinc/70/12/23/880701223.db2.gz DFAOFBMEDKQYAA-YESZJQIVSA-N 2 2 314.433 1.513 20 30 DDEDLP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230575381 884608304 /nfs/dbraw/zinc/60/83/04/884608304.db2.gz NVAHAGRDXFHLNQ-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230575381 884608311 /nfs/dbraw/zinc/60/83/11/884608311.db2.gz NVAHAGRDXFHLNQ-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230575381 884608316 /nfs/dbraw/zinc/60/83/16/884608316.db2.gz NVAHAGRDXFHLNQ-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230575381 884608323 /nfs/dbraw/zinc/60/83/23/884608323.db2.gz NVAHAGRDXFHLNQ-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP N#Cc1cncc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000721582240 885263637 /nfs/dbraw/zinc/26/36/37/885263637.db2.gz UWQNFMJHXOEENI-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1cncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000721582240 885263654 /nfs/dbraw/zinc/26/36/54/885263654.db2.gz UWQNFMJHXOEENI-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1cncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000721582232 885266235 /nfs/dbraw/zinc/26/62/35/885266235.db2.gz UWQNFMJHXOEENI-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1cncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000721582232 885266247 /nfs/dbraw/zinc/26/62/47/885266247.db2.gz UWQNFMJHXOEENI-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP C[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961259 888873130 /nfs/dbraw/zinc/87/31/30/888873130.db2.gz VIKNMOFIXVPBLG-YJBOKZPZSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961259 888873144 /nfs/dbraw/zinc/87/31/44/888873144.db2.gz VIKNMOFIXVPBLG-YJBOKZPZSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961259 888873159 /nfs/dbraw/zinc/87/31/59/888873159.db2.gz VIKNMOFIXVPBLG-YJBOKZPZSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961259 888873174 /nfs/dbraw/zinc/87/31/74/888873174.db2.gz VIKNMOFIXVPBLG-YJBOKZPZSA-N 2 2 316.449 1.565 20 30 DDEDLP CCOC(=O)[C@]12C[N@H+](Cc3ccc(C#N)s3)C[C@H]1C[NH2+]CC2 ZINC001236041424 889077624 /nfs/dbraw/zinc/07/76/24/889077624.db2.gz SNEHLNKRZOMKDJ-MLGOLLRUSA-N 2 2 319.430 1.594 20 30 DDEDLP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C#N)s3)C[C@H]1C[NH2+]CC2 ZINC001236041424 889077640 /nfs/dbraw/zinc/07/76/40/889077640.db2.gz SNEHLNKRZOMKDJ-MLGOLLRUSA-N 2 2 319.430 1.594 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001366047537 892321117 /nfs/dbraw/zinc/32/11/17/892321117.db2.gz YCELQZJTBIGDBU-ZDUSSCGKSA-N 2 2 310.829 1.590 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278530425 894109186 /nfs/dbraw/zinc/10/91/86/894109186.db2.gz YULPLCMJRUOJOG-IBGZPJMESA-N 2 2 322.412 1.947 20 30 DDEDLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)ccc1F ZINC001390547619 899651405 /nfs/dbraw/zinc/65/14/05/899651405.db2.gz VJYGSAJYKGXWSQ-LBPRGKRZSA-N 2 2 315.352 1.188 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001264408829 901094824 /nfs/dbraw/zinc/09/48/24/901094824.db2.gz WGTZXFMZPMBOQS-GASCZTMLSA-N 2 2 304.438 1.803 20 30 DDEDLP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001265263852 901786787 /nfs/dbraw/zinc/78/67/87/901786787.db2.gz BJODHKNWTBUTBV-MRXNPFEDSA-N 2 2 319.453 1.144 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105260 902949380 /nfs/dbraw/zinc/94/93/80/902949380.db2.gz KKJAXYNHVAHMKR-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105260 902949388 /nfs/dbraw/zinc/94/93/88/902949388.db2.gz KKJAXYNHVAHMKR-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001281031020 904334206 /nfs/dbraw/zinc/33/42/06/904334206.db2.gz JJJMXAFYCVVQIF-OAHLLOKOSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ocnc1C ZINC001282403883 905750886 /nfs/dbraw/zinc/75/08/86/905750886.db2.gz YEWZLDCAUYYMDQ-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ocnc1C ZINC001282403883 905750900 /nfs/dbraw/zinc/75/09/00/905750900.db2.gz YEWZLDCAUYYMDQ-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ocnc1C ZINC001282403883 905750910 /nfs/dbraw/zinc/75/09/10/905750910.db2.gz YEWZLDCAUYYMDQ-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ocnc1C ZINC001282403883 905750917 /nfs/dbraw/zinc/75/09/17/905750917.db2.gz YEWZLDCAUYYMDQ-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283205159 906884525 /nfs/dbraw/zinc/88/45/25/906884525.db2.gz XHTMGUUJRHKSEK-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001376889461 919685569 /nfs/dbraw/zinc/68/55/69/919685569.db2.gz UJCPSCPMVWRZSX-NSHDSACASA-N 2 2 303.391 1.111 20 30 DDEDLP CC[C@]1(C)C[NH+](CC#CC[N@@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000342134856 529406496 /nfs/dbraw/zinc/40/64/96/529406496.db2.gz SJWLBIXINUJJSF-QZTJIDSGSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@]1(C)C[NH+](CC#CC[N@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000342134856 529406499 /nfs/dbraw/zinc/40/64/99/529406499.db2.gz SJWLBIXINUJJSF-QZTJIDSGSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000341835719 529416090 /nfs/dbraw/zinc/41/60/90/529416090.db2.gz PDVRDOSSEYDRMC-TVFCKZIOSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000341835719 529416091 /nfs/dbraw/zinc/41/60/91/529416091.db2.gz PDVRDOSSEYDRMC-TVFCKZIOSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC#CC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000341835719 529416093 /nfs/dbraw/zinc/41/60/93/529416093.db2.gz PDVRDOSSEYDRMC-TVFCKZIOSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#CC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000341835719 529416094 /nfs/dbraw/zinc/41/60/94/529416094.db2.gz PDVRDOSSEYDRMC-TVFCKZIOSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329295886 539302810 /nfs/dbraw/zinc/30/28/10/539302810.db2.gz OPJJULZPIRCGEJ-CABCVRRESA-N 2 2 305.426 1.746 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329295886 539302811 /nfs/dbraw/zinc/30/28/11/539302811.db2.gz OPJJULZPIRCGEJ-CABCVRRESA-N 2 2 305.426 1.746 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(F)c1 ZINC000046063185 352436114 /nfs/dbraw/zinc/43/61/14/352436114.db2.gz KQIUDAZROXKKQN-UHFFFAOYSA-N 2 2 316.424 1.911 20 30 DDEDLP C[C@H](CC#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000068615627 353122715 /nfs/dbraw/zinc/12/27/15/353122715.db2.gz AHUMPVBYUYZQCY-CQSZACIVSA-N 2 2 301.394 1.012 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000595896286 356695037 /nfs/dbraw/zinc/69/50/37/356695037.db2.gz CLJHDJNAJIRBII-UHFFFAOYSA-N 2 2 313.323 1.781 20 30 DDEDLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1C#N ZINC000597248622 357109531 /nfs/dbraw/zinc/10/95/31/357109531.db2.gz BKQQFTVLYBROOM-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597992044 357408203 /nfs/dbraw/zinc/40/82/03/357408203.db2.gz IXKAFVJLRDRLBY-UHFFFAOYSA-N 2 2 324.375 1.450 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597992044 357408206 /nfs/dbraw/zinc/40/82/06/357408206.db2.gz IXKAFVJLRDRLBY-UHFFFAOYSA-N 2 2 324.375 1.450 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328873 357895721 /nfs/dbraw/zinc/89/57/21/357895721.db2.gz APCOXDANWJBWCZ-LSDHHAIUSA-N 2 2 318.421 1.660 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328873 357895723 /nfs/dbraw/zinc/89/57/23/357895723.db2.gz APCOXDANWJBWCZ-LSDHHAIUSA-N 2 2 318.421 1.660 20 30 DDEDLP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599656476 358010601 /nfs/dbraw/zinc/01/06/01/358010601.db2.gz VTGRBYTZVRFDHA-YHUYYLMFSA-N 2 2 309.454 1.519 20 30 DDEDLP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599656476 358010605 /nfs/dbraw/zinc/01/06/05/358010605.db2.gz VTGRBYTZVRFDHA-YHUYYLMFSA-N 2 2 309.454 1.519 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000602675952 359119244 /nfs/dbraw/zinc/11/92/44/359119244.db2.gz XODLWEGESUJACS-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000602675952 359119249 /nfs/dbraw/zinc/11/92/49/359119249.db2.gz XODLWEGESUJACS-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000602893399 359276674 /nfs/dbraw/zinc/27/66/74/359276674.db2.gz VQDACSUKZBCXHN-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000602893399 359276677 /nfs/dbraw/zinc/27/66/77/359276677.db2.gz VQDACSUKZBCXHN-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157285 360268256 /nfs/dbraw/zinc/26/82/56/360268256.db2.gz BDYJCWDPECPFGP-HOCLYGCPSA-N 2 2 303.410 1.574 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157285 360268259 /nfs/dbraw/zinc/26/82/59/360268259.db2.gz BDYJCWDPECPFGP-HOCLYGCPSA-N 2 2 303.410 1.574 20 30 DDEDLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000330143650 223079968 /nfs/dbraw/zinc/07/99/68/223079968.db2.gz ZAXJFYVCVAFUKW-UONOGXRCSA-N 2 2 305.426 1.558 20 30 DDEDLP C[NH+](C)[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330540605 223124852 /nfs/dbraw/zinc/12/48/52/223124852.db2.gz ZGWFFFFMHLIVLU-SNVBAGLBSA-N 2 2 319.331 1.495 20 30 DDEDLP C[C@H]1CN(C(=O)NCCCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345808339 223350549 /nfs/dbraw/zinc/35/05/49/223350549.db2.gz BHWDGFMDXBEEMG-AWEZNQCLSA-N 2 2 307.442 1.100 20 30 DDEDLP C[C@H]1CN(C(=O)NCCCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345808339 223350552 /nfs/dbraw/zinc/35/05/52/223350552.db2.gz BHWDGFMDXBEEMG-AWEZNQCLSA-N 2 2 307.442 1.100 20 30 DDEDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242840 304132089 /nfs/dbraw/zinc/13/20/89/304132089.db2.gz MXDCANSXQKGPFX-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242840 304132092 /nfs/dbraw/zinc/13/20/92/304132092.db2.gz MXDCANSXQKGPFX-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242840 304132094 /nfs/dbraw/zinc/13/20/94/304132094.db2.gz MXDCANSXQKGPFX-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566242840 304132096 /nfs/dbraw/zinc/13/20/96/304132096.db2.gz MXDCANSXQKGPFX-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000093133318 193206081 /nfs/dbraw/zinc/20/60/81/193206081.db2.gz RECIZOQZSXJJQN-OAHLLOKOSA-N 2 2 304.463 1.832 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000093133318 193206082 /nfs/dbraw/zinc/20/60/82/193206082.db2.gz RECIZOQZSXJJQN-OAHLLOKOSA-N 2 2 304.463 1.832 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093147261 193207914 /nfs/dbraw/zinc/20/79/14/193207914.db2.gz HBYBVWNKHWMUHI-HNNXBMFYSA-N 2 2 302.422 1.753 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093147261 193207916 /nfs/dbraw/zinc/20/79/16/193207916.db2.gz HBYBVWNKHWMUHI-HNNXBMFYSA-N 2 2 302.422 1.753 20 30 DDEDLP C=CCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158699738 197295185 /nfs/dbraw/zinc/29/51/85/197295185.db2.gz VRNFXNIARWTCRE-UHFFFAOYSA-N 2 2 317.437 1.401 20 30 DDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000362037895 292338939 /nfs/dbraw/zinc/33/89/39/292338939.db2.gz JTVUFOZXQASPAW-HZMVEIRTSA-N 2 2 309.454 1.784 20 30 DDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000362037895 292338940 /nfs/dbraw/zinc/33/89/40/292338940.db2.gz JTVUFOZXQASPAW-HZMVEIRTSA-N 2 2 309.454 1.784 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123439950 407328791 /nfs/dbraw/zinc/32/87/91/407328791.db2.gz MEVINFMZVIPZQI-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1C ZINC000123439950 407328792 /nfs/dbraw/zinc/32/87/92/407328792.db2.gz MEVINFMZVIPZQI-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439950 407328793 /nfs/dbraw/zinc/32/87/93/407328793.db2.gz MEVINFMZVIPZQI-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439950 407328794 /nfs/dbraw/zinc/32/87/94/407328794.db2.gz MEVINFMZVIPZQI-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000109787112 407397827 /nfs/dbraw/zinc/39/78/27/407397827.db2.gz GVIYTYBXKDPATH-KRWDZBQOSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000109787112 407397830 /nfs/dbraw/zinc/39/78/30/407397830.db2.gz GVIYTYBXKDPATH-KRWDZBQOSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841763 407955184 /nfs/dbraw/zinc/95/51/84/407955184.db2.gz OLMSLGVEBCOOAB-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841763 407955192 /nfs/dbraw/zinc/95/51/92/407955192.db2.gz OLMSLGVEBCOOAB-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841763 407955197 /nfs/dbraw/zinc/95/51/97/407955197.db2.gz OLMSLGVEBCOOAB-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841763 407955202 /nfs/dbraw/zinc/95/52/02/407955202.db2.gz OLMSLGVEBCOOAB-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153971975 407943360 /nfs/dbraw/zinc/94/33/60/407943360.db2.gz IGEJJCNEYOFKBV-BBWFWOEESA-N 2 2 322.497 1.168 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153971975 407943361 /nfs/dbraw/zinc/94/33/61/407943361.db2.gz IGEJJCNEYOFKBV-BBWFWOEESA-N 2 2 322.497 1.168 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264132023 408375793 /nfs/dbraw/zinc/37/57/93/408375793.db2.gz UGNXMCZUGNTFMP-CYBMUJFWSA-N 3 2 314.437 1.494 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264132023 408375797 /nfs/dbraw/zinc/37/57/97/408375797.db2.gz UGNXMCZUGNTFMP-CYBMUJFWSA-N 3 2 314.437 1.494 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCCC1 ZINC000338125140 409735830 /nfs/dbraw/zinc/73/58/30/409735830.db2.gz QHFYCJLBWFCYMJ-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCCC1 ZINC000338125140 409735836 /nfs/dbraw/zinc/73/58/36/409735836.db2.gz QHFYCJLBWFCYMJ-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298138433 410124186 /nfs/dbraw/zinc/12/41/86/410124186.db2.gz CSYCGVMVDWVSKJ-ZDUSSCGKSA-N 2 2 305.426 1.722 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000298138433 410124191 /nfs/dbraw/zinc/12/41/91/410124191.db2.gz CSYCGVMVDWVSKJ-ZDUSSCGKSA-N 2 2 305.426 1.722 20 30 DDEDLP CN(C(=O)CC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000357657915 410168676 /nfs/dbraw/zinc/16/86/76/410168676.db2.gz OAWMHTIMTMTLJH-JKSUJKDBSA-N 2 2 306.454 1.696 20 30 DDEDLP CN(C(=O)CC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357657915 410168683 /nfs/dbraw/zinc/16/86/83/410168683.db2.gz OAWMHTIMTMTLJH-JKSUJKDBSA-N 2 2 306.454 1.696 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355733437 410665468 /nfs/dbraw/zinc/66/54/68/410665468.db2.gz KVNQFWQDUVPKTR-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355733437 410665474 /nfs/dbraw/zinc/66/54/74/410665474.db2.gz KVNQFWQDUVPKTR-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000355733437 410665480 /nfs/dbraw/zinc/66/54/80/410665480.db2.gz KVNQFWQDUVPKTR-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355733437 410665484 /nfs/dbraw/zinc/66/54/84/410665484.db2.gz KVNQFWQDUVPKTR-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107567 196020293 /nfs/dbraw/zinc/02/02/93/196020293.db2.gz VPDPTICYQGXZBS-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107567 196020295 /nfs/dbraw/zinc/02/02/95/196020295.db2.gz VPDPTICYQGXZBS-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107567 196020298 /nfs/dbraw/zinc/02/02/98/196020298.db2.gz VPDPTICYQGXZBS-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107567 196020300 /nfs/dbraw/zinc/02/03/00/196020300.db2.gz VPDPTICYQGXZBS-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C#CCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366128919 418431408 /nfs/dbraw/zinc/43/14/08/418431408.db2.gz JWQVJLCTHWZXIP-HNNXBMFYSA-N 2 2 306.454 1.258 20 30 DDEDLP C#CCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366128919 418431410 /nfs/dbraw/zinc/43/14/10/418431410.db2.gz JWQVJLCTHWZXIP-HNNXBMFYSA-N 2 2 306.454 1.258 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@]1(C)CCCS1 ZINC000262005865 222268919 /nfs/dbraw/zinc/26/89/19/222268919.db2.gz VOOZXMJCOKOGQL-AWEZNQCLSA-N 2 2 316.540 1.486 20 30 DDEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CCCC1 ZINC000264073846 222314495 /nfs/dbraw/zinc/31/44/95/222314495.db2.gz FCLMLAFDDSOWRJ-UHFFFAOYSA-N 2 2 316.449 1.866 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100334 222318563 /nfs/dbraw/zinc/31/85/63/222318563.db2.gz MQZOADGWEDCQDR-IUODEOHRSA-N 2 2 308.426 1.237 20 30 DDEDLP CN(Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377625008 418711440 /nfs/dbraw/zinc/71/14/40/418711440.db2.gz KKILJYRXVUKBQR-HNNXBMFYSA-N 2 2 302.422 1.752 20 30 DDEDLP CN(Cc1ccc(C#N)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377625008 418711443 /nfs/dbraw/zinc/71/14/43/418711443.db2.gz KKILJYRXVUKBQR-HNNXBMFYSA-N 2 2 302.422 1.752 20 30 DDEDLP CN(Cc1cc(C#N)n(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368052026 418680389 /nfs/dbraw/zinc/68/03/89/418680389.db2.gz SDOCGEBJGZYBSP-QGZVFWFLSA-N 2 2 315.465 1.497 20 30 DDEDLP CN(Cc1cc(C#N)n(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368052026 418680392 /nfs/dbraw/zinc/68/03/92/418680392.db2.gz SDOCGEBJGZYBSP-QGZVFWFLSA-N 2 2 315.465 1.497 20 30 DDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000389252493 418749098 /nfs/dbraw/zinc/74/90/98/418749098.db2.gz MYHPRLUWLJSKRZ-JKSUJKDBSA-N 2 2 303.406 1.372 20 30 DDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000389252493 418749099 /nfs/dbraw/zinc/74/90/99/418749099.db2.gz MYHPRLUWLJSKRZ-JKSUJKDBSA-N 2 2 303.406 1.372 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115336 418928365 /nfs/dbraw/zinc/92/83/65/418928365.db2.gz JPZQQRYQSHBOQK-HNNXBMFYSA-N 2 2 302.422 1.800 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115336 418928367 /nfs/dbraw/zinc/92/83/67/418928367.db2.gz JPZQQRYQSHBOQK-HNNXBMFYSA-N 2 2 302.422 1.800 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000424127377 228231420 /nfs/dbraw/zinc/23/14/20/228231420.db2.gz CTLAVKFNKTYAHT-MRXNPFEDSA-N 2 2 311.389 1.569 20 30 DDEDLP C=CCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000448032588 420833903 /nfs/dbraw/zinc/83/39/03/420833903.db2.gz WECDOIJNKCWPAV-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP C=CCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000448032588 420833904 /nfs/dbraw/zinc/83/39/04/420833904.db2.gz WECDOIJNKCWPAV-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562991570 421436289 /nfs/dbraw/zinc/43/62/89/421436289.db2.gz PYJXXGUPBLBBKE-MZMPZRCHSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562991570 421436292 /nfs/dbraw/zinc/43/62/92/421436292.db2.gz PYJXXGUPBLBBKE-MZMPZRCHSA-N 2 2 315.417 1.370 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000514636309 421441815 /nfs/dbraw/zinc/44/18/15/421441815.db2.gz XBNSJQOHYQSMRT-LBPRGKRZSA-N 2 2 306.435 1.605 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000530230934 421587715 /nfs/dbraw/zinc/58/77/15/421587715.db2.gz DUHCPGBGFYZWSS-XOKHGSTOSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000530230934 421587720 /nfs/dbraw/zinc/58/77/20/421587720.db2.gz DUHCPGBGFYZWSS-XOKHGSTOSA-N 2 2 315.417 1.370 20 30 DDEDLP CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000566117772 421602656 /nfs/dbraw/zinc/60/26/56/421602656.db2.gz XHMWPJUHZOBQMN-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[N@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000566117772 421602658 /nfs/dbraw/zinc/60/26/58/421602658.db2.gz XHMWPJUHZOBQMN-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@H]1CNC[C@@H](O)C[N@H+](C)CCC#N ZINC000566117772 421602659 /nfs/dbraw/zinc/60/26/59/421602659.db2.gz XHMWPJUHZOBQMN-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@H]1CNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000566117772 421602662 /nfs/dbraw/zinc/60/26/62/421602662.db2.gz XHMWPJUHZOBQMN-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP Cc1[nH+]c2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2n1C ZINC000521995565 421809831 /nfs/dbraw/zinc/80/98/31/421809831.db2.gz IYIGUSFGFRHYMN-AWEZNQCLSA-N 2 2 301.394 1.500 20 30 DDEDLP Cc1[nH+]c2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2n1C ZINC000521995565 421809833 /nfs/dbraw/zinc/80/98/33/421809833.db2.gz IYIGUSFGFRHYMN-AWEZNQCLSA-N 2 2 301.394 1.500 20 30 DDEDLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000522000944 421811616 /nfs/dbraw/zinc/81/16/16/421811616.db2.gz ZHKTUXNNRZABGK-QZTJIDSGSA-N 2 2 315.417 1.526 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000581892705 422064207 /nfs/dbraw/zinc/06/42/07/422064207.db2.gz UGDBLVNCQNOGGK-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000581892705 422064210 /nfs/dbraw/zinc/06/42/10/422064210.db2.gz UGDBLVNCQNOGGK-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C[NH3+])C1 ZINC000574904642 422211044 /nfs/dbraw/zinc/21/10/44/422211044.db2.gz RIFFCKWYQJVIBD-HNNXBMFYSA-N 2 2 315.421 1.594 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C[NH3+])C1 ZINC000574904642 422211050 /nfs/dbraw/zinc/21/10/50/422211050.db2.gz RIFFCKWYQJVIBD-HNNXBMFYSA-N 2 2 315.421 1.594 20 30 DDEDLP Cc1cc(NC[C@H](C)[NH+](C)C)c(C#N)c(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000596089855 422364754 /nfs/dbraw/zinc/36/47/54/422364754.db2.gz KVMZCSNABQKRTP-UONOGXRCSA-N 3 2 318.469 1.986 20 30 DDEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398572 266102844 /nfs/dbraw/zinc/10/28/44/266102844.db2.gz UMKZDFXNAWKVLY-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398572 266102847 /nfs/dbraw/zinc/10/28/47/266102847.db2.gz UMKZDFXNAWKVLY-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398572 266102850 /nfs/dbraw/zinc/10/28/50/266102850.db2.gz UMKZDFXNAWKVLY-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398572 266102852 /nfs/dbraw/zinc/10/28/52/266102852.db2.gz UMKZDFXNAWKVLY-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000573956947 304624730 /nfs/dbraw/zinc/62/47/30/304624730.db2.gz MLXWXHFMMKMSHM-HUUCEWRRSA-N 2 2 312.373 1.099 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000535045415 303342074 /nfs/dbraw/zinc/34/20/74/303342074.db2.gz LTTBTFLSFLRGPT-MRXNPFEDSA-N 2 2 323.400 1.397 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000535045415 303342075 /nfs/dbraw/zinc/34/20/75/303342075.db2.gz LTTBTFLSFLRGPT-MRXNPFEDSA-N 2 2 323.400 1.397 20 30 DDEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000583869217 337362450 /nfs/dbraw/zinc/36/24/50/337362450.db2.gz BRGYSMIDTQLCEA-HUUCEWRRSA-N 2 2 311.389 1.647 20 30 DDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568173844 341656427 /nfs/dbraw/zinc/65/64/27/341656427.db2.gz GURFQJPQWZNUNR-GOEBONIOSA-N 2 2 322.840 1.903 20 30 DDEDLP C[C@@H]1OCC[C@@]1(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000329761340 534185525 /nfs/dbraw/zinc/18/55/25/534185525.db2.gz RGNFMJNWCHKFHH-XJKSGUPXSA-N 2 2 312.458 1.084 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000330201389 534280076 /nfs/dbraw/zinc/28/00/76/534280076.db2.gz XRXMGMALMRDTTN-JSGCOSHPSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000330201389 534280079 /nfs/dbraw/zinc/28/00/79/534280079.db2.gz XRXMGMALMRDTTN-JSGCOSHPSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H](NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000330201389 534280083 /nfs/dbraw/zinc/28/00/83/534280083.db2.gz XRXMGMALMRDTTN-JSGCOSHPSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H](NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000330201389 534280085 /nfs/dbraw/zinc/28/00/85/534280085.db2.gz XRXMGMALMRDTTN-JSGCOSHPSA-N 2 2 303.410 1.352 20 30 DDEDLP C=CCN1CC[C@@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1=O ZINC000339661412 526467605 /nfs/dbraw/zinc/46/76/05/526467605.db2.gz VDIJDWBDVJQTAK-FCLJQHQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1=O ZINC000339661412 526467610 /nfs/dbraw/zinc/46/76/10/526467610.db2.gz VDIJDWBDVJQTAK-FCLJQHQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1=O ZINC000339661412 526467615 /nfs/dbraw/zinc/46/76/15/526467615.db2.gz VDIJDWBDVJQTAK-FCLJQHQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1=O ZINC000339661412 526467620 /nfs/dbraw/zinc/46/76/20/526467620.db2.gz VDIJDWBDVJQTAK-FCLJQHQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000490841641 526950236 /nfs/dbraw/zinc/95/02/36/526950236.db2.gz WKJDWVSGWSAVBO-UHFFFAOYSA-N 2 2 315.392 1.182 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000491760045 526981994 /nfs/dbraw/zinc/98/19/94/526981994.db2.gz PCKQAQHJSPXOJL-OAHLLOKOSA-N 2 2 301.434 1.845 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980225004 696712245 /nfs/dbraw/zinc/71/22/45/696712245.db2.gz BYQYOAVWMNGAJY-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980225004 696712247 /nfs/dbraw/zinc/71/22/47/696712247.db2.gz BYQYOAVWMNGAJY-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980231879 696714154 /nfs/dbraw/zinc/71/41/54/696714154.db2.gz UBELQVOSIBENGH-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980231879 696714156 /nfs/dbraw/zinc/71/41/56/696714156.db2.gz UBELQVOSIBENGH-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816961 695101540 /nfs/dbraw/zinc/10/15/40/695101540.db2.gz CHMAKXKTRIJIGS-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816961 695101543 /nfs/dbraw/zinc/10/15/43/695101543.db2.gz CHMAKXKTRIJIGS-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604715 695694539 /nfs/dbraw/zinc/69/45/39/695694539.db2.gz JVHLTWIKSGLNTI-MCIONIFRSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604715 695694540 /nfs/dbraw/zinc/69/45/40/695694540.db2.gz JVHLTWIKSGLNTI-MCIONIFRSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604715 695694542 /nfs/dbraw/zinc/69/45/42/695694542.db2.gz JVHLTWIKSGLNTI-MCIONIFRSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604715 695694544 /nfs/dbraw/zinc/69/45/44/695694544.db2.gz JVHLTWIKSGLNTI-MCIONIFRSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744870 695724723 /nfs/dbraw/zinc/72/47/23/695724723.db2.gz WLVHPZKKJASBNA-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744870 695724724 /nfs/dbraw/zinc/72/47/24/695724724.db2.gz WLVHPZKKJASBNA-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825871 696933724 /nfs/dbraw/zinc/93/37/24/696933724.db2.gz ROVDTHIALGARJV-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825871 696933726 /nfs/dbraw/zinc/93/37/26/696933726.db2.gz ROVDTHIALGARJV-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981165819 697023884 /nfs/dbraw/zinc/02/38/84/697023884.db2.gz GSSRGZDLWPBCHK-CABCVRRESA-N 2 2 303.406 1.836 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474233 697105669 /nfs/dbraw/zinc/10/56/69/697105669.db2.gz RNRQDJYYWNGYMO-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474233 697105671 /nfs/dbraw/zinc/10/56/71/697105671.db2.gz RNRQDJYYWNGYMO-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418120 697125497 /nfs/dbraw/zinc/12/54/97/697125497.db2.gz MIGAVOUPYWAVCQ-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418120 697125498 /nfs/dbraw/zinc/12/54/98/697125498.db2.gz MIGAVOUPYWAVCQ-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507655 697521638 /nfs/dbraw/zinc/52/16/38/697521638.db2.gz LLGUJBACOYMOIA-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507655 697521640 /nfs/dbraw/zinc/52/16/40/697521640.db2.gz LLGUJBACOYMOIA-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986608573 697850928 /nfs/dbraw/zinc/85/09/28/697850928.db2.gz HZNDEIALSVHKQP-RHSMWYFYSA-N 2 2 308.385 1.698 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491008 698642075 /nfs/dbraw/zinc/64/20/75/698642075.db2.gz CHSSBFJAYXQVHE-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866227428 706654434 /nfs/dbraw/zinc/65/44/34/706654434.db2.gz UFFKWOPXGYNERF-CQSZACIVSA-N 2 2 316.449 1.940 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870152348 703934590 /nfs/dbraw/zinc/93/45/90/703934590.db2.gz MEHJTKPBBLNZJL-MRXNPFEDSA-N 2 2 303.406 1.286 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942533175 717725576 /nfs/dbraw/zinc/72/55/76/717725576.db2.gz WSUUMZZHAVUGNE-MAUKXSAKSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942533175 717725580 /nfs/dbraw/zinc/72/55/80/717725580.db2.gz WSUUMZZHAVUGNE-MAUKXSAKSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365326 717761349 /nfs/dbraw/zinc/76/13/49/717761349.db2.gz GKKUKFLJONVQMG-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365326 717761355 /nfs/dbraw/zinc/76/13/55/717761355.db2.gz GKKUKFLJONVQMG-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903074 718702854 /nfs/dbraw/zinc/70/28/54/718702854.db2.gz ASKIZRUMGHNDBP-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966903074 718702857 /nfs/dbraw/zinc/70/28/57/718702857.db2.gz ASKIZRUMGHNDBP-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946878254 718934347 /nfs/dbraw/zinc/93/43/47/718934347.db2.gz KKISSTCFFRPOEA-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946878254 718934350 /nfs/dbraw/zinc/93/43/50/718934350.db2.gz KKISSTCFFRPOEA-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968057921 719406319 /nfs/dbraw/zinc/40/63/19/719406319.db2.gz MPPGVPRTCRRPSQ-DZGCQCFKSA-N 2 2 305.422 1.967 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968057921 719406321 /nfs/dbraw/zinc/40/63/21/719406321.db2.gz MPPGVPRTCRRPSQ-DZGCQCFKSA-N 2 2 305.422 1.967 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000950534512 720672581 /nfs/dbraw/zinc/67/25/81/720672581.db2.gz XPADBGVXMYSVNA-WBVHZDCISA-N 2 2 305.466 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000950534512 720672584 /nfs/dbraw/zinc/67/25/84/720672584.db2.gz XPADBGVXMYSVNA-WBVHZDCISA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600993 735335399 /nfs/dbraw/zinc/33/53/99/735335399.db2.gz MKUVOFLDKYJPTE-BZUAXINKSA-N 2 2 314.433 1.375 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600993 735335403 /nfs/dbraw/zinc/33/54/03/735335403.db2.gz MKUVOFLDKYJPTE-BZUAXINKSA-N 2 2 314.433 1.375 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898048 732825142 /nfs/dbraw/zinc/82/51/42/732825142.db2.gz ABQOONBEERZGDQ-UHFFFAOYSA-N 2 2 310.829 1.841 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203203351 733585889 /nfs/dbraw/zinc/58/58/89/733585889.db2.gz QHNOIDDHDIRYAB-KBPBESRZSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363975 734358486 /nfs/dbraw/zinc/35/84/86/734358486.db2.gz RCAUFGOFJJDAGH-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203204253 734489909 /nfs/dbraw/zinc/48/99/09/734489909.db2.gz SZZJTNCRRLKPGR-HUUCEWRRSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966713 738879203 /nfs/dbraw/zinc/87/92/03/738879203.db2.gz SPMGISCXQJTTTE-MGPQQGTHSA-N 2 2 315.845 1.039 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966713 738879206 /nfs/dbraw/zinc/87/92/06/738879206.db2.gz SPMGISCXQJTTTE-MGPQQGTHSA-N 2 2 315.845 1.039 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 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743895325 /nfs/dbraw/zinc/89/53/25/743895325.db2.gz WBERAPBKMGOCBM-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184906245 744124515 /nfs/dbraw/zinc/12/45/15/744124515.db2.gz YVCYKSHJYZVVKV-HOTGVXAUSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001186762158 744443417 /nfs/dbraw/zinc/44/34/17/744443417.db2.gz LAKTVMNGORDDAT-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000992665420 745093298 /nfs/dbraw/zinc/09/32/98/745093298.db2.gz GFYSRCRBZMBQJH-RBSFLKMASA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992841738 745242406 /nfs/dbraw/zinc/24/24/06/745242406.db2.gz ANCVDRQENPSTKB-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333230 745609768 /nfs/dbraw/zinc/60/97/68/745609768.db2.gz FKGDAOORGUPTFZ-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339326 746011935 /nfs/dbraw/zinc/01/19/35/746011935.db2.gz RURJBBDERDEZQH-HOCLYGCPSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339326 746011937 /nfs/dbraw/zinc/01/19/37/746011937.db2.gz RURJBBDERDEZQH-HOCLYGCPSA-N 2 2 314.433 1.364 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267761 746554936 /nfs/dbraw/zinc/55/49/36/746554936.db2.gz LIFQZRYHRKQLDG-ZFWWWQNUSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267761 746554940 /nfs/dbraw/zinc/55/49/40/746554940.db2.gz LIFQZRYHRKQLDG-ZFWWWQNUSA-N 2 2 302.422 1.916 20 30 DDEDLP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221695 747411118 /nfs/dbraw/zinc/41/11/18/747411118.db2.gz NFOUTUMCASDXBM-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP 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20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996077082 749371219 /nfs/dbraw/zinc/37/12/19/749371219.db2.gz XNTGEDOKFBQBNS-AWEZNQCLSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646366 750108760 /nfs/dbraw/zinc/10/87/60/750108760.db2.gz YQMMOBOEFADFAD-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646366 750108765 /nfs/dbraw/zinc/10/87/65/750108765.db2.gz YQMMOBOEFADFAD-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948492 750168757 /nfs/dbraw/zinc/16/87/57/750168757.db2.gz ACOVDMLZWQQSBY-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948492 750168763 /nfs/dbraw/zinc/16/87/63/750168763.db2.gz ACOVDMLZWQQSBY-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP 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RZSSEWUWHTWCFB-LNLFQRSKSA-N 2 2 313.445 1.935 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725734 753364974 /nfs/dbraw/zinc/36/49/74/753364974.db2.gz RZSSEWUWHTWCFB-LNLFQRSKSA-N 2 2 313.445 1.935 20 30 DDEDLP N#Cc1ccc(C(F)(F)F)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067339 762217771 /nfs/dbraw/zinc/21/77/71/762217771.db2.gz QGXSMUYGUYQOIR-SECBINFHSA-N 2 2 311.267 1.020 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000868788 762283702 /nfs/dbraw/zinc/28/37/02/762283702.db2.gz KHEIOVBXHDEPFT-OAHLLOKOSA-N 2 2 314.433 1.757 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000868788 762283707 /nfs/dbraw/zinc/28/37/07/762283707.db2.gz KHEIOVBXHDEPFT-OAHLLOKOSA-N 2 2 314.433 1.757 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001000868788 762283710 /nfs/dbraw/zinc/28/37/10/762283710.db2.gz KHEIOVBXHDEPFT-OAHLLOKOSA-N 2 2 314.433 1.757 20 30 DDEDLP 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755534628 /nfs/dbraw/zinc/53/46/28/755534628.db2.gz NJZYYTUAUBPBIG-CZUORRHYSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079698180 755534631 /nfs/dbraw/zinc/53/46/31/755534631.db2.gz NJZYYTUAUBPBIG-CZUORRHYSA-N 2 2 310.401 1.716 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081187484 756240802 /nfs/dbraw/zinc/24/08/02/756240802.db2.gz IPBTVSOXZXGWAV-DLBZAZTESA-N 2 2 310.401 1.722 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373652 757118588 /nfs/dbraw/zinc/11/85/88/757118588.db2.gz RWLBXWDIXZNUDK-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373652 757118592 /nfs/dbraw/zinc/11/85/92/757118592.db2.gz RWLBXWDIXZNUDK-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016623581 757213923 /nfs/dbraw/zinc/21/39/23/757213923.db2.gz FGYQMHDQWIWZGM-MRXNPFEDSA-N 2 2 322.412 1.860 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](O)C1 ZINC001084109974 757290766 /nfs/dbraw/zinc/29/07/66/757290766.db2.gz AVODOQCMPZALII-CABCVRRESA-N 2 2 321.421 1.082 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](O)C1 ZINC001084109974 757290772 /nfs/dbraw/zinc/29/07/72/757290772.db2.gz AVODOQCMPZALII-CABCVRRESA-N 2 2 321.421 1.082 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016950365 757502111 /nfs/dbraw/zinc/50/21/11/757502111.db2.gz LCCYFANFSIBDND-OAHLLOKOSA-N 2 2 302.422 1.807 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001017680890 758148535 /nfs/dbraw/zinc/14/85/35/758148535.db2.gz JWPXDPAJGJRHSO-OIISXLGYSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001017680890 758148543 /nfs/dbraw/zinc/14/85/43/758148543.db2.gz JWPXDPAJGJRHSO-OIISXLGYSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001018179899 758606447 /nfs/dbraw/zinc/60/64/47/758606447.db2.gz PIINDHMXSBMCDC-OKILXGFUSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001018179899 758606450 /nfs/dbraw/zinc/60/64/50/758606450.db2.gz PIINDHMXSBMCDC-OKILXGFUSA-N 2 2 300.406 1.386 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001019212847 759685930 /nfs/dbraw/zinc/68/59/30/759685930.db2.gz PJZLKNVTCOCQQP-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085624996 759873659 /nfs/dbraw/zinc/87/36/59/759873659.db2.gz DGKWIQTYMXQZDI-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085624996 759873663 /nfs/dbraw/zinc/87/36/63/759873663.db2.gz DGKWIQTYMXQZDI-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001085986836 760657322 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C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458084 776183093 /nfs/dbraw/zinc/18/30/93/776183093.db2.gz NBIHIXGEFDIUMD-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595790 776361428 /nfs/dbraw/zinc/36/14/28/776361428.db2.gz GOOXBDONLIIOBV-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001100861657 776644643 /nfs/dbraw/zinc/64/46/43/776644643.db2.gz MZDIBCDPMDXWCF-UHFFFAOYSA-N 2 2 323.400 1.389 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095004646 776976074 /nfs/dbraw/zinc/97/60/74/776976074.db2.gz FFGRGFXKYRDGMO-OBJOEFQTSA-N 2 2 308.813 1.674 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456052 778150466 /nfs/dbraw/zinc/15/04/66/778150466.db2.gz HAWTUUPGLONKJE-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456052 778150468 /nfs/dbraw/zinc/15/04/68/778150468.db2.gz HAWTUUPGLONKJE-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456052 778150471 /nfs/dbraw/zinc/15/04/71/778150471.db2.gz HAWTUUPGLONKJE-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456052 778150476 /nfs/dbraw/zinc/15/04/76/778150476.db2.gz HAWTUUPGLONKJE-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177101984 778446827 /nfs/dbraw/zinc/44/68/27/778446827.db2.gz PPKWLMLCIPMMKA-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177101984 778446829 /nfs/dbraw/zinc/44/68/29/778446829.db2.gz PPKWLMLCIPMMKA-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138171 778457279 /nfs/dbraw/zinc/45/72/79/778457279.db2.gz JPMNOGDBBCJPFA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177138171 778457281 /nfs/dbraw/zinc/45/72/81/778457281.db2.gz JPMNOGDBBCJPFA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138171 778457283 /nfs/dbraw/zinc/45/72/83/778457283.db2.gz JPMNOGDBBCJPFA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138171 778457286 /nfs/dbraw/zinc/45/72/86/778457286.db2.gz JPMNOGDBBCJPFA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774684 779039974 /nfs/dbraw/zinc/03/99/74/779039974.db2.gz MKIHCTWSXYYGFS-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774684 779039977 /nfs/dbraw/zinc/03/99/77/779039977.db2.gz MKIHCTWSXYYGFS-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019106 779248532 /nfs/dbraw/zinc/24/85/32/779248532.db2.gz QXYXYRPDQGZPEE-KKUMJFAQSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580669 780249008 /nfs/dbraw/zinc/24/90/08/780249008.db2.gz HKXMWXAKHKRKOR-HUUCEWRRSA-N 2 2 314.433 1.945 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580669 780249011 /nfs/dbraw/zinc/24/90/11/780249011.db2.gz HKXMWXAKHKRKOR-HUUCEWRRSA-N 2 2 314.433 1.945 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120009724 781721424 /nfs/dbraw/zinc/72/14/24/781721424.db2.gz DXSVNHOXNDHSDB-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465332 836298635 /nfs/dbraw/zinc/29/86/35/836298635.db2.gz UHCWRFBAGPGXIK-OAHLLOKOSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266873858 836980163 /nfs/dbraw/zinc/98/01/63/836980163.db2.gz ZRNUBSAXWDXFHU-RDJZCZTQSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736345 840739192 /nfs/dbraw/zinc/73/91/92/840739192.db2.gz RGJNKDMUHDFRLR-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736345 840739201 /nfs/dbraw/zinc/73/92/01/840739201.db2.gz RGJNKDMUHDFRLR-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001284702013 842150238 /nfs/dbraw/zinc/15/02/38/842150238.db2.gz JMXNAYQJIKTMDN-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491417 843646518 /nfs/dbraw/zinc/64/65/18/843646518.db2.gz RBOJZINXUPOFSF-ZBFHGGJFSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034250873 848167919 /nfs/dbraw/zinc/16/79/19/848167919.db2.gz XWVNUKZZTFKSKO-MYNUTGAYSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC001034250873 848167925 /nfs/dbraw/zinc/16/79/25/848167925.db2.gz XWVNUKZZTFKSKO-MYNUTGAYSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C/C=C/Cl)C1 ZINC001034250873 848167931 /nfs/dbraw/zinc/16/79/31/848167931.db2.gz XWVNUKZZTFKSKO-MYNUTGAYSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C/C=C/Cl)C1 ZINC001034250873 848167935 /nfs/dbraw/zinc/16/79/35/848167935.db2.gz XWVNUKZZTFKSKO-MYNUTGAYSA-N 2 2 323.868 1.807 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274977 848225273 /nfs/dbraw/zinc/22/52/73/848225273.db2.gz WQKNVHMTODOAJI-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274977 848225265 /nfs/dbraw/zinc/22/52/65/848225265.db2.gz WQKNVHMTODOAJI-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034400491 848465446 /nfs/dbraw/zinc/46/54/46/848465446.db2.gz RJXJMTJJOPROGY-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034400491 848465452 /nfs/dbraw/zinc/46/54/52/848465452.db2.gz RJXJMTJJOPROGY-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277876 862024469 /nfs/dbraw/zinc/02/44/69/862024469.db2.gz ZTKMCSYEGNOYFM-UHFFFAOYSA-N 2 2 324.428 1.784 20 30 DDEDLP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277876 862024489 /nfs/dbraw/zinc/02/44/89/862024489.db2.gz ZTKMCSYEGNOYFM-UHFFFAOYSA-N 2 2 324.428 1.784 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)O2 ZINC001327362882 862105915 /nfs/dbraw/zinc/10/59/15/862105915.db2.gz DSTXPQNNKLGJSY-HZPDHXFCSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)O2 ZINC001327362882 862105922 /nfs/dbraw/zinc/10/59/22/862105922.db2.gz DSTXPQNNKLGJSY-HZPDHXFCSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508182 862284870 /nfs/dbraw/zinc/28/48/70/862284870.db2.gz OXOARPWYUCRWLC-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508182 862284883 /nfs/dbraw/zinc/28/48/83/862284883.db2.gz OXOARPWYUCRWLC-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](CCCC#N)CC2 ZINC001274040481 851875537 /nfs/dbraw/zinc/87/55/37/851875537.db2.gz PQSJHMOZNXNULM-HNNXBMFYSA-N 2 2 315.421 1.442 20 30 DDEDLP N#CCCC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274040118 851880033 /nfs/dbraw/zinc/88/00/33/851880033.db2.gz GZEAECLLQOMLBD-MRXNPFEDSA-N 2 2 301.394 1.254 20 30 DDEDLP N#CCCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274040118 851880041 /nfs/dbraw/zinc/88/00/41/851880041.db2.gz GZEAECLLQOMLBD-MRXNPFEDSA-N 2 2 301.394 1.254 20 30 DDEDLP C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001274575746 852409456 /nfs/dbraw/zinc/40/94/56/852409456.db2.gz IHQUDZMDBFZOLC-INIZCTEOSA-N 2 2 302.378 1.245 20 30 DDEDLP C#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275976085 854061394 /nfs/dbraw/zinc/06/13/94/854061394.db2.gz ZEKKNMYCRZBSGO-GOSISDBHSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275976085 854061398 /nfs/dbraw/zinc/06/13/98/854061398.db2.gz ZEKKNMYCRZBSGO-GOSISDBHSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275976085 854061402 /nfs/dbraw/zinc/06/14/02/854061402.db2.gz ZEKKNMYCRZBSGO-GOSISDBHSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275976085 854061405 /nfs/dbraw/zinc/06/14/05/854061405.db2.gz ZEKKNMYCRZBSGO-GOSISDBHSA-N 2 2 305.466 1.666 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202856319 860164131 /nfs/dbraw/zinc/16/41/31/860164131.db2.gz KJSZNGPJNCXZCW-KBPBESRZSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001330431611 864341858 /nfs/dbraw/zinc/34/18/58/864341858.db2.gz UBIPXUGOLLHXFS-ZFWWWQNUSA-N 2 2 306.410 1.124 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158258964 864521849 /nfs/dbraw/zinc/52/18/49/864521849.db2.gz MYFCAWGOTYWXTN-LBPRGKRZSA-N 2 2 319.840 1.917 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158258964 864521859 /nfs/dbraw/zinc/52/18/59/864521859.db2.gz MYFCAWGOTYWXTN-LBPRGKRZSA-N 2 2 319.840 1.917 20 30 DDEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331287646 864990697 /nfs/dbraw/zinc/99/06/97/864990697.db2.gz FDRIDKBGBKQMGL-IIAWOOMASA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331287646 864990708 /nfs/dbraw/zinc/99/07/08/864990708.db2.gz FDRIDKBGBKQMGL-IIAWOOMASA-N 2 2 300.406 1.363 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2[nH]cc(C)c21 ZINC001159918931 865595377 /nfs/dbraw/zinc/59/53/77/865595377.db2.gz MINFWIVMJZXPQA-LBPRGKRZSA-N 2 2 317.393 1.857 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001277060565 881951347 /nfs/dbraw/zinc/95/13/47/881951347.db2.gz PUKIRLKZUBNGJP-UHFFFAOYSA-N 2 2 302.422 1.576 20 30 DDEDLP [NH3+]C1(C(=O)N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001161152288 866411439 /nfs/dbraw/zinc/41/14/39/866411439.db2.gz FQKRMQIZIUCNCQ-UHFFFAOYSA-N 2 2 311.429 1.358 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001320112614 866482237 /nfs/dbraw/zinc/48/22/37/866482237.db2.gz DXZZXEYUOPNPSH-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001320112614 866482241 /nfs/dbraw/zinc/48/22/41/866482241.db2.gz DXZZXEYUOPNPSH-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP N#CCC[NH2+]CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429265 866657884 /nfs/dbraw/zinc/65/78/84/866657884.db2.gz SUAJOGGYTRCIEZ-UHFFFAOYSA-N 2 2 300.406 1.270 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cccnc1 ZINC001322178785 868029244 /nfs/dbraw/zinc/02/92/44/868029244.db2.gz ZWHISICZVOKANN-WBVHZDCISA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cccnc1 ZINC001322178785 868029260 /nfs/dbraw/zinc/02/92/60/868029260.db2.gz ZWHISICZVOKANN-WBVHZDCISA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cccnc1 ZINC001322178785 868029272 /nfs/dbraw/zinc/02/92/72/868029272.db2.gz ZWHISICZVOKANN-WBVHZDCISA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cccnc1 ZINC001322178785 868029295 /nfs/dbraw/zinc/02/92/95/868029295.db2.gz ZWHISICZVOKANN-WBVHZDCISA-N 2 2 314.433 1.116 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274843 868298055 /nfs/dbraw/zinc/29/80/55/868298055.db2.gz HYSRVKLWIGZDKB-CQSZACIVSA-N 2 2 317.861 1.336 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274843 868298075 /nfs/dbraw/zinc/29/80/75/868298075.db2.gz HYSRVKLWIGZDKB-CQSZACIVSA-N 2 2 317.861 1.336 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164492157 869232103 /nfs/dbraw/zinc/23/21/03/869232103.db2.gz VUERGQSVRCGUJW-KRWDZBQOSA-N 2 2 323.481 1.692 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164492157 869232112 /nfs/dbraw/zinc/23/21/12/869232112.db2.gz VUERGQSVRCGUJW-KRWDZBQOSA-N 2 2 323.481 1.692 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1C ZINC001317654935 871327967 /nfs/dbraw/zinc/32/79/67/871327967.db2.gz NCURMCNJMQGGHX-UHFFFAOYSA-N 2 2 311.389 1.082 20 30 DDEDLP C=C[C@H](CO)[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001307951058 871459272 /nfs/dbraw/zinc/45/92/72/871459272.db2.gz FRRJXKCBPLBYIM-MRXNPFEDSA-N 2 2 323.868 1.989 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317845467 871582736 /nfs/dbraw/zinc/58/27/36/871582736.db2.gz QPKDCXSGMMOSKR-HNNXBMFYSA-N 2 2 310.401 1.752 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317845467 871582741 /nfs/dbraw/zinc/58/27/41/871582741.db2.gz QPKDCXSGMMOSKR-HNNXBMFYSA-N 2 2 310.401 1.752 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001318727938 872232600 /nfs/dbraw/zinc/23/26/00/872232600.db2.gz GFQRMKOFDUYQSG-KRWDZBQOSA-N 2 2 302.422 1.251 20 30 DDEDLP C[C@H](O)CN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001348543567 874624597 /nfs/dbraw/zinc/62/45/97/874624597.db2.gz QFDXLFNFTMYUSS-ZDUSSCGKSA-N 2 2 308.401 1.224 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351945 874837759 /nfs/dbraw/zinc/83/77/59/874837759.db2.gz WDNZUYFZEUYZQB-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351945 874837775 /nfs/dbraw/zinc/83/77/75/874837775.db2.gz WDNZUYFZEUYZQB-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351945 874837787 /nfs/dbraw/zinc/83/77/87/874837787.db2.gz WDNZUYFZEUYZQB-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351945 874837802 /nfs/dbraw/zinc/83/78/02/874837802.db2.gz WDNZUYFZEUYZQB-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729807 875082648 /nfs/dbraw/zinc/08/26/48/875082648.db2.gz CWNHKXCBFJKVOQ-RDJZCZTQSA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729807 875082653 /nfs/dbraw/zinc/08/26/53/875082653.db2.gz CWNHKXCBFJKVOQ-RDJZCZTQSA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705817 876789143 /nfs/dbraw/zinc/78/91/43/876789143.db2.gz RZQMGFUCHCQIJI-OWCLPIDISA-N 2 2 320.437 1.473 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC ZINC001276771468 877401950 /nfs/dbraw/zinc/40/19/50/877401950.db2.gz HLRBUVGBSQLVMG-SJORKVTESA-N 2 2 316.449 1.903 20 30 DDEDLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001379968411 878442436 /nfs/dbraw/zinc/44/24/36/878442436.db2.gz BNMOLRRCAYBMBY-IAGOWNOFSA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001379968411 878442441 /nfs/dbraw/zinc/44/24/41/878442441.db2.gz BNMOLRRCAYBMBY-IAGOWNOFSA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774073 878498168 /nfs/dbraw/zinc/49/81/68/878498168.db2.gz CRDYTFWBRHEJBN-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774073 878498175 /nfs/dbraw/zinc/49/81/75/878498175.db2.gz CRDYTFWBRHEJBN-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774073 878498182 /nfs/dbraw/zinc/49/81/82/878498182.db2.gz CRDYTFWBRHEJBN-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774073 878498188 /nfs/dbraw/zinc/49/81/88/878498188.db2.gz CRDYTFWBRHEJBN-CVEARBPZSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229682967 884107606 /nfs/dbraw/zinc/10/76/06/884107606.db2.gz LMRQGALZVOYFAM-HZPDHXFCSA-N 2 2 320.437 1.182 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001277702390 886543532 /nfs/dbraw/zinc/54/35/32/886543532.db2.gz KLEBDXSRZBDNQY-GDBMZVCRSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CC[NH2+]CCN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC001235664021 888860067 /nfs/dbraw/zinc/86/00/67/888860067.db2.gz ZUKCDFUFMWSGPE-UHFFFAOYSA-N 2 2 319.449 1.597 20 30 DDEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCC)CC1 ZINC001278170014 889943413 /nfs/dbraw/zinc/94/34/13/889943413.db2.gz VUGXZPWMQZIMRX-UHFFFAOYSA-N 2 2 316.449 2.000 20 30 DDEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001365999800 892174809 /nfs/dbraw/zinc/17/48/09/892174809.db2.gz QNTWHBIVJGOYJS-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001365999800 892174819 /nfs/dbraw/zinc/17/48/19/892174819.db2.gz QNTWHBIVJGOYJS-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001365999800 892174830 /nfs/dbraw/zinc/17/48/30/892174830.db2.gz QNTWHBIVJGOYJS-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001365999800 892174844 /nfs/dbraw/zinc/17/48/44/892174844.db2.gz QNTWHBIVJGOYJS-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001278589925 894361109 /nfs/dbraw/zinc/36/11/09/894361109.db2.gz WUYUHQGYYRGYEG-KRWDZBQOSA-N 2 2 302.422 1.515 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254653991 896549225 /nfs/dbraw/zinc/54/92/25/896549225.db2.gz QZASPMBLHRMVLU-DGAVXFQQSA-N 2 2 308.426 1.605 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528863 897462822 /nfs/dbraw/zinc/46/28/22/897462822.db2.gz MSGLYXQWRDZKBW-DIECFANBSA-N 2 2 317.433 1.865 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528863 897462833 /nfs/dbraw/zinc/46/28/33/897462833.db2.gz MSGLYXQWRDZKBW-DIECFANBSA-N 2 2 317.433 1.865 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001367860052 898054676 /nfs/dbraw/zinc/05/46/76/898054676.db2.gz WATUPGMPMYIRKA-HNNXBMFYSA-N 2 2 314.433 1.591 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)C[NH+]1CCCC1 ZINC001367860052 898054697 /nfs/dbraw/zinc/05/46/97/898054697.db2.gz WATUPGMPMYIRKA-HNNXBMFYSA-N 2 2 314.433 1.591 20 30 DDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001279090075 898135956 /nfs/dbraw/zinc/13/59/56/898135956.db2.gz XQCVJGNNWBNNHL-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001368143047 898795600 /nfs/dbraw/zinc/79/56/00/898795600.db2.gz GIDVQIBAZUQNAR-ZDUSSCGKSA-N 2 2 310.829 1.969 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001263815262 900730409 /nfs/dbraw/zinc/73/04/09/900730409.db2.gz UYGLMSZAZDLKLN-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001263815262 900730420 /nfs/dbraw/zinc/73/04/20/900730420.db2.gz UYGLMSZAZDLKLN-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266226025 903147986 /nfs/dbraw/zinc/14/79/86/903147986.db2.gz WNJXEFAVFZEEND-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266226025 903147998 /nfs/dbraw/zinc/14/79/98/903147998.db2.gz WNJXEFAVFZEEND-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001281967257 905372284 /nfs/dbraw/zinc/37/22/84/905372284.db2.gz CXLBJSDOVLUVBA-MRXNPFEDSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001281967257 905372302 /nfs/dbraw/zinc/37/23/02/905372302.db2.gz CXLBJSDOVLUVBA-MRXNPFEDSA-N 2 2 302.422 1.299 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001394699845 910333155 /nfs/dbraw/zinc/33/31/55/910333155.db2.gz FOKJEMRMFBNLFI-KBPBESRZSA-N 2 2 324.856 1.980 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565167 422734149 /nfs/dbraw/zinc/73/41/49/422734149.db2.gz JOYKELQTIILKLE-OLZOCXBDSA-N 2 2 319.371 1.646 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565167 422734153 /nfs/dbraw/zinc/73/41/53/422734153.db2.gz JOYKELQTIILKLE-OLZOCXBDSA-N 2 2 319.371 1.646 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695102 529929159 /nfs/dbraw/zinc/92/91/59/529929159.db2.gz BGGHQWPSRNYMPW-KBPBESRZSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695102 529929162 /nfs/dbraw/zinc/92/91/62/529929162.db2.gz BGGHQWPSRNYMPW-KBPBESRZSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695102 529929163 /nfs/dbraw/zinc/92/91/63/529929163.db2.gz BGGHQWPSRNYMPW-KBPBESRZSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695102 529929165 /nfs/dbraw/zinc/92/91/65/529929165.db2.gz BGGHQWPSRNYMPW-KBPBESRZSA-N 2 2 319.453 1.987 20 30 DDEDLP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593718874 355975344 /nfs/dbraw/zinc/97/53/44/355975344.db2.gz ADVXNOZHRURKMG-CYBMUJFWSA-N 2 2 300.406 1.376 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2C1 ZINC000594436620 356212449 /nfs/dbraw/zinc/21/24/49/356212449.db2.gz DZRGIYOPRGPBQK-HNNXBMFYSA-N 2 2 300.406 1.876 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2C1 ZINC000594436620 356212453 /nfs/dbraw/zinc/21/24/53/356212453.db2.gz DZRGIYOPRGPBQK-HNNXBMFYSA-N 2 2 300.406 1.876 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)n1 ZINC000602484204 359010223 /nfs/dbraw/zinc/01/02/23/359010223.db2.gz ILIABYOFKLOCAV-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)n1 ZINC000602484204 359010226 /nfs/dbraw/zinc/01/02/26/359010226.db2.gz ILIABYOFKLOCAV-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP CN(Cc1cccc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602654586 359104848 /nfs/dbraw/zinc/10/48/48/359104848.db2.gz DBHSCSAEVUJADW-SFHVURJKSA-N 2 2 313.449 1.554 20 30 DDEDLP CN(Cc1cccc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602654586 359104854 /nfs/dbraw/zinc/10/48/54/359104854.db2.gz DBHSCSAEVUJADW-SFHVURJKSA-N 2 2 313.449 1.554 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000602675920 359119480 /nfs/dbraw/zinc/11/94/80/359119480.db2.gz XBPQIFFTKZHZAX-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000602675920 359119484 /nfs/dbraw/zinc/11/94/84/359119484.db2.gz XBPQIFFTKZHZAX-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000602905803 359285358 /nfs/dbraw/zinc/28/53/58/359285358.db2.gz DDIOTYRZDSEKAK-QGZVFWFLSA-N 2 2 314.433 1.588 20 30 DDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000602905803 359285365 /nfs/dbraw/zinc/28/53/65/359285365.db2.gz DDIOTYRZDSEKAK-QGZVFWFLSA-N 2 2 314.433 1.588 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602978376 359336781 /nfs/dbraw/zinc/33/67/81/359336781.db2.gz PSCYTFZQEHSCNV-GOEBONIOSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602978376 359336785 /nfs/dbraw/zinc/33/67/85/359336785.db2.gz PSCYTFZQEHSCNV-GOEBONIOSA-N 2 2 306.454 1.599 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257828 360276654 /nfs/dbraw/zinc/27/66/54/360276654.db2.gz GUKAOFIBSJRJOF-QGZVFWFLSA-N 2 2 323.400 1.708 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257828 360276662 /nfs/dbraw/zinc/27/66/62/360276662.db2.gz GUKAOFIBSJRJOF-QGZVFWFLSA-N 2 2 323.400 1.708 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000092808132 407191583 /nfs/dbraw/zinc/19/15/83/407191583.db2.gz PETYVAFFNMMQIC-HNNXBMFYSA-N 2 2 317.437 1.437 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000092808132 407191585 /nfs/dbraw/zinc/19/15/85/407191585.db2.gz PETYVAFFNMMQIC-HNNXBMFYSA-N 2 2 317.437 1.437 20 30 DDEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)C2 ZINC000123537423 407331224 /nfs/dbraw/zinc/33/12/24/407331224.db2.gz GXMOBCZAAFNKOC-AWEZNQCLSA-N 2 2 306.373 1.816 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129505533 407613344 /nfs/dbraw/zinc/61/33/44/407613344.db2.gz UDHFERRSIVFZPH-HRCADAONSA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129505533 407613346 /nfs/dbraw/zinc/61/33/46/407613346.db2.gz UDHFERRSIVFZPH-HRCADAONSA-N 2 2 317.437 1.774 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129188668 407594705 /nfs/dbraw/zinc/59/47/05/407594705.db2.gz JSOIYHSAQXTNOW-INIZCTEOSA-N 2 2 309.454 1.065 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000162596450 408716250 /nfs/dbraw/zinc/71/62/50/408716250.db2.gz STEVHDJGJNWGDA-QGZVFWFLSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000162596450 408716255 /nfs/dbraw/zinc/71/62/55/408716255.db2.gz STEVHDJGJNWGDA-QGZVFWFLSA-N 2 2 312.417 1.297 20 30 DDEDLP Cc1nn(C)c(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1C#N ZINC000349853145 409913494 /nfs/dbraw/zinc/91/34/94/409913494.db2.gz LQJKMPYQESDNLO-UHFFFAOYSA-N 2 2 313.409 1.009 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000317682967 409868133 /nfs/dbraw/zinc/86/81/33/409868133.db2.gz HXMHHKVMFINLHE-IAGOWNOFSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000317682967 409868138 /nfs/dbraw/zinc/86/81/38/409868138.db2.gz HXMHHKVMFINLHE-IAGOWNOFSA-N 2 2 300.402 1.651 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC000328916360 410008347 /nfs/dbraw/zinc/00/83/47/410008347.db2.gz AKJNWQPEHAAEIY-WFASDCNBSA-N 2 2 308.451 1.839 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[N@H+]2CCN1CCC2 ZINC000328963185 410023534 /nfs/dbraw/zinc/02/35/34/410023534.db2.gz RESDNPOYKOMQHF-UONOGXRCSA-N 2 2 303.410 1.107 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000247486182 222229496 /nfs/dbraw/zinc/22/94/96/222229496.db2.gz KOEGSUDJFGOVQS-YJBOKZPZSA-N 2 2 318.465 1.603 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000247486182 222229498 /nfs/dbraw/zinc/22/94/98/222229498.db2.gz KOEGSUDJFGOVQS-YJBOKZPZSA-N 2 2 318.465 1.603 20 30 DDEDLP CC[C@@]1(C)CCN(C(NCC[N@@H+]2CCOCC2(C)C)=[NH+]C)C1 ZINC000261822236 222258692 /nfs/dbraw/zinc/25/86/92/222258692.db2.gz UPDXVZQONOCGAG-KRWDZBQOSA-N 2 2 310.486 1.795 20 30 DDEDLP CC[C@@]1(C)CCN(C(NCC[N@H+]2CCOCC2(C)C)=[NH+]C)C1 ZINC000261822236 222258694 /nfs/dbraw/zinc/25/86/94/222258694.db2.gz UPDXVZQONOCGAG-KRWDZBQOSA-N 2 2 310.486 1.795 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N(C)Cc1ccon1 ZINC000261827006 222259759 /nfs/dbraw/zinc/25/97/59/222259759.db2.gz VCSOCXJNXYBIOM-UHFFFAOYSA-N 2 2 316.409 1.457 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267461380 222387051 /nfs/dbraw/zinc/38/70/51/222387051.db2.gz VEMVBPJQVOYKCQ-UONOGXRCSA-N 2 2 303.410 1.597 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267461380 222387052 /nfs/dbraw/zinc/38/70/52/222387052.db2.gz VEMVBPJQVOYKCQ-UONOGXRCSA-N 2 2 303.410 1.597 20 30 DDEDLP C=C(Cl)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363237728 418763497 /nfs/dbraw/zinc/76/34/97/418763497.db2.gz PNWCPONJQPGMQC-UHFFFAOYSA-N 2 2 314.861 1.597 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363217691 418763958 /nfs/dbraw/zinc/76/39/58/418763958.db2.gz AUHKGBWDIUZSCO-KRWDZBQOSA-N 2 2 322.497 1.123 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217691 418763961 /nfs/dbraw/zinc/76/39/61/418763961.db2.gz AUHKGBWDIUZSCO-KRWDZBQOSA-N 2 2 322.497 1.123 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415404 418765538 /nfs/dbraw/zinc/76/55/38/418765538.db2.gz WDNOYCXZTXVKPW-CBZIJGRNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415404 418765541 /nfs/dbraw/zinc/76/55/41/418765541.db2.gz WDNOYCXZTXVKPW-CBZIJGRNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415404 418765542 /nfs/dbraw/zinc/76/55/42/418765542.db2.gz WDNOYCXZTXVKPW-CBZIJGRNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415404 418765544 /nfs/dbraw/zinc/76/55/44/418765544.db2.gz WDNOYCXZTXVKPW-CBZIJGRNSA-N 2 2 318.465 1.457 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1C#N ZINC000365082351 418836423 /nfs/dbraw/zinc/83/64/23/418836423.db2.gz DHQRODAROCAHLF-RDJZCZTQSA-N 2 2 302.422 1.487 20 30 DDEDLP N#Cc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000444641968 230115901 /nfs/dbraw/zinc/11/59/01/230115901.db2.gz VXPWYVWIBTYHRC-UHFFFAOYSA-N 2 2 313.449 1.951 20 30 DDEDLP CC(C)[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109759 421680210 /nfs/dbraw/zinc/68/02/10/421680210.db2.gz FJKPVNHQSRJTRD-ZWKOTPCHSA-N 2 2 324.513 1.539 20 30 DDEDLP CC(C)[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109759 421680214 /nfs/dbraw/zinc/68/02/14/421680214.db2.gz FJKPVNHQSRJTRD-ZWKOTPCHSA-N 2 2 324.513 1.539 20 30 DDEDLP CC(C)[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475734 421792206 /nfs/dbraw/zinc/79/22/06/421792206.db2.gz RIUVTSXJOUJOKA-ROUUACIJSA-N 2 2 324.513 1.683 20 30 DDEDLP CC(C)[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475734 421792207 /nfs/dbraw/zinc/79/22/07/421792207.db2.gz RIUVTSXJOUJOKA-ROUUACIJSA-N 2 2 324.513 1.683 20 30 DDEDLP C=CC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000636988838 421938375 /nfs/dbraw/zinc/93/83/75/421938375.db2.gz YXOYDACSXQPGLD-HNNXBMFYSA-N 2 2 308.470 1.620 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400518 422102096 /nfs/dbraw/zinc/10/20/96/422102096.db2.gz SWLFSIOWTJJWBX-CJNGLKHVSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400518 422102103 /nfs/dbraw/zinc/10/21/03/422102103.db2.gz SWLFSIOWTJJWBX-CJNGLKHVSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400518 422102107 /nfs/dbraw/zinc/10/21/07/422102107.db2.gz SWLFSIOWTJJWBX-CJNGLKHVSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400518 422102114 /nfs/dbraw/zinc/10/21/14/422102114.db2.gz SWLFSIOWTJJWBX-CJNGLKHVSA-N 2 2 312.421 1.763 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655712729 424640874 /nfs/dbraw/zinc/64/08/74/424640874.db2.gz QVTRSONTWTZIII-SFHVURJKSA-N 3 2 307.482 1.870 20 30 DDEDLP C=CC[C@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662392855 424605011 /nfs/dbraw/zinc/60/50/11/424605011.db2.gz MGRSOAZSRALPJV-GOSISDBHSA-N 2 2 314.433 1.996 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000662663843 424727251 /nfs/dbraw/zinc/72/72/51/424727251.db2.gz KXQLCUXLMWXAAB-NVXWUHKLSA-N 2 2 307.438 1.008 20 30 DDEDLP C=CC[C@@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC[NH2+]1 ZINC000662684149 424734355 /nfs/dbraw/zinc/73/43/55/424734355.db2.gz AYCVBYQSYVHBOL-KRWDZBQOSA-N 2 2 302.422 1.576 20 30 DDEDLP C[C@H]1CN(Cc2nc(C#N)cs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000356294518 267235107 /nfs/dbraw/zinc/23/51/07/267235107.db2.gz ABXMZGFPDMSKKU-ZDUSSCGKSA-N 2 2 319.478 1.615 20 30 DDEDLP C[C@H]1CN(Cc2nc(C#N)cs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000356294518 267235112 /nfs/dbraw/zinc/23/51/12/267235112.db2.gz ABXMZGFPDMSKKU-ZDUSSCGKSA-N 2 2 319.478 1.615 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000266153450 276151545 /nfs/dbraw/zinc/15/15/45/276151545.db2.gz XQSZQPPJMQUKEV-QGZVFWFLSA-N 2 2 312.417 1.737 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245435770 341293709 /nfs/dbraw/zinc/29/37/09/341293709.db2.gz DBLASNBOONGLPP-JKSUJKDBSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245435770 341293710 /nfs/dbraw/zinc/29/37/10/341293710.db2.gz DBLASNBOONGLPP-JKSUJKDBSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245435770 341293711 /nfs/dbraw/zinc/29/37/11/341293711.db2.gz DBLASNBOONGLPP-JKSUJKDBSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245435770 341293712 /nfs/dbraw/zinc/29/37/12/341293712.db2.gz DBLASNBOONGLPP-JKSUJKDBSA-N 2 2 308.470 1.801 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000490605227 526918246 /nfs/dbraw/zinc/91/82/46/526918246.db2.gz PIUWCSZCEFLCRG-UHFFFAOYSA-N 2 2 300.406 1.461 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000490779271 526947805 /nfs/dbraw/zinc/94/78/05/526947805.db2.gz UQWCOAUBWCBDKD-CQSZACIVSA-N 2 2 305.447 1.518 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000490779271 526947810 /nfs/dbraw/zinc/94/78/10/526947810.db2.gz UQWCOAUBWCBDKD-CQSZACIVSA-N 2 2 305.447 1.518 20 30 DDEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000491664546 527392709 /nfs/dbraw/zinc/39/27/09/527392709.db2.gz HPQAHZOTXOKKNI-HNNXBMFYSA-N 2 2 308.470 1.360 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329784100 529086299 /nfs/dbraw/zinc/08/62/99/529086299.db2.gz VSKXNOINPDGCGO-HIFRSBDPSA-N 2 2 319.453 1.952 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329784100 529086305 /nfs/dbraw/zinc/08/63/05/529086305.db2.gz VSKXNOINPDGCGO-HIFRSBDPSA-N 2 2 319.453 1.952 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000819750634 606417902 /nfs/dbraw/zinc/41/79/02/606417902.db2.gz IASQAWTVMUMSHT-UHFFFAOYSA-N 2 2 304.423 1.668 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816962 695101604 /nfs/dbraw/zinc/10/16/04/695101604.db2.gz CHMAKXKTRIJIGS-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816962 695101605 /nfs/dbraw/zinc/10/16/05/695101605.db2.gz CHMAKXKTRIJIGS-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656873 695310754 /nfs/dbraw/zinc/31/07/54/695310754.db2.gz WYLLEWPXDNXEEY-QGZVFWFLSA-N 2 2 318.421 1.140 20 30 DDEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656873 695310755 /nfs/dbraw/zinc/31/07/55/695310755.db2.gz WYLLEWPXDNXEEY-QGZVFWFLSA-N 2 2 318.421 1.140 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699387 695318978 /nfs/dbraw/zinc/31/89/78/695318978.db2.gz FFOZXAFSTRXXLF-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699387 695318981 /nfs/dbraw/zinc/31/89/81/695318981.db2.gz FFOZXAFSTRXXLF-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978171432 696335403 /nfs/dbraw/zinc/33/54/03/696335403.db2.gz XRGVSAUBXSAPRS-OSYLJGHBSA-N 2 2 322.412 1.574 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978171432 696335407 /nfs/dbraw/zinc/33/54/07/696335407.db2.gz XRGVSAUBXSAPRS-OSYLJGHBSA-N 2 2 322.412 1.574 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330304 697067602 /nfs/dbraw/zinc/06/76/02/697067602.db2.gz CFOCZEOIECPEFW-OAHLLOKOSA-N 2 2 300.406 1.318 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330304 697067603 /nfs/dbraw/zinc/06/76/03/697067603.db2.gz CFOCZEOIECPEFW-OAHLLOKOSA-N 2 2 300.406 1.318 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981482702 697107774 /nfs/dbraw/zinc/10/77/74/697107774.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 2 2 314.433 1.381 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981482702 697107775 /nfs/dbraw/zinc/10/77/75/697107775.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 2 2 314.433 1.381 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482702 697107777 /nfs/dbraw/zinc/10/77/77/697107777.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 2 2 314.433 1.381 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418841 697125557 /nfs/dbraw/zinc/12/55/57/697125557.db2.gz UEFDQSZBCNOBGN-HDICACEKSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418841 697125558 /nfs/dbraw/zinc/12/55/58/697125558.db2.gz UEFDQSZBCNOBGN-HDICACEKSA-N 2 2 314.433 1.467 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985501541 697521159 /nfs/dbraw/zinc/52/11/59/697521159.db2.gz WCTDXSLIWLHXFN-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985501541 697521162 /nfs/dbraw/zinc/52/11/62/697521162.db2.gz WCTDXSLIWLHXFN-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800453 697576328 /nfs/dbraw/zinc/57/63/28/697576328.db2.gz AMKURHQVNLWQRN-QGZVFWFLSA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800453 697576330 /nfs/dbraw/zinc/57/63/30/697576330.db2.gz AMKURHQVNLWQRN-QGZVFWFLSA-N 2 2 314.433 1.240 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCCC3(C)C)cn2)CC1 ZINC000782287125 698703993 /nfs/dbraw/zinc/70/39/93/698703993.db2.gz KANZHRROOAXWTK-HNNXBMFYSA-N 2 2 316.453 1.731 20 30 DDEDLP C[C@@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000755664913 700576265 /nfs/dbraw/zinc/57/62/65/700576265.db2.gz RACWWMCCOZYVDG-OAHLLOKOSA-N 2 2 324.432 1.913 20 30 DDEDLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866260276 706660230 /nfs/dbraw/zinc/66/02/30/706660230.db2.gz KDPMZKZPHZMQRI-UONOGXRCSA-N 2 2 302.422 1.550 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845626500 703184182 /nfs/dbraw/zinc/18/41/82/703184182.db2.gz VZTFGENIVLCGGR-HIFRSBDPSA-N 2 2 310.442 1.302 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845626500 703184183 /nfs/dbraw/zinc/18/41/83/703184183.db2.gz VZTFGENIVLCGGR-HIFRSBDPSA-N 2 2 310.442 1.302 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccco1 ZINC000848992380 703607907 /nfs/dbraw/zinc/60/79/07/703607907.db2.gz SYJSVJUFCGHYAY-UHFFFAOYSA-N 2 2 301.394 1.720 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865194552 706377941 /nfs/dbraw/zinc/37/79/41/706377941.db2.gz YTARCUOABMIVHA-ONEGZZNKSA-N 2 2 307.438 1.032 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884470428 708309662 /nfs/dbraw/zinc/30/96/62/708309662.db2.gz OEWOJOPIBMTKEA-QXCFYTAISA-N 2 2 324.428 1.429 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884470428 708309664 /nfs/dbraw/zinc/30/96/64/708309664.db2.gz OEWOJOPIBMTKEA-QXCFYTAISA-N 2 2 324.428 1.429 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000927770659 713052155 /nfs/dbraw/zinc/05/21/55/713052155.db2.gz ASHRFYBRCNMQHB-UHFFFAOYSA-N 2 2 320.462 1.166 20 30 DDEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000915973980 713436988 /nfs/dbraw/zinc/43/69/88/713436988.db2.gz OZIWLANLDXIZFM-UHFFFAOYSA-N 2 2 316.449 1.933 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000960286912 716480242 /nfs/dbraw/zinc/48/02/42/716480242.db2.gz FADSPQQKHIMORS-SJLPKXTDSA-N 2 2 308.385 1.197 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206851 717548749 /nfs/dbraw/zinc/54/87/49/717548749.db2.gz GAQZUNLBXYZHLQ-OCCSQVGLSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206851 717548751 /nfs/dbraw/zinc/54/87/51/717548751.db2.gz GAQZUNLBXYZHLQ-OCCSQVGLSA-N 2 2 306.410 1.362 20 30 DDEDLP N#Cc1ccc(C[NH2+]CC2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000962888615 717622713 /nfs/dbraw/zinc/62/27/13/717622713.db2.gz QYELSEOLIXGJFU-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000965848017 717782336 /nfs/dbraw/zinc/78/23/36/717782336.db2.gz UBNRKEYTFZUWAJ-UHFFFAOYSA-N 2 2 322.840 1.732 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089411 718762632 /nfs/dbraw/zinc/76/26/32/718762632.db2.gz RYOFOYGSILFTEV-CJNGLKHVSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089411 718762634 /nfs/dbraw/zinc/76/26/34/718762634.db2.gz RYOFOYGSILFTEV-CJNGLKHVSA-N 2 2 320.437 1.753 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540867 719204250 /nfs/dbraw/zinc/20/42/50/719204250.db2.gz ZKWXZUHLMBUIHV-LSDHHAIUSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540867 719204253 /nfs/dbraw/zinc/20/42/53/719204253.db2.gz ZKWXZUHLMBUIHV-LSDHHAIUSA-N 2 2 310.401 1.940 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566137 719552157 /nfs/dbraw/zinc/55/21/57/719552157.db2.gz KEXYYOFHNKSHNV-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566137 719552160 /nfs/dbraw/zinc/55/21/60/719552160.db2.gz KEXYYOFHNKSHNV-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914473 719864646 /nfs/dbraw/zinc/86/46/46/719864646.db2.gz VNLDVARMWPDCIC-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914473 719864652 /nfs/dbraw/zinc/86/46/52/719864652.db2.gz VNLDVARMWPDCIC-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925339 719875702 /nfs/dbraw/zinc/87/57/02/719875702.db2.gz AMBXUOUBFPEXFK-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977922 720583973 /nfs/dbraw/zinc/58/39/73/720583973.db2.gz BPTPTSLESLKKDG-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950642754 720718665 /nfs/dbraw/zinc/71/86/65/720718665.db2.gz UXNJTRHDOAHFFS-OAHLLOKOSA-N 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C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723932 733486652 /nfs/dbraw/zinc/48/66/52/733486652.db2.gz GWICBYLCELLLSE-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723932 733486653 /nfs/dbraw/zinc/48/66/53/733486653.db2.gz GWICBYLCELLLSE-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001022322355 734488311 /nfs/dbraw/zinc/48/83/11/734488311.db2.gz PMVQOOMTJDPWAR-RWMBFGLXSA-N 2 2 322.840 1.812 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001022322355 734488314 /nfs/dbraw/zinc/48/83/14/734488314.db2.gz PMVQOOMTJDPWAR-RWMBFGLXSA-N 2 2 322.840 1.812 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447740 735243460 /nfs/dbraw/zinc/24/34/60/735243460.db2.gz VHJKMMQDFHALGL-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024511380 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759114321 /nfs/dbraw/zinc/11/43/21/759114321.db2.gz UWQIXNBNCWYGIO-MSOLQXFVSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061111 759114327 /nfs/dbraw/zinc/11/43/27/759114327.db2.gz UWQIXNBNCWYGIO-MSOLQXFVSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061111 759114332 /nfs/dbraw/zinc/11/43/32/759114332.db2.gz UWQIXNBNCWYGIO-MSOLQXFVSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061111 759114334 /nfs/dbraw/zinc/11/43/34/759114334.db2.gz UWQIXNBNCWYGIO-MSOLQXFVSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147165 759225620 /nfs/dbraw/zinc/22/56/20/759225620.db2.gz LTZJBHVZMUDDAN-RKVPGOIHSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001054147165 759225629 /nfs/dbraw/zinc/22/56/29/759225629.db2.gz LTZJBHVZMUDDAN-RKVPGOIHSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281656 759389576 /nfs/dbraw/zinc/38/95/76/759389576.db2.gz VAHRAYWMJKCKAL-KDOFPFPSSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281656 759389584 /nfs/dbraw/zinc/38/95/84/759389584.db2.gz VAHRAYWMJKCKAL-KDOFPFPSSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281656 759389594 /nfs/dbraw/zinc/38/95/94/759389594.db2.gz VAHRAYWMJKCKAL-KDOFPFPSSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281656 759389603 /nfs/dbraw/zinc/38/96/03/759389603.db2.gz VAHRAYWMJKCKAL-KDOFPFPSSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680195 759994047 /nfs/dbraw/zinc/99/40/47/759994047.db2.gz ASLGFSFJFIJLHP-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680195 759994049 /nfs/dbraw/zinc/99/40/49/759994049.db2.gz ASLGFSFJFIJLHP-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108249387 761109083 /nfs/dbraw/zinc/10/90/83/761109083.db2.gz CBSFGYVBMCAAKO-NVXWUHKLSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108249387 761109085 /nfs/dbraw/zinc/10/90/85/761109085.db2.gz CBSFGYVBMCAAKO-NVXWUHKLSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001086438726 761611765 /nfs/dbraw/zinc/61/17/65/761611765.db2.gz BRXLKXLVXFEGPT-ULQDDVLXSA-N 2 2 321.465 1.158 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001086438726 761611767 /nfs/dbraw/zinc/61/17/67/761611767.db2.gz BRXLKXLVXFEGPT-ULQDDVLXSA-N 2 2 321.465 1.158 20 30 DDEDLP C#CC[N@H+]1CC=C(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001001325357 762763054 /nfs/dbraw/zinc/76/30/54/762763054.db2.gz RJHMFSUINFNYPM-UHFFFAOYSA-N 2 2 320.396 1.867 20 30 DDEDLP C#CC[N@@H+]1CC=C(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001001325357 762763055 /nfs/dbraw/zinc/76/30/55/762763055.db2.gz RJHMFSUINFNYPM-UHFFFAOYSA-N 2 2 320.396 1.867 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727104 762886500 /nfs/dbraw/zinc/88/65/00/762886500.db2.gz JLWZKEYIZNJLBG-XHSDSOJGSA-N 2 2 322.412 1.940 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733368 763269171 /nfs/dbraw/zinc/26/91/71/763269171.db2.gz UOEXBZGMCLVTFM-WMLDXEAASA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733368 763269177 /nfs/dbraw/zinc/26/91/77/763269177.db2.gz UOEXBZGMCLVTFM-WMLDXEAASA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733368 763269179 /nfs/dbraw/zinc/26/91/79/763269179.db2.gz UOEXBZGMCLVTFM-WMLDXEAASA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733368 763269184 /nfs/dbraw/zinc/26/91/84/763269184.db2.gz UOEXBZGMCLVTFM-WMLDXEAASA-N 2 2 300.406 1.146 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042161925 763726752 /nfs/dbraw/zinc/72/67/52/763726752.db2.gz DIOHZOVJAHPNRA-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042161925 763726759 /nfs/dbraw/zinc/72/67/59/763726759.db2.gz DIOHZOVJAHPNRA-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042354706 763957339 /nfs/dbraw/zinc/95/73/39/763957339.db2.gz CMDCZGXZEDHYRJ-GJZGRUSLSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042354706 763957342 /nfs/dbraw/zinc/95/73/42/763957342.db2.gz CMDCZGXZEDHYRJ-GJZGRUSLSA-N 2 2 311.857 1.758 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846541 764127545 /nfs/dbraw/zinc/12/75/45/764127545.db2.gz OQFTYGQPGHQYSF-IKGGRYGDSA-N 2 2 314.433 1.717 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846541 764127549 /nfs/dbraw/zinc/12/75/49/764127549.db2.gz OQFTYGQPGHQYSF-IKGGRYGDSA-N 2 2 314.433 1.717 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001051004118 764407466 /nfs/dbraw/zinc/40/74/66/764407466.db2.gz YAXCHIPTNOAZEH-HNNXBMFYSA-N 2 2 307.438 1.008 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001051004118 764407470 /nfs/dbraw/zinc/40/74/70/764407470.db2.gz YAXCHIPTNOAZEH-HNNXBMFYSA-N 2 2 307.438 1.008 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001051074698 764480030 /nfs/dbraw/zinc/48/00/30/764480030.db2.gz CNTKTMKVFHDUIX-DLBZAZTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001051074698 764480033 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DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052502262 765892715 /nfs/dbraw/zinc/89/27/15/765892715.db2.gz BXISDBGYHHNUCR-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502973 765894367 /nfs/dbraw/zinc/89/43/67/765894367.db2.gz PSHUFBUXOXXICS-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502973 765894371 /nfs/dbraw/zinc/89/43/71/765894371.db2.gz PSHUFBUXOXXICS-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001045255023 766187934 /nfs/dbraw/zinc/18/79/34/766187934.db2.gz PPADRNXNFPPJSB-INIZCTEOSA-N 2 2 323.400 1.605 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426033 767547191 /nfs/dbraw/zinc/54/71/91/767547191.db2.gz MGYZOHFDHRAMSS-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426033 767547194 /nfs/dbraw/zinc/54/71/94/767547194.db2.gz MGYZOHFDHRAMSS-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784461 769194383 /nfs/dbraw/zinc/19/43/83/769194383.db2.gz VSLQDZCNBWMMQO-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784461 769194387 /nfs/dbraw/zinc/19/43/87/769194387.db2.gz VSLQDZCNBWMMQO-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)C ZINC001049529406 770983271 /nfs/dbraw/zinc/98/32/71/770983271.db2.gz MBNCXNGTARSUOR-KURKYZTESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=C)C ZINC001049529406 770983272 /nfs/dbraw/zinc/98/32/72/770983272.db2.gz MBNCXNGTARSUOR-KURKYZTESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(=C)C ZINC001049529406 770983274 /nfs/dbraw/zinc/98/32/74/770983274.db2.gz MBNCXNGTARSUOR-KURKYZTESA-N 2 2 315.461 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ZINC001158266172 864526110 /nfs/dbraw/zinc/52/61/10/864526110.db2.gz ARVNQKLUGDPLJE-GFCCVEGCSA-N 2 2 310.405 1.436 20 30 DDEDLP N#Cc1cc2nc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)ccc2[nH]1 ZINC001158266172 864526115 /nfs/dbraw/zinc/52/61/15/864526115.db2.gz ARVNQKLUGDPLJE-GFCCVEGCSA-N 2 2 310.405 1.436 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N)cc(Cl)[nH+]1 ZINC001159921354 865596116 /nfs/dbraw/zinc/59/61/16/865596116.db2.gz QGDJZRREYQWYQY-NSHDSACASA-N 2 2 312.801 1.956 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001332386567 865806066 /nfs/dbraw/zinc/80/60/66/865806066.db2.gz GCIMPHLZJMDKIU-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001332386567 865806083 /nfs/dbraw/zinc/80/60/83/865806083.db2.gz GCIMPHLZJMDKIU-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529381 865916397 /nfs/dbraw/zinc/91/63/97/865916397.db2.gz IFDFXQKNQMDNAC-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529381 865916402 /nfs/dbraw/zinc/91/64/02/865916402.db2.gz IFDFXQKNQMDNAC-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)Cl)C1CC1 ZINC001323016677 866270386 /nfs/dbraw/zinc/27/03/86/866270386.db2.gz YHQWWABVNHDAMJ-GJZGRUSLSA-N 2 2 309.841 1.321 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001323150691 866386443 /nfs/dbraw/zinc/38/64/43/866386443.db2.gz QYSKCIYKCSTFIT-JKSUJKDBSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC(F)(F)F ZINC001320008143 866428054 /nfs/dbraw/zinc/42/80/54/866428054.db2.gz DCKDJIVALFTBJS-ZDUSSCGKSA-N 2 2 319.371 1.427 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC(F)(F)F ZINC001320008143 866428055 /nfs/dbraw/zinc/42/80/55/866428055.db2.gz DCKDJIVALFTBJS-ZDUSSCGKSA-N 2 2 319.371 1.427 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC(F)(F)F ZINC001320008143 866428056 /nfs/dbraw/zinc/42/80/56/866428056.db2.gz DCKDJIVALFTBJS-ZDUSSCGKSA-N 2 2 319.371 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC(F)(F)F ZINC001320008143 866428057 /nfs/dbraw/zinc/42/80/57/866428057.db2.gz DCKDJIVALFTBJS-ZDUSSCGKSA-N 2 2 319.371 1.427 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001325109221 867777157 /nfs/dbraw/zinc/77/71/57/867777157.db2.gz AHHRUGYZPOHGJP-QGZVFWFLSA-N 2 2 314.389 1.077 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001325109221 867777166 /nfs/dbraw/zinc/77/71/66/867777166.db2.gz AHHRUGYZPOHGJP-QGZVFWFLSA-N 2 2 314.389 1.077 20 30 DDEDLP N#CC1(c2cc[nH+]c(NCc3nnn4c3C[NH2+]CCC4)c2)CC1 ZINC001162971388 867960334 /nfs/dbraw/zinc/96/03/34/867960334.db2.gz GDOLPNBXRXRMPD-UHFFFAOYSA-N 2 2 309.377 1.334 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283199 868307073 /nfs/dbraw/zinc/30/70/73/868307073.db2.gz KADRWZKGXMCLRU-QGZVFWFLSA-N 2 2 323.481 1.549 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163283199 868307088 /nfs/dbraw/zinc/30/70/88/868307088.db2.gz KADRWZKGXMCLRU-QGZVFWFLSA-N 2 2 323.481 1.549 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC001335457627 868311706 /nfs/dbraw/zinc/31/17/06/868311706.db2.gz NCSUPGCPPREGID-UHFFFAOYSA-N 2 2 303.381 1.842 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165857084 869738481 /nfs/dbraw/zinc/73/84/81/869738481.db2.gz MCABTOOUYXTZKK-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317042333 870153946 /nfs/dbraw/zinc/15/39/46/870153946.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317042333 870153950 /nfs/dbraw/zinc/15/39/50/870153950.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317042333 870153956 /nfs/dbraw/zinc/15/39/56/870153956.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317042333 870153961 /nfs/dbraw/zinc/15/39/61/870153961.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 2 300.406 1.317 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317059261 870182626 /nfs/dbraw/zinc/18/26/26/870182626.db2.gz QDKFOEXCZMWKHM-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243040 870527594 /nfs/dbraw/zinc/52/75/94/870527594.db2.gz UCHPAITVYLZNCW-ZDUSSCGKSA-N 2 2 316.405 1.553 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203605637 870669173 /nfs/dbraw/zinc/66/91/73/870669173.db2.gz LCRIWJIPELAARR-HUUCEWRRSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCOCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433431 871552023 /nfs/dbraw/zinc/55/20/23/871552023.db2.gz UXARIHJZHUCOIY-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433431 871552041 /nfs/dbraw/zinc/55/20/41/871552041.db2.gz UXARIHJZHUCOIY-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205744795 871778097 /nfs/dbraw/zinc/77/80/97/871778097.db2.gz YRJDHMILAFLLEA-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCCC)CCO1 ZINC001319307009 872554485 /nfs/dbraw/zinc/55/44/85/872554485.db2.gz BBZNPRVEYCXYIE-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCCC)CCO1 ZINC001319307009 872554488 /nfs/dbraw/zinc/55/44/88/872554488.db2.gz BBZNPRVEYCXYIE-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCCC)CCO1 ZINC001319307009 872554498 /nfs/dbraw/zinc/55/44/98/872554498.db2.gz BBZNPRVEYCXYIE-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCCC)CCO1 ZINC001319307009 872554507 /nfs/dbraw/zinc/55/45/07/872554507.db2.gz BBZNPRVEYCXYIE-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208049644 873787840 /nfs/dbraw/zinc/78/78/40/873787840.db2.gz PHHZAXMTMCGMQR-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001378194566 874397588 /nfs/dbraw/zinc/39/75/88/874397588.db2.gz WKCRKIXFVRHMIH-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001378194566 874397605 /nfs/dbraw/zinc/39/76/05/874397605.db2.gz WKCRKIXFVRHMIH-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216388730 876930207 /nfs/dbraw/zinc/93/02/07/876930207.db2.gz WERPZIIVNPXACH-IIAWOOMASA-N 2 2 304.438 1.754 20 30 DDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218953472 877828214 /nfs/dbraw/zinc/82/82/14/877828214.db2.gz OGBMYPZQDIVGMO-UHFFFAOYSA-N 2 2 312.295 1.596 20 30 DDEDLP C#CC[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001357129975 879813514 /nfs/dbraw/zinc/81/35/14/879813514.db2.gz ULGUNQNACDOBOO-INIZCTEOSA-N 2 2 319.836 1.816 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228032057 883294727 /nfs/dbraw/zinc/29/47/27/883294727.db2.gz AURCSSWIVAAPFS-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001363215941 885735072 /nfs/dbraw/zinc/73/50/72/885735072.db2.gz LYGXVWWSOJEGSO-LSDHHAIUSA-N 2 2 302.422 1.729 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001363215941 885735082 /nfs/dbraw/zinc/73/50/82/885735082.db2.gz LYGXVWWSOJEGSO-LSDHHAIUSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001278078272 889587687 /nfs/dbraw/zinc/58/76/87/889587687.db2.gz UTNHRGIICOWMCZ-OAHLLOKOSA-N 2 2 316.405 1.289 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278369955 891720927 /nfs/dbraw/zinc/72/09/27/891720927.db2.gz BJPAYFQWDACUPC-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP N#Cc1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)nc1 ZINC001247869862 893444371 /nfs/dbraw/zinc/44/43/71/893444371.db2.gz YPCFCNGONVKDFW-CYBMUJFWSA-N 2 2 310.361 1.550 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366490076 893723025 /nfs/dbraw/zinc/72/30/25/893723025.db2.gz UJLYZRCYXDCFNW-SNVBAGLBSA-N 2 2 315.215 1.345 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278511882 893795099 /nfs/dbraw/zinc/79/50/99/893795099.db2.gz LVXSAUOXDVAGAN-YJBOKZPZSA-N 2 2 314.433 1.297 20 30 DDEDLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001367142253 895988524 /nfs/dbraw/zinc/98/85/24/895988524.db2.gz UJSVBCFOUGGXTJ-NSHDSACASA-N 2 2 317.418 1.570 20 30 DDEDLP O=C1C=C2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CCC2S1 ZINC001256690005 897542628 /nfs/dbraw/zinc/54/26/28/897542628.db2.gz DZSYRLVZLZBAHP-UYSNPLJNSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CCC2S1 ZINC001256690005 897542641 /nfs/dbraw/zinc/54/26/41/897542641.db2.gz DZSYRLVZLZBAHP-UYSNPLJNSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@H]2S1 ZINC001256690005 897542652 /nfs/dbraw/zinc/54/26/52/897542652.db2.gz DZSYRLVZLZBAHP-UYSNPLJNSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@H]2S1 ZINC001256690005 897542661 /nfs/dbraw/zinc/54/26/61/897542661.db2.gz DZSYRLVZLZBAHP-UYSNPLJNSA-N 2 2 322.474 1.904 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038853 897929153 /nfs/dbraw/zinc/92/91/53/897929153.db2.gz NVIODNXWALVIPI-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264520888 901167018 /nfs/dbraw/zinc/16/70/18/901167018.db2.gz QWFWTAMWWJLGTR-XJKSGUPXSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264712768 901304339 /nfs/dbraw/zinc/30/43/39/901304339.db2.gz LTCQCUSPPULKQU-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264712768 901304343 /nfs/dbraw/zinc/30/43/43/901304343.db2.gz LTCQCUSPPULKQU-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001392161685 903422198 /nfs/dbraw/zinc/42/21/98/903422198.db2.gz FLCOOCZCJRKHRC-CYBMUJFWSA-N 2 2 312.845 1.836 20 30 DDEDLP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263736 903568200 /nfs/dbraw/zinc/56/82/00/903568200.db2.gz LKNRMJKMAIEUQL-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001280411663 903645316 /nfs/dbraw/zinc/64/53/16/903645316.db2.gz CEEWCZBXZWZRLN-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001280411663 903645329 /nfs/dbraw/zinc/64/53/29/903645329.db2.gz CEEWCZBXZWZRLN-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001370906619 903962152 /nfs/dbraw/zinc/96/21/52/903962152.db2.gz WHKXKSVKBIGCPW-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001370906619 903962159 /nfs/dbraw/zinc/96/21/59/903962159.db2.gz WHKXKSVKBIGCPW-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@@H+](C)CCC)CO2 ZINC001280962222 904250622 /nfs/dbraw/zinc/25/06/22/904250622.db2.gz OZFHLULHQAGJFX-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CCC)CO2 ZINC001280962222 904250640 /nfs/dbraw/zinc/25/06/40/904250640.db2.gz OZFHLULHQAGJFX-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281852962 905266761 /nfs/dbraw/zinc/26/67/61/905266761.db2.gz HQLBRVXEMAWJBR-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281852962 905266774 /nfs/dbraw/zinc/26/67/74/905266774.db2.gz HQLBRVXEMAWJBR-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282149510 905581450 /nfs/dbraw/zinc/58/14/50/905581450.db2.gz WJTLLJKDISWLRM-STQMWFEESA-N 2 2 314.389 1.309 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]1C ZINC001283884643 908129669 /nfs/dbraw/zinc/12/96/69/908129669.db2.gz LVDLAKNUNJTOMZ-HIFRSBDPSA-N 2 2 301.390 1.235 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001284311996 908814198 /nfs/dbraw/zinc/81/41/98/908814198.db2.gz ZRXJCRIAAAGQJM-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001394116741 908858714 /nfs/dbraw/zinc/85/87/14/908858714.db2.gz NABAUCZFPZYVKQ-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001394116741 908858730 /nfs/dbraw/zinc/85/87/30/908858730.db2.gz NABAUCZFPZYVKQ-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001284603610 909240257 /nfs/dbraw/zinc/24/02/57/909240257.db2.gz JDFXWXBIMXXURD-GDBMZVCRSA-N 2 2 316.449 1.589 20 30 DDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001376833346 919524906 /nfs/dbraw/zinc/52/49/06/919524906.db2.gz ISCZTGKLTDEHAS-LLVKDONJSA-N 2 2 315.352 1.257 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278323957 214090059 /nfs/dbraw/zinc/09/00/59/214090059.db2.gz FGBLGMWCINWBFH-UHFFFAOYSA-N 2 2 313.243 1.923 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](CCCC(C)(C)C#N)CC2)cc[nH+]1 ZINC000330382860 529813023 /nfs/dbraw/zinc/81/30/23/529813023.db2.gz XPZOGQBZKSLDNX-UHFFFAOYSA-N 2 2 316.453 1.995 20 30 DDEDLP C=CC[NH+](CC=C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000052869118 352630021 /nfs/dbraw/zinc/63/00/21/352630021.db2.gz ZNQPFTTZNAMREO-INIZCTEOSA-N 2 2 309.454 1.133 20 30 DDEDLP C=CC[NH+](CC=C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000052869118 352630024 /nfs/dbraw/zinc/63/00/24/352630024.db2.gz ZNQPFTTZNAMREO-INIZCTEOSA-N 2 2 309.454 1.133 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634363 353686033 /nfs/dbraw/zinc/68/60/33/353686033.db2.gz CEZSYSOJAQQCDM-GOEBONIOSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634363 353686036 /nfs/dbraw/zinc/68/60/36/353686036.db2.gz CEZSYSOJAQQCDM-GOEBONIOSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634363 353686039 /nfs/dbraw/zinc/68/60/39/353686039.db2.gz CEZSYSOJAQQCDM-GOEBONIOSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634363 353686042 /nfs/dbraw/zinc/68/60/42/353686042.db2.gz CEZSYSOJAQQCDM-GOEBONIOSA-N 2 2 306.454 1.411 20 30 DDEDLP C[N@H+](CCC#N)C[C@@H](O)CNC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000581007783 354729590 /nfs/dbraw/zinc/72/95/90/354729590.db2.gz ZAEZSCLYLWXPMD-MSOLQXFVSA-N 2 2 322.497 1.579 20 30 DDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000581007783 354729591 /nfs/dbraw/zinc/72/95/91/354729591.db2.gz ZAEZSCLYLWXPMD-MSOLQXFVSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581007783 354729593 /nfs/dbraw/zinc/72/95/93/354729593.db2.gz ZAEZSCLYLWXPMD-MSOLQXFVSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000581007783 354729595 /nfs/dbraw/zinc/72/95/95/354729595.db2.gz ZAEZSCLYLWXPMD-MSOLQXFVSA-N 2 2 322.497 1.579 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000592524152 355612069 /nfs/dbraw/zinc/61/20/69/355612069.db2.gz KFFPIIFZSOCACY-MRXNPFEDSA-N 2 2 317.437 1.880 20 30 DDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000597942734 357392918 /nfs/dbraw/zinc/39/29/18/357392918.db2.gz MPTQZVMVBPNJFJ-ZDUSSCGKSA-N 2 2 318.421 1.266 20 30 DDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000597942734 357392920 /nfs/dbraw/zinc/39/29/20/357392920.db2.gz MPTQZVMVBPNJFJ-ZDUSSCGKSA-N 2 2 318.421 1.266 20 30 DDEDLP C[NH+](C)[C@@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCSC1 ZINC000329606063 223001456 /nfs/dbraw/zinc/00/14/56/223001456.db2.gz MIKHESULLWITKT-CQSZACIVSA-N 2 2 309.439 1.050 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600726298 358298101 /nfs/dbraw/zinc/29/81/01/358298101.db2.gz SFIBBBWUEFSEKG-SJORKVTESA-N 2 2 317.433 1.762 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000600758796 358309433 /nfs/dbraw/zinc/30/94/33/358309433.db2.gz WSJSWKUSFVGSAU-SJORKVTESA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCOCC1 ZINC000600758796 358309435 /nfs/dbraw/zinc/30/94/35/358309435.db2.gz WSJSWKUSFVGSAU-SJORKVTESA-N 2 2 321.465 1.664 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000602604171 359068275 /nfs/dbraw/zinc/06/82/75/359068275.db2.gz XZPIBFZRZGRYNM-KBPBESRZSA-N 2 2 303.410 1.441 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000602675954 359119097 /nfs/dbraw/zinc/11/90/97/359119097.db2.gz XODLWEGESUJACS-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000602675954 359119099 /nfs/dbraw/zinc/11/90/99/359119099.db2.gz XODLWEGESUJACS-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP CN(C)c1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c[nH+]1 ZINC000331188111 223191980 /nfs/dbraw/zinc/19/19/80/223191980.db2.gz VKFDTBHLPGMEFN-AWEZNQCLSA-N 2 2 305.426 1.445 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331278162 223199059 /nfs/dbraw/zinc/19/90/59/223199059.db2.gz DJZFXNSJLJUATB-WLYUNCDWSA-N 2 2 307.442 1.896 20 30 DDEDLP C=CC[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000625701255 367099205 /nfs/dbraw/zinc/09/92/05/367099205.db2.gz OHWRQQOGFKXRQH-OAHLLOKOSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(CC)c2)CC1 ZINC001120501224 781987924 /nfs/dbraw/zinc/98/79/24/781987924.db2.gz UWBWYDSYGRCVHU-GOSISDBHSA-N 2 2 316.445 1.676 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@H+](CC)CCO)cc1OC ZINC000274356248 408376439 /nfs/dbraw/zinc/37/64/39/408376439.db2.gz CBNCJEZEDPYLMW-UHFFFAOYSA-N 2 2 308.422 1.664 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+](CC)CCO)cc1OC ZINC000274356248 408376441 /nfs/dbraw/zinc/37/64/41/408376441.db2.gz CBNCJEZEDPYLMW-UHFFFAOYSA-N 2 2 308.422 1.664 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C#N ZINC000269692226 408394512 /nfs/dbraw/zinc/39/45/12/408394512.db2.gz IWVFIZCYHPHQSW-UHFFFAOYSA-N 2 2 317.433 1.845 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C#N ZINC000269692226 408394515 /nfs/dbraw/zinc/39/45/15/408394515.db2.gz IWVFIZCYHPHQSW-UHFFFAOYSA-N 2 2 317.433 1.845 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320457428 409902675 /nfs/dbraw/zinc/90/26/75/409902675.db2.gz YUXJZFFQDWDTEM-IXDOHACOSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320457428 409902682 /nfs/dbraw/zinc/90/26/82/409902682.db2.gz YUXJZFFQDWDTEM-IXDOHACOSA-N 2 2 315.417 1.514 20 30 DDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000332746951 410250488 /nfs/dbraw/zinc/25/04/88/410250488.db2.gz LUERZRUXYZONJW-IAGOWNOFSA-N 2 2 304.438 1.213 20 30 DDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000332746951 410250495 /nfs/dbraw/zinc/25/04/95/410250495.db2.gz LUERZRUXYZONJW-IAGOWNOFSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000332746951 410250500 /nfs/dbraw/zinc/25/05/00/410250500.db2.gz LUERZRUXYZONJW-IAGOWNOFSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000332746951 410250508 /nfs/dbraw/zinc/25/05/08/410250508.db2.gz LUERZRUXYZONJW-IAGOWNOFSA-N 2 2 304.438 1.213 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359326014 410604768 /nfs/dbraw/zinc/60/47/68/410604768.db2.gz WIKVZPXBLOGAHL-KKUMJFAQSA-N 2 2 319.474 1.802 20 30 DDEDLP C=CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370957 422987255 /nfs/dbraw/zinc/98/72/55/422987255.db2.gz YIJPZRQPOFYHTQ-AWEZNQCLSA-N 2 2 308.470 1.666 20 30 DDEDLP C=CC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370957 422987257 /nfs/dbraw/zinc/98/72/57/422987257.db2.gz YIJPZRQPOFYHTQ-AWEZNQCLSA-N 2 2 308.470 1.666 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246952150 222225470 /nfs/dbraw/zinc/22/54/70/222225470.db2.gz REIQSIGLDJRDQD-IRXDYDNUSA-N 2 2 323.481 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246952150 222225472 /nfs/dbraw/zinc/22/54/72/222225472.db2.gz REIQSIGLDJRDQD-IRXDYDNUSA-N 2 2 323.481 1.454 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250279582 222242412 /nfs/dbraw/zinc/24/24/12/222242412.db2.gz CDACIIZMSSJJKX-IAGOWNOFSA-N 2 2 305.466 1.568 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250279582 222242415 /nfs/dbraw/zinc/24/24/15/222242415.db2.gz CDACIIZMSSJJKX-IAGOWNOFSA-N 2 2 305.466 1.568 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261947487 222263840 /nfs/dbraw/zinc/26/38/40/222263840.db2.gz GHTWLVASYGCWID-CQSZACIVSA-N 2 2 314.393 1.007 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264153274 222326103 /nfs/dbraw/zinc/32/61/03/222326103.db2.gz ZSXOHMKLDWZLMM-HOCLYGCPSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264153274 222326106 /nfs/dbraw/zinc/32/61/06/222326106.db2.gz ZSXOHMKLDWZLMM-HOCLYGCPSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264234585 222328957 /nfs/dbraw/zinc/32/89/57/222328957.db2.gz DBCSDMKCHSJNSC-CQSZACIVSA-N 3 2 304.442 1.108 20 30 DDEDLP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262659109 222288857 /nfs/dbraw/zinc/28/88/57/222288857.db2.gz MMLFDYXBXNMTHA-GJZGRUSLSA-N 2 2 301.438 1.134 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc(F)ccc1F ZINC000263184271 222305450 /nfs/dbraw/zinc/30/54/50/222305450.db2.gz URBOLFLOWSTPSE-TXEJJXNPSA-N 2 2 310.348 1.555 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc(F)ccc1F ZINC000263184271 222305452 /nfs/dbraw/zinc/30/54/52/222305452.db2.gz URBOLFLOWSTPSE-TXEJJXNPSA-N 2 2 310.348 1.555 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1=O ZINC000375607668 418661199 /nfs/dbraw/zinc/66/11/99/418661199.db2.gz NLKOAEDTOSKXKJ-VQHPVUNQSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1=O ZINC000375607668 418661200 /nfs/dbraw/zinc/66/12/00/418661200.db2.gz NLKOAEDTOSKXKJ-VQHPVUNQSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000362376863 418753066 /nfs/dbraw/zinc/75/30/66/418753066.db2.gz SFAGCXBZQFXIKO-UHFFFAOYSA-N 2 2 319.474 1.873 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000362376863 418753069 /nfs/dbraw/zinc/75/30/69/418753069.db2.gz SFAGCXBZQFXIKO-UHFFFAOYSA-N 2 2 319.474 1.873 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415406 418765649 /nfs/dbraw/zinc/76/56/49/418765649.db2.gz WDNOYCXZTXVKPW-HPFXQQBRSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415406 418765651 /nfs/dbraw/zinc/76/56/51/418765651.db2.gz WDNOYCXZTXVKPW-HPFXQQBRSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415406 418765652 /nfs/dbraw/zinc/76/56/52/418765652.db2.gz WDNOYCXZTXVKPW-HPFXQQBRSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415406 418765653 /nfs/dbraw/zinc/76/56/53/418765653.db2.gz WDNOYCXZTXVKPW-HPFXQQBRSA-N 2 2 318.465 1.457 20 30 DDEDLP Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1C#N ZINC000365082350 418836841 /nfs/dbraw/zinc/83/68/41/418836841.db2.gz DHQRODAROCAHLF-NVXWUHKLSA-N 2 2 302.422 1.487 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424183276 420313117 /nfs/dbraw/zinc/31/31/17/420313117.db2.gz VEFMEQCSHPNNRH-KBPBESRZSA-N 2 2 303.410 1.222 20 30 DDEDLP C=C[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000489495454 421159233 /nfs/dbraw/zinc/15/92/33/421159233.db2.gz JHLYGCTZAMLVBU-DLBZAZTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000489495454 421159235 /nfs/dbraw/zinc/15/92/35/421159235.db2.gz JHLYGCTZAMLVBU-DLBZAZTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000489495454 421159237 /nfs/dbraw/zinc/15/92/37/421159237.db2.gz JHLYGCTZAMLVBU-DLBZAZTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000489495454 421159239 /nfs/dbraw/zinc/15/92/39/421159239.db2.gz JHLYGCTZAMLVBU-DLBZAZTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450366109 421189808 /nfs/dbraw/zinc/18/98/08/421189808.db2.gz SMNOKSMLOUOMCJ-UAGQMJEPSA-N 2 2 321.465 1.204 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450366109 421189810 /nfs/dbraw/zinc/18/98/10/421189810.db2.gz SMNOKSMLOUOMCJ-UAGQMJEPSA-N 2 2 321.465 1.204 20 30 DDEDLP CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563365996 421492311 /nfs/dbraw/zinc/49/23/11/421492311.db2.gz OQPBJOLIOPIFQB-GJZGRUSLSA-N 2 2 315.421 1.401 20 30 DDEDLP C=CCCO[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194580 422321135 /nfs/dbraw/zinc/32/11/35/422321135.db2.gz KATDLRNQIGJCOM-CQSZACIVSA-N 2 2 318.421 1.753 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673439 424730961 /nfs/dbraw/zinc/73/09/61/424730961.db2.gz KXFYXYKIJYSEOQ-WBVHZDCISA-N 2 2 309.454 1.158 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662658343 424725030 /nfs/dbraw/zinc/72/50/30/424725030.db2.gz DNLWCZXFSKZYAU-KRWDZBQOSA-N 2 2 300.406 1.429 20 30 DDEDLP C=CC[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]1 ZINC000662850686 424788798 /nfs/dbraw/zinc/78/87/98/424788798.db2.gz SPVWCZKMAXLQOC-SFHVURJKSA-N 2 2 314.433 1.996 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526055674 333057918 /nfs/dbraw/zinc/05/79/18/333057918.db2.gz JZGKSMPWLAFROV-HZPDHXFCSA-N 2 2 318.465 1.888 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526055674 333057920 /nfs/dbraw/zinc/05/79/20/333057920.db2.gz JZGKSMPWLAFROV-HZPDHXFCSA-N 2 2 318.465 1.888 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000525886451 335141838 /nfs/dbraw/zinc/14/18/38/335141838.db2.gz XAYQXQDESDEFRR-UHFFFAOYSA-N 2 2 313.405 1.520 20 30 DDEDLP C(#CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000375351651 337008849 /nfs/dbraw/zinc/00/88/49/337008849.db2.gz DUPJETGRAFIRDR-WNRNVDISSA-N 2 2 304.434 1.496 20 30 DDEDLP C(#CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000375351651 337008850 /nfs/dbraw/zinc/00/88/50/337008850.db2.gz DUPJETGRAFIRDR-WNRNVDISSA-N 2 2 304.434 1.496 20 30 DDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000583869215 337362562 /nfs/dbraw/zinc/36/25/62/337362562.db2.gz BRGYSMIDTQLCEA-CABCVRRESA-N 2 2 311.389 1.647 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247264234 341362883 /nfs/dbraw/zinc/36/28/83/341362883.db2.gz VOWBENPTYXFIHQ-PMPSAXMXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247264234 341362884 /nfs/dbraw/zinc/36/28/84/341362884.db2.gz VOWBENPTYXFIHQ-PMPSAXMXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247264234 341362885 /nfs/dbraw/zinc/36/28/85/341362885.db2.gz VOWBENPTYXFIHQ-PMPSAXMXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247264234 341362886 /nfs/dbraw/zinc/36/28/86/341362886.db2.gz VOWBENPTYXFIHQ-PMPSAXMXSA-N 2 2 308.470 1.657 20 30 DDEDLP CNC(=O)[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000329623122 526406177 /nfs/dbraw/zinc/40/61/77/526406177.db2.gz USPXTOWHGUVBGL-HNNXBMFYSA-N 2 2 315.377 1.363 20 30 DDEDLP CNC(=O)[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000329623122 526406181 /nfs/dbraw/zinc/40/61/81/526406181.db2.gz USPXTOWHGUVBGL-HNNXBMFYSA-N 2 2 315.377 1.363 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCc2ccccc2)CC1 ZINC000490875404 526948684 /nfs/dbraw/zinc/94/86/84/526948684.db2.gz PYRIGEYUHVQINZ-UHFFFAOYSA-N 2 2 313.445 1.328 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCc2ccccc2)CC1 ZINC000490875404 526948688 /nfs/dbraw/zinc/94/86/88/526948688.db2.gz PYRIGEYUHVQINZ-UHFFFAOYSA-N 2 2 313.445 1.328 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000491715538 526949673 /nfs/dbraw/zinc/94/96/73/526949673.db2.gz QBTCAKSDSXBFFM-ZDUSSCGKSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000491715538 526949678 /nfs/dbraw/zinc/94/96/78/526949678.db2.gz QBTCAKSDSXBFFM-ZDUSSCGKSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000491747721 526982749 /nfs/dbraw/zinc/98/27/49/526982749.db2.gz NKXSKOKHBJNNEH-KRWDZBQOSA-N 2 2 301.434 1.581 20 30 DDEDLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330940844 527558424 /nfs/dbraw/zinc/55/84/24/527558424.db2.gz CPGQKVNBJUQBBJ-CYBMUJFWSA-N 2 2 320.393 1.363 20 30 DDEDLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330940844 527558429 /nfs/dbraw/zinc/55/84/29/527558429.db2.gz CPGQKVNBJUQBBJ-CYBMUJFWSA-N 2 2 320.393 1.363 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720837 529059434 /nfs/dbraw/zinc/05/94/34/529059434.db2.gz MWXSFGLVXMBUIF-CHWSQXEVSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720837 529059435 /nfs/dbraw/zinc/05/94/35/529059435.db2.gz MWXSFGLVXMBUIF-CHWSQXEVSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720837 529059439 /nfs/dbraw/zinc/05/94/39/529059439.db2.gz MWXSFGLVXMBUIF-CHWSQXEVSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720837 529059440 /nfs/dbraw/zinc/05/94/40/529059440.db2.gz MWXSFGLVXMBUIF-CHWSQXEVSA-N 2 2 305.426 1.597 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980209558 696708378 /nfs/dbraw/zinc/70/83/78/696708378.db2.gz SFXWATBUOPJZHK-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980209558 696708380 /nfs/dbraw/zinc/70/83/80/696708380.db2.gz SFXWATBUOPJZHK-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978357320 696370122 /nfs/dbraw/zinc/37/01/22/696370122.db2.gz GNPZMSKUQOUTKW-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978357320 696370124 /nfs/dbraw/zinc/37/01/24/696370124.db2.gz GNPZMSKUQOUTKW-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980180039 696701521 /nfs/dbraw/zinc/70/15/21/696701521.db2.gz ASAFMSOJGULVJK-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980180039 696701524 /nfs/dbraw/zinc/70/15/24/696701524.db2.gz ASAFMSOJGULVJK-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957398 696984094 /nfs/dbraw/zinc/98/40/94/696984094.db2.gz KLILKBKPVYRKFL-QGZVFWFLSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957398 696984097 /nfs/dbraw/zinc/98/40/97/696984097.db2.gz KLILKBKPVYRKFL-QGZVFWFLSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957398 696984099 /nfs/dbraw/zinc/98/40/99/696984099.db2.gz KLILKBKPVYRKFL-QGZVFWFLSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957398 696984102 /nfs/dbraw/zinc/98/41/02/696984102.db2.gz KLILKBKPVYRKFL-QGZVFWFLSA-N 2 2 309.429 1.366 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118067 697034777 /nfs/dbraw/zinc/03/47/77/697034777.db2.gz GILPFJLAGMJITR-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118067 697034779 /nfs/dbraw/zinc/03/47/79/697034779.db2.gz GILPFJLAGMJITR-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160119613 697315043 /nfs/dbraw/zinc/31/50/43/697315043.db2.gz JYGCCTMYRACAHL-HOTGVXAUSA-N 3 2 320.485 1.682 20 30 DDEDLP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160119613 697315046 /nfs/dbraw/zinc/31/50/46/697315046.db2.gz JYGCCTMYRACAHL-HOTGVXAUSA-N 3 2 320.485 1.682 20 30 DDEDLP CCC(CC)[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCOCC1 ZINC000303784048 698607196 /nfs/dbraw/zinc/60/71/96/698607196.db2.gz OYCVUIGMWPILJR-MRXNPFEDSA-N 2 2 310.486 1.828 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000811933293 702087520 /nfs/dbraw/zinc/08/75/20/702087520.db2.gz JRBXMTAQTKYUHK-AWEZNQCLSA-N 2 2 309.479 1.028 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000811933293 702087530 /nfs/dbraw/zinc/08/75/30/702087530.db2.gz JRBXMTAQTKYUHK-AWEZNQCLSA-N 2 2 309.479 1.028 20 30 DDEDLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866279452 706662926 /nfs/dbraw/zinc/66/29/26/706662926.db2.gz UEVCAPGOJBZELN-CQSZACIVSA-N 2 2 316.449 1.940 20 30 DDEDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866342473 706677458 /nfs/dbraw/zinc/67/74/58/706677458.db2.gz SGUIXMVJVFQKRX-GJZGRUSLSA-N 2 2 316.449 1.940 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000843780553 702922616 /nfs/dbraw/zinc/92/26/16/702922616.db2.gz FWOLOPLIHIJJOQ-HNNXBMFYSA-N 2 2 302.422 1.564 20 30 DDEDLP C#CCNC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844330009 703015865 /nfs/dbraw/zinc/01/58/65/703015865.db2.gz SBCGRPIRBVWPKX-OAHLLOKOSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844330009 703015867 /nfs/dbraw/zinc/01/58/67/703015867.db2.gz SBCGRPIRBVWPKX-OAHLLOKOSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844330009 703015859 /nfs/dbraw/zinc/01/58/59/703015859.db2.gz SBCGRPIRBVWPKX-OAHLLOKOSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844330009 703015862 /nfs/dbraw/zinc/01/58/62/703015862.db2.gz SBCGRPIRBVWPKX-OAHLLOKOSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824609656 705492914 /nfs/dbraw/zinc/49/29/14/705492914.db2.gz CHGGYULFDGZOSD-UHFFFAOYSA-N 2 2 323.400 1.229 20 30 DDEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727736 706507390 /nfs/dbraw/zinc/50/73/90/706507390.db2.gz GNFPQWGEYRRSTL-OAHLLOKOSA-N 2 2 316.405 1.392 20 30 DDEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727736 706507393 /nfs/dbraw/zinc/50/73/93/706507393.db2.gz GNFPQWGEYRRSTL-OAHLLOKOSA-N 2 2 316.405 1.392 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886226363 708719098 /nfs/dbraw/zinc/71/90/98/708719098.db2.gz LSPREUFJFGUMCS-HNNXBMFYSA-N 2 2 309.454 1.256 20 30 DDEDLP N#CC1CCC(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000930073345 713749821 /nfs/dbraw/zinc/74/98/21/713749821.db2.gz ZITPLMANXMDYCV-DQPZFDDXSA-N 2 2 318.465 1.730 20 30 DDEDLP N#CC1CCC(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000930073345 713749823 /nfs/dbraw/zinc/74/98/23/713749823.db2.gz ZITPLMANXMDYCV-DQPZFDDXSA-N 2 2 318.465 1.730 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398977 714341998 /nfs/dbraw/zinc/34/19/98/714341998.db2.gz PBLSWWZJENICDL-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923398977 714342002 /nfs/dbraw/zinc/34/20/02/714342002.db2.gz PBLSWWZJENICDL-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000923581254 714415158 /nfs/dbraw/zinc/41/51/58/714415158.db2.gz BENPFMQULXHWNH-SFHVURJKSA-N 2 2 322.412 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000923581254 714415159 /nfs/dbraw/zinc/41/51/59/714415159.db2.gz BENPFMQULXHWNH-SFHVURJKSA-N 2 2 322.412 1.759 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC000924034953 714511809 /nfs/dbraw/zinc/51/18/09/714511809.db2.gz GOFGNRYVNLWGCF-OAHLLOKOSA-N 2 2 315.421 1.199 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC000924034953 714511811 /nfs/dbraw/zinc/51/18/11/714511811.db2.gz GOFGNRYVNLWGCF-OAHLLOKOSA-N 2 2 315.421 1.199 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850720 716992289 /nfs/dbraw/zinc/99/22/89/716992289.db2.gz MBLNRGUGPXOUHL-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850720 716992292 /nfs/dbraw/zinc/99/22/92/716992292.db2.gz MBLNRGUGPXOUHL-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402549 718872396 /nfs/dbraw/zinc/87/23/96/718872396.db2.gz SPIXYNHMJBAVFO-HOCLYGCPSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402549 718872402 /nfs/dbraw/zinc/87/24/02/718872402.db2.gz SPIXYNHMJBAVFO-HOCLYGCPSA-N 2 2 314.433 1.222 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461087 719599708 /nfs/dbraw/zinc/59/97/08/719599708.db2.gz ZYRMFJSTPVMZPD-SJORKVTESA-N 2 2 305.466 1.568 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021572571 733328490 /nfs/dbraw/zinc/32/84/90/733328490.db2.gz AYVBHUDBNICNDL-HZPDHXFCSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021572571 733328494 /nfs/dbraw/zinc/32/84/94/733328494.db2.gz AYVBHUDBNICNDL-HZPDHXFCSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701730 733465522 /nfs/dbraw/zinc/46/55/22/733465522.db2.gz BXHLNPBDGOSQCD-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701730 733465523 /nfs/dbraw/zinc/46/55/23/733465523.db2.gz BXHLNPBDGOSQCD-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203159446 735728386 /nfs/dbraw/zinc/72/83/86/735728386.db2.gz HLTXPYSLNONTEJ-JKSUJKDBSA-N 2 2 322.412 1.988 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007703711 736779377 /nfs/dbraw/zinc/77/93/77/736779377.db2.gz IPTNDRNNHDHZPJ-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007703711 736779378 /nfs/dbraw/zinc/77/93/78/736779378.db2.gz IPTNDRNNHDHZPJ-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001027091256 738051627 /nfs/dbraw/zinc/05/16/27/738051627.db2.gz IHZFLSNZJYIGOC-INIZCTEOSA-N 2 2 323.400 1.462 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001027245983 738126305 /nfs/dbraw/zinc/12/63/05/738126305.db2.gz LJVYQDSVGCHLIF-KRWDZBQOSA-N 2 2 323.400 1.393 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035388090 751457849 /nfs/dbraw/zinc/45/78/49/751457849.db2.gz AXDVRVVADGOYET-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035388090 751457850 /nfs/dbraw/zinc/45/78/50/751457850.db2.gz AXDVRVVADGOYET-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035388090 751457852 /nfs/dbraw/zinc/45/78/52/751457852.db2.gz AXDVRVVADGOYET-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035388090 751457853 /nfs/dbraw/zinc/45/78/53/751457853.db2.gz AXDVRVVADGOYET-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571214 740658482 /nfs/dbraw/zinc/65/84/82/740658482.db2.gz ILUPUZBZUSAGRR-JKSUJKDBSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571214 740658483 /nfs/dbraw/zinc/65/84/83/740658483.db2.gz ILUPUZBZUSAGRR-JKSUJKDBSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704846 740711220 /nfs/dbraw/zinc/71/12/20/740711220.db2.gz KOZXPOIILWRZHQ-LSDHHAIUSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704846 740711222 /nfs/dbraw/zinc/71/12/22/740711222.db2.gz KOZXPOIILWRZHQ-LSDHHAIUSA-N 2 2 303.406 1.557 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001037988636 751629555 /nfs/dbraw/zinc/62/95/55/751629555.db2.gz AXQYHQXBHHSJKI-KGLIPLIRSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075906877 741890351 /nfs/dbraw/zinc/89/03/51/741890351.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075906877 741890354 /nfs/dbraw/zinc/89/03/54/741890354.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075906877 741890358 /nfs/dbraw/zinc/89/03/58/741890358.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075906877 741890362 /nfs/dbraw/zinc/89/03/62/741890362.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621124 742018203 /nfs/dbraw/zinc/01/82/03/742018203.db2.gz RDGMMWKKOSZJEB-QLFBSQMISA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621124 742018208 /nfs/dbraw/zinc/01/82/08/742018208.db2.gz RDGMMWKKOSZJEB-QLFBSQMISA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678181 742070214 /nfs/dbraw/zinc/07/02/14/742070214.db2.gz JKAJVTIXBNLYHK-KFWWJZLASA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040236645 742137230 /nfs/dbraw/zinc/13/72/30/742137230.db2.gz OEHZPGWKNAJVAK-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040236645 742137233 /nfs/dbraw/zinc/13/72/33/742137233.db2.gz OEHZPGWKNAJVAK-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236645 742137236 /nfs/dbraw/zinc/13/72/36/742137236.db2.gz OEHZPGWKNAJVAK-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236645 742137240 /nfs/dbraw/zinc/13/72/40/742137240.db2.gz OEHZPGWKNAJVAK-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967742 742289370 /nfs/dbraw/zinc/28/93/70/742289370.db2.gz UEXIRNXFWHSVAB-OWCLPIDISA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967742 742289373 /nfs/dbraw/zinc/28/93/73/742289373.db2.gz UEXIRNXFWHSVAB-OWCLPIDISA-N 2 2 314.433 1.554 20 30 DDEDLP C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829117 743914781 /nfs/dbraw/zinc/91/47/81/743914781.db2.gz IBAIGTMYPJJAIA-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829117 743914784 /nfs/dbraw/zinc/91/47/84/743914784.db2.gz IBAIGTMYPJJAIA-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185503207 744238642 /nfs/dbraw/zinc/23/86/42/744238642.db2.gz PSGZDUBTFAKDGY-LSDHHAIUSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522749 744575290 /nfs/dbraw/zinc/57/52/90/744575290.db2.gz PPZBREKBMYUQOM-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016547 744601991 /nfs/dbraw/zinc/60/19/91/744601991.db2.gz YBENPAVKJQMHDZ-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016547 744601992 /nfs/dbraw/zinc/60/19/92/744601992.db2.gz YBENPAVKJQMHDZ-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016547 744601993 /nfs/dbraw/zinc/60/19/93/744601993.db2.gz YBENPAVKJQMHDZ-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016547 744601994 /nfs/dbraw/zinc/60/19/94/744601994.db2.gz YBENPAVKJQMHDZ-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992818119 745220412 /nfs/dbraw/zinc/22/04/12/745220412.db2.gz HNHHEMCVXUWOBT-CWRNSKLLSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818874 745339553 /nfs/dbraw/zinc/33/95/53/745339553.db2.gz SWEYCPPJYXDMEC-JKSUJKDBSA-N 2 2 302.422 1.636 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818874 745339558 /nfs/dbraw/zinc/33/95/58/745339558.db2.gz SWEYCPPJYXDMEC-JKSUJKDBSA-N 2 2 302.422 1.636 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106274153 745512494 /nfs/dbraw/zinc/51/24/94/745512494.db2.gz DXVLRNYHWANKKM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106274153 745512496 /nfs/dbraw/zinc/51/24/96/745512496.db2.gz DXVLRNYHWANKKM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778133 745888217 /nfs/dbraw/zinc/88/82/17/745888217.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778133 745888223 /nfs/dbraw/zinc/88/82/23/745888223.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778133 745888226 /nfs/dbraw/zinc/88/82/26/745888226.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778133 745888233 /nfs/dbraw/zinc/88/82/33/745888233.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 2 320.437 1.324 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535128 746197296 /nfs/dbraw/zinc/19/72/96/746197296.db2.gz AAZCUHGWGRHLPD-PBHICJAKSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535128 746197310 /nfs/dbraw/zinc/19/73/10/746197310.db2.gz AAZCUHGWGRHLPD-PBHICJAKSA-N 2 2 310.401 1.940 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994407310 746641361 /nfs/dbraw/zinc/64/13/61/746641361.db2.gz LAOCMRZXXLUPFR-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C 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DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212681 748947573 /nfs/dbraw/zinc/94/75/73/748947573.db2.gz VBNDUADGASPSGB-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213327 748950441 /nfs/dbraw/zinc/95/04/41/748950441.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213327 748950446 /nfs/dbraw/zinc/95/04/46/748950446.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213327 748950449 /nfs/dbraw/zinc/95/04/49/748950449.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213327 748950453 /nfs/dbraw/zinc/95/04/53/748950453.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C 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1.051 20 30 DDEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245313 751327019 /nfs/dbraw/zinc/32/70/19/751327019.db2.gz MMPNICZDIAQTPA-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245313 751327025 /nfs/dbraw/zinc/32/70/25/751327025.db2.gz MMPNICZDIAQTPA-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421567 762136986 /nfs/dbraw/zinc/13/69/86/762136986.db2.gz OYZCHTUMHJXPQM-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421567 762136992 /nfs/dbraw/zinc/13/69/92/762136992.db2.gz OYZCHTUMHJXPQM-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000999426247 752905549 /nfs/dbraw/zinc/90/55/49/752905549.db2.gz OHXMTGNDTJGSKX-NWINJMCUSA-N 2 2 322.840 1.855 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078777041 754375623 /nfs/dbraw/zinc/37/56/23/754375623.db2.gz RDQDARFYKAQMHD-HUUCEWRRSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038625073 754385065 /nfs/dbraw/zinc/38/50/65/754385065.db2.gz UXULWPJZHNQDRV-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038625073 754385069 /nfs/dbraw/zinc/38/50/69/754385069.db2.gz UXULWPJZHNQDRV-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625073 754385076 /nfs/dbraw/zinc/38/50/76/754385076.db2.gz UXULWPJZHNQDRV-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625073 754385083 /nfs/dbraw/zinc/38/50/83/754385083.db2.gz UXULWPJZHNQDRV-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001014774713 755934557 /nfs/dbraw/zinc/93/45/57/755934557.db2.gz HCKKYGZBRPFTTA-STQMWFEESA-N 2 2 317.355 1.227 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001014774713 755934560 /nfs/dbraw/zinc/93/45/60/755934560.db2.gz HCKKYGZBRPFTTA-STQMWFEESA-N 2 2 317.355 1.227 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001014774713 755934562 /nfs/dbraw/zinc/93/45/62/755934562.db2.gz HCKKYGZBRPFTTA-STQMWFEESA-N 2 2 317.355 1.227 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001014774713 755934566 /nfs/dbraw/zinc/93/45/66/755934566.db2.gz HCKKYGZBRPFTTA-STQMWFEESA-N 2 2 317.355 1.227 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014777775 755936937 /nfs/dbraw/zinc/93/69/37/755936937.db2.gz AXQFFVIPKPSSKS-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014777775 755936941 /nfs/dbraw/zinc/93/69/41/755936941.db2.gz AXQFFVIPKPSSKS-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014777775 755936946 /nfs/dbraw/zinc/93/69/46/755936946.db2.gz AXQFFVIPKPSSKS-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014777775 755936951 /nfs/dbraw/zinc/93/69/51/755936951.db2.gz AXQFFVIPKPSSKS-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001015285108 756215982 /nfs/dbraw/zinc/21/59/82/756215982.db2.gz DADPXWYLKLZSOT-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015285108 756215986 /nfs/dbraw/zinc/21/59/86/756215986.db2.gz DADPXWYLKLZSOT-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016623578 757213567 /nfs/dbraw/zinc/21/35/67/757213567.db2.gz FGYQMHDQWIWZGM-INIZCTEOSA-N 2 2 322.412 1.860 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139948 762583612 /nfs/dbraw/zinc/58/36/12/762583612.db2.gz UHZZWBIPKFLGLA-CQSZACIVSA-N 2 2 300.406 1.764 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139948 762583617 /nfs/dbraw/zinc/58/36/17/762583617.db2.gz UHZZWBIPKFLGLA-CQSZACIVSA-N 2 2 300.406 1.764 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779616 757907217 /nfs/dbraw/zinc/90/72/17/757907217.db2.gz QFVPCFVLRVJIPD-CZUORRHYSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779616 757907222 /nfs/dbraw/zinc/90/72/22/757907222.db2.gz QFVPCFVLRVJIPD-CZUORRHYSA-N 2 2 300.406 1.480 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001152991 762597480 /nfs/dbraw/zinc/59/74/80/762597480.db2.gz VBVCMAAUKOVPML-WFASDCNBSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001152991 762597484 /nfs/dbraw/zinc/59/74/84/762597484.db2.gz VBVCMAAUKOVPML-WFASDCNBSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001152991 762597487 /nfs/dbraw/zinc/59/74/87/762597487.db2.gz VBVCMAAUKOVPML-WFASDCNBSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001152991 762597490 /nfs/dbraw/zinc/59/74/90/762597490.db2.gz VBVCMAAUKOVPML-WFASDCNBSA-N 2 2 311.857 1.685 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)O2 ZINC001053606394 758626410 /nfs/dbraw/zinc/62/64/10/758626410.db2.gz SKGDTCZYLORVAU-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)O2 ZINC001053606394 758626414 /nfs/dbraw/zinc/62/64/14/758626414.db2.gz SKGDTCZYLORVAU-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001053807114 758835975 /nfs/dbraw/zinc/83/59/75/758835975.db2.gz AKOBPXZWOVZNCQ-OWCLPIDISA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001053807114 758835982 /nfs/dbraw/zinc/83/59/82/758835982.db2.gz AKOBPXZWOVZNCQ-OWCLPIDISA-N 2 2 321.465 1.252 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001018782962 759255390 /nfs/dbraw/zinc/25/53/90/759255390.db2.gz HJXXRCJKFRXWJK-INIZCTEOSA-N 2 2 323.400 1.605 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680176 759993786 /nfs/dbraw/zinc/99/37/86/759993786.db2.gz AGMWEEYDRHKLOH-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680176 759993795 /nfs/dbraw/zinc/99/37/95/759993795.db2.gz AGMWEEYDRHKLOH-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001054791067 760087187 /nfs/dbraw/zinc/08/71/87/760087187.db2.gz MVFMSMLXSQFLHU-UKRRQHHQSA-N 2 2 304.438 1.939 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816730 760298453 /nfs/dbraw/zinc/29/84/53/760298453.db2.gz FJFWRXVSFAAPRU-CVEARBPZSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816730 760298456 /nfs/dbraw/zinc/29/84/56/760298456.db2.gz FJFWRXVSFAAPRU-CVEARBPZSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038686135 761287382 /nfs/dbraw/zinc/28/73/82/761287382.db2.gz ZMLFSKQYSPBGRA-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001038686135 761287386 /nfs/dbraw/zinc/28/73/86/761287386.db2.gz ZMLFSKQYSPBGRA-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001541534 762946102 /nfs/dbraw/zinc/94/61/02/762946102.db2.gz KIIHYKNKJDOZKA-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733367 763268799 /nfs/dbraw/zinc/26/87/99/763268799.db2.gz UOEXBZGMCLVTFM-RHSMWYFYSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733367 763268806 /nfs/dbraw/zinc/26/88/06/763268806.db2.gz UOEXBZGMCLVTFM-RHSMWYFYSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733367 763268809 /nfs/dbraw/zinc/26/88/09/763268809.db2.gz UOEXBZGMCLVTFM-RHSMWYFYSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733367 763268816 /nfs/dbraw/zinc/26/88/16/763268816.db2.gz UOEXBZGMCLVTFM-RHSMWYFYSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786995 763329157 /nfs/dbraw/zinc/32/91/57/763329157.db2.gz LLEMWFOKHSXSHM-GOSISDBHSA-N 2 2 314.433 1.635 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786995 763329166 /nfs/dbraw/zinc/32/91/66/763329166.db2.gz LLEMWFOKHSXSHM-GOSISDBHSA-N 2 2 314.433 1.635 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832595 763384139 /nfs/dbraw/zinc/38/41/39/763384139.db2.gz CISADOIJLBQYEG-INIZCTEOSA-N 2 2 322.840 1.868 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832595 763384146 /nfs/dbraw/zinc/38/41/46/763384146.db2.gz CISADOIJLBQYEG-INIZCTEOSA-N 2 2 322.840 1.868 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042163236 763730273 /nfs/dbraw/zinc/73/02/73/763730273.db2.gz QOELSPPAQPAHOP-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042163236 763730279 /nfs/dbraw/zinc/73/02/79/763730279.db2.gz QOELSPPAQPAHOP-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313889 763902682 /nfs/dbraw/zinc/90/26/82/763902682.db2.gz KSTVRIWKXYJTAB-HUUCEWRRSA-N 2 2 314.433 1.633 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313889 763902690 /nfs/dbraw/zinc/90/26/90/763902690.db2.gz 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C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC=C ZINC001045797675 766594536 /nfs/dbraw/zinc/59/45/36/766594536.db2.gz UZHPUWJORWZOFW-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C ZINC001045797675 766594544 /nfs/dbraw/zinc/59/45/44/766594544.db2.gz UZHPUWJORWZOFW-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001045797675 766594549 /nfs/dbraw/zinc/59/45/49/766594549.db2.gz UZHPUWJORWZOFW-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001045797675 766594551 /nfs/dbraw/zinc/59/45/51/766594551.db2.gz UZHPUWJORWZOFW-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979854 766757665 /nfs/dbraw/zinc/75/76/65/766757665.db2.gz KOJGPWQSZRNENV-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979854 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078960 775652829 /nfs/dbraw/zinc/65/28/29/775652829.db2.gz RFJLMZBISZMOOG-KBPBESRZSA-N 2 2 317.861 1.022 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441321 776159896 /nfs/dbraw/zinc/15/98/96/776159896.db2.gz MBODMOIHVUKWDW-UHFFFAOYSA-N 2 2 302.422 1.434 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577535 776350926 /nfs/dbraw/zinc/35/09/26/776350926.db2.gz SXZGKFPQGCVNGM-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456094 778150427 /nfs/dbraw/zinc/15/04/27/778150427.db2.gz IWICCDGKWUYDFF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456094 778150429 /nfs/dbraw/zinc/15/04/29/778150429.db2.gz IWICCDGKWUYDFF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456094 778150430 /nfs/dbraw/zinc/15/04/30/778150430.db2.gz IWICCDGKWUYDFF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456094 778150431 /nfs/dbraw/zinc/15/04/31/778150431.db2.gz IWICCDGKWUYDFF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452007 778874086 /nfs/dbraw/zinc/87/40/86/778874086.db2.gz HHKRCFCZJVRVOK-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452007 778874092 /nfs/dbraw/zinc/87/40/92/778874092.db2.gz HHKRCFCZJVRVOK-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179018923 779248515 /nfs/dbraw/zinc/24/85/15/779248515.db2.gz OFXPSVHSLHRASQ-JYJNAYRXSA-N 2 2 316.449 1.991 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179022941 779249956 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XKEHIQKCLOJBOM-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267280286 837734518 /nfs/dbraw/zinc/73/45/18/837734518.db2.gz SRNSFEDKXSSMRB-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267280286 837734523 /nfs/dbraw/zinc/73/45/23/837734523.db2.gz SRNSFEDKXSSMRB-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001267504837 838203617 /nfs/dbraw/zinc/20/36/17/838203617.db2.gz YULNDTCOFZWJEE-HNNXBMFYSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001267504837 838203626 /nfs/dbraw/zinc/20/36/26/838203626.db2.gz YULNDTCOFZWJEE-HNNXBMFYSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585753 838369382 /nfs/dbraw/zinc/36/93/82/838369382.db2.gz BUBNKKYCBGLPAS-HUUCEWRRSA-N 2 2 302.422 1.412 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585753 838369396 /nfs/dbraw/zinc/36/93/96/838369396.db2.gz BUBNKKYCBGLPAS-HUUCEWRRSA-N 2 2 302.422 1.412 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001267726806 838756145 /nfs/dbraw/zinc/75/61/45/838756145.db2.gz DDLMVCSLHAMYFC-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001267726806 838756152 /nfs/dbraw/zinc/75/61/52/838756152.db2.gz DDLMVCSLHAMYFC-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267730852 838770987 /nfs/dbraw/zinc/77/09/87/838770987.db2.gz DACGPQKUVSSTGO-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267730852 838770993 /nfs/dbraw/zinc/77/09/93/838770993.db2.gz DACGPQKUVSSTGO-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268768115 840772999 /nfs/dbraw/zinc/77/29/99/840772999.db2.gz VJXRBZFQGHYPOR-GDBMZVCRSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268768115 840773006 /nfs/dbraw/zinc/77/30/06/840773006.db2.gz VJXRBZFQGHYPOR-GDBMZVCRSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270228770 842404364 /nfs/dbraw/zinc/40/43/64/842404364.db2.gz PQFISIQCPRJTDJ-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001326386850 861323059 /nfs/dbraw/zinc/32/30/59/861323059.db2.gz LMLRFBGIJZJHPV-INIZCTEOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001270761113 842881244 /nfs/dbraw/zinc/88/12/44/842881244.db2.gz UELYGDIYNTWFCI-KRWDZBQOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001271278967 843464788 /nfs/dbraw/zinc/46/47/88/843464788.db2.gz VFPJPAQWYYADNL-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272701651 846666842 /nfs/dbraw/zinc/66/68/42/846666842.db2.gz KLPOJCVSMNIJNR-UHFFFAOYSA-N 2 2 323.481 1.598 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997039326 847178132 /nfs/dbraw/zinc/17/81/32/847178132.db2.gz BVTBGFLLCIIUDR-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000997057037 847233258 /nfs/dbraw/zinc/23/32/58/847233258.db2.gz ZUVLOAPGZYPQOD-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273106134 847918868 /nfs/dbraw/zinc/91/88/68/847918868.db2.gz KHOPFEKNYDMMRJ-AWEZNQCLSA-N 2 2 300.406 1.097 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260862 848187834 /nfs/dbraw/zinc/18/78/34/848187834.db2.gz PVAQYSPGAYDWGO-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260862 848187851 /nfs/dbraw/zinc/18/78/51/848187851.db2.gz PVAQYSPGAYDWGO-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275031 848224562 /nfs/dbraw/zinc/22/45/62/848224562.db2.gz YJINDNLQTYBCBS-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275031 848224569 /nfs/dbraw/zinc/22/45/69/848224569.db2.gz YJINDNLQTYBCBS-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149882054 861961337 /nfs/dbraw/zinc/96/13/37/861961337.db2.gz XUWACQUBQIRGOZ-OAHLLOKOSA-N 2 2 320.437 1.320 20 30 DDEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149882054 861961342 /nfs/dbraw/zinc/96/13/42/861961342.db2.gz XUWACQUBQIRGOZ-OAHLLOKOSA-N 2 2 320.437 1.320 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(NCc3nnn4c3C[NH2+]CCC4)c12 ZINC001155398068 862042969 /nfs/dbraw/zinc/04/29/69/862042969.db2.gz UAOQCYVDQREKQX-UHFFFAOYSA-N 2 2 308.349 1.131 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371142 862200862 /nfs/dbraw/zinc/20/08/62/862200862.db2.gz GNEZRULUSUJLBG-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371142 862200878 /nfs/dbraw/zinc/20/08/78/862200878.db2.gz GNEZRULUSUJLBG-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827880 851393560 /nfs/dbraw/zinc/39/35/60/851393560.db2.gz XTJZSXVUTUVAAZ-GOSISDBHSA-N 2 2 319.449 1.498 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827880 851393567 /nfs/dbraw/zinc/39/35/67/851393567.db2.gz XTJZSXVUTUVAAZ-GOSISDBHSA-N 2 2 319.449 1.498 20 30 DDEDLP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275279945 852950431 /nfs/dbraw/zinc/95/04/31/852950431.db2.gz CXHDIPHHMOCHNL-RDJZCZTQSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275279945 852950435 /nfs/dbraw/zinc/95/04/35/852950435.db2.gz CXHDIPHHMOCHNL-RDJZCZTQSA-N 2 2 323.481 1.690 20 30 DDEDLP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275684516 853564489 /nfs/dbraw/zinc/56/44/89/853564489.db2.gz CRFIQHNKVQBWHG-OAHLLOKOSA-N 2 2 316.449 1.543 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001275805573 853792547 /nfs/dbraw/zinc/79/25/47/853792547.db2.gz KZJQPLUKGGKZEK-HOCLYGCPSA-N 2 2 304.438 1.803 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001276003841 854130630 /nfs/dbraw/zinc/13/06/30/854130630.db2.gz URFSAELLTYOQMB-INIZCTEOSA-N 2 2 324.428 1.680 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001276003841 854130636 /nfs/dbraw/zinc/13/06/36/854130636.db2.gz URFSAELLTYOQMB-INIZCTEOSA-N 2 2 324.428 1.680 20 30 DDEDLP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328003994 862627872 /nfs/dbraw/zinc/62/78/72/862627872.db2.gz KPANPOINLIVWDA-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049558195 856973708 /nfs/dbraw/zinc/97/37/08/856973708.db2.gz NSQBMCMCIRAIJU-ARFHVFGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049558195 856973711 /nfs/dbraw/zinc/97/37/11/856973711.db2.gz NSQBMCMCIRAIJU-ARFHVFGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049557372 856974446 /nfs/dbraw/zinc/97/44/46/856974446.db2.gz GQQFPHZXKVCKSJ-ARFHVFGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049557372 856974453 /nfs/dbraw/zinc/97/44/53/856974453.db2.gz GQQFPHZXKVCKSJ-ARFHVFGLSA-N 2 2 314.433 1.697 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864488 857814934 /nfs/dbraw/zinc/81/49/34/857814934.db2.gz HOAKUJZXKFRVBA-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864488 857814941 /nfs/dbraw/zinc/81/49/41/857814941.db2.gz HOAKUJZXKFRVBA-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864926 857817535 /nfs/dbraw/zinc/81/75/35/857817535.db2.gz WSTFLJPDOCQFMN-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864926 857817537 /nfs/dbraw/zinc/81/75/37/857817537.db2.gz WSTFLJPDOCQFMN-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001329472967 863685278 /nfs/dbraw/zinc/68/52/78/863685278.db2.gz VXOZUXZUCQVBNJ-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001329472967 863685282 /nfs/dbraw/zinc/68/52/82/863685282.db2.gz VXOZUXZUCQVBNJ-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092060 864401821 /nfs/dbraw/zinc/40/18/21/864401821.db2.gz BLIZHRCBRABUID-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092060 864401833 /nfs/dbraw/zinc/40/18/33/864401833.db2.gz BLIZHRCBRABUID-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP N#Cc1cc2nc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)ccc2[nH]1 ZINC001158266173 864527031 /nfs/dbraw/zinc/52/70/31/864527031.db2.gz ARVNQKLUGDPLJE-LBPRGKRZSA-N 2 2 310.405 1.436 20 30 DDEDLP N#Cc1cc2nc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)ccc2[nH]1 ZINC001158266173 864527039 /nfs/dbraw/zinc/52/70/39/864527039.db2.gz ARVNQKLUGDPLJE-LBPRGKRZSA-N 2 2 310.405 1.436 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001331333159 865016609 /nfs/dbraw/zinc/01/66/09/865016609.db2.gz KUGBYKWXDGVMPP-XJKSGUPXSA-N 2 2 302.422 1.438 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001331333159 865016614 /nfs/dbraw/zinc/01/66/14/865016614.db2.gz KUGBYKWXDGVMPP-XJKSGUPXSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543450 865925538 /nfs/dbraw/zinc/92/55/38/865925538.db2.gz ALDGPIYHNNRRLG-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001160543450 865925544 /nfs/dbraw/zinc/92/55/44/865925544.db2.gz ALDGPIYHNNRRLG-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332827159 866171592 /nfs/dbraw/zinc/17/15/92/866171592.db2.gz SUMKUSLHMVTORO-HOCLYGCPSA-N 2 2 316.449 1.589 20 30 DDEDLP O=C(N1CCC(C#Cc2ccccc2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161150435 866411904 /nfs/dbraw/zinc/41/19/04/866411904.db2.gz IKLXZSICYOQMMM-UYAOXDASSA-N 2 2 323.440 1.228 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001324248886 867162404 /nfs/dbraw/zinc/16/24/04/867162404.db2.gz DVFBMGBWZPEBGJ-INIZCTEOSA-N 2 2 312.417 1.952 20 30 DDEDLP C=CCO[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332191 868117927 /nfs/dbraw/zinc/11/79/27/868117927.db2.gz AAGGKDICBLNJBE-DOTOQJQBSA-N 2 2 321.421 1.137 20 30 DDEDLP C=CCO[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332191 868117932 /nfs/dbraw/zinc/11/79/32/868117932.db2.gz AAGGKDICBLNJBE-DOTOQJQBSA-N 2 2 321.421 1.137 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001325694177 868259998 /nfs/dbraw/zinc/25/99/98/868259998.db2.gz SYSPSLRBXFCTDD-IAGOWNOFSA-N 2 2 322.412 1.765 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001325694177 868260011 /nfs/dbraw/zinc/26/00/11/868260011.db2.gz SYSPSLRBXFCTDD-IAGOWNOFSA-N 2 2 322.412 1.765 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163274750 868295615 /nfs/dbraw/zinc/29/56/15/868295615.db2.gz FOOADDKPRHRZJO-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163274750 868295630 /nfs/dbraw/zinc/29/56/30/868295630.db2.gz FOOADDKPRHRZJO-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001163593604 868553304 /nfs/dbraw/zinc/55/33/04/868553304.db2.gz NAGWPIULKKLCSL-UHFFFAOYSA-N 2 2 311.389 1.441 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203661427 870698539 /nfs/dbraw/zinc/69/85/39/870698539.db2.gz VDPRCDFQNHNACD-LSDHHAIUSA-N 2 2 300.406 1.301 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001317428513 870817529 /nfs/dbraw/zinc/81/75/29/870817529.db2.gz WFGWTLUAPARBGI-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001317428513 870817545 /nfs/dbraw/zinc/81/75/45/870817545.db2.gz WFGWTLUAPARBGI-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316682528 871041153 /nfs/dbraw/zinc/04/11/53/871041153.db2.gz YVWJJMSBGNSFQY-NVXWUHKLSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316682528 871041165 /nfs/dbraw/zinc/04/11/65/871041165.db2.gz YVWJJMSBGNSFQY-NVXWUHKLSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317685920 871407679 /nfs/dbraw/zinc/40/76/79/871407679.db2.gz MKBICWAXQVAUQR-LSDHHAIUSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317685920 871407691 /nfs/dbraw/zinc/40/76/91/871407691.db2.gz MKBICWAXQVAUQR-LSDHHAIUSA-N 2 2 316.449 1.828 20 30 DDEDLP Cn1c[nH+]cc1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC001308166719 871475006 /nfs/dbraw/zinc/47/50/06/871475006.db2.gz BSCWPHKAMBBBNX-UHFFFAOYSA-N 2 2 301.394 1.162 20 30 DDEDLP C=CCN1CC[NH+](CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001317824259 871549929 /nfs/dbraw/zinc/54/99/29/871549929.db2.gz MXQJIZPHQLBVGG-UHFFFAOYSA-N 2 2 322.497 1.124 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853434 871594101 /nfs/dbraw/zinc/59/41/01/871594101.db2.gz LATPULHOJUTHRR-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853434 871594111 /nfs/dbraw/zinc/59/41/11/871594111.db2.gz LATPULHOJUTHRR-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853434 871594127 /nfs/dbraw/zinc/59/41/27/871594127.db2.gz LATPULHOJUTHRR-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853434 871594142 /nfs/dbraw/zinc/59/41/42/871594142.db2.gz LATPULHOJUTHRR-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001316874777 872188643 /nfs/dbraw/zinc/18/86/43/872188643.db2.gz DCWVNEXNDFJUFY-HOTGVXAUSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316880703 872196417 /nfs/dbraw/zinc/19/64/17/872196417.db2.gz NLDSBAJMILUWHD-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001318714076 872222942 /nfs/dbraw/zinc/22/29/42/872222942.db2.gz OVOPCCUZPLKFDG-RKVPGOIHSA-N 2 2 316.449 1.974 20 30 DDEDLP C#C[C@@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001206837064 872635495 /nfs/dbraw/zinc/63/54/95/872635495.db2.gz BNWJLHHRTNYFNR-LBPRGKRZSA-N 2 2 312.316 1.153 20 30 DDEDLP C[NH+](C)Cc1cnc(C[NH2+]CCNc2ncccc2C#N)s1 ZINC001345400634 873389973 /nfs/dbraw/zinc/38/99/73/873389973.db2.gz NKWXZSPBYGBWHE-UHFFFAOYSA-N 2 2 316.434 1.673 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC001346110137 873615538 /nfs/dbraw/zinc/61/55/38/873615538.db2.gz OBEHFGKCXUQCGZ-QGZVFWFLSA-N 2 2 318.417 1.424 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208440003 874143669 /nfs/dbraw/zinc/14/36/69/874143669.db2.gz XFGPVNVGRPIAFA-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499841 875955862 /nfs/dbraw/zinc/95/58/62/875955862.db2.gz CTGQXQWLRBXAGC-BZUAXINKSA-N 2 2 320.437 1.616 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499841 875955865 /nfs/dbraw/zinc/95/58/65/875955865.db2.gz CTGQXQWLRBXAGC-BZUAXINKSA-N 2 2 320.437 1.616 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213559662 875980667 /nfs/dbraw/zinc/98/06/67/875980667.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213559662 875980669 /nfs/dbraw/zinc/98/06/69/875980669.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213559662 875980679 /nfs/dbraw/zinc/98/06/79/875980679.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213559662 875980688 /nfs/dbraw/zinc/98/06/88/875980688.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218953278 877827745 /nfs/dbraw/zinc/82/77/45/877827745.db2.gz KXIJVOBIMLTXNM-LLVKDONJSA-N 2 2 323.278 1.809 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067489 877898375 /nfs/dbraw/zinc/89/83/75/877898375.db2.gz UXVHULYVFVFQCX-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067489 877898387 /nfs/dbraw/zinc/89/83/87/877898387.db2.gz UXVHULYVFVFQCX-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220663839 879169170 /nfs/dbraw/zinc/16/91/70/879169170.db2.gz OWQOGWHXZUAWPO-SUNYJGFJSA-N 2 2 315.417 1.380 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228528587 883538300 /nfs/dbraw/zinc/53/83/00/883538300.db2.gz GNHIZTLWWAROCN-RRFJBIMHSA-N 2 2 314.433 1.870 20 30 DDEDLP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001277325336 883646400 /nfs/dbraw/zinc/64/64/00/883646400.db2.gz ZMUFXXKNJZQZDN-MQVJKMGUSA-N 2 2 314.433 1.786 20 30 DDEDLP C[N@H+](CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1)C1CCC1 ZINC001277388037 883986567 /nfs/dbraw/zinc/98/65/67/883986567.db2.gz DSPNFPQVOGYCRK-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C[N@@H+](CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1)C1CCC1 ZINC001277388037 883986572 /nfs/dbraw/zinc/98/65/72/883986572.db2.gz DSPNFPQVOGYCRK-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)C1CCC1 ZINC001277388037 883986576 /nfs/dbraw/zinc/98/65/76/883986576.db2.gz DSPNFPQVOGYCRK-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)C1CCC1 ZINC001277388037 883986579 /nfs/dbraw/zinc/98/65/79/883986579.db2.gz DSPNFPQVOGYCRK-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277863426 888064505 /nfs/dbraw/zinc/06/45/05/888064505.db2.gz PAOAKERPXAPMGU-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751620 889836235 /nfs/dbraw/zinc/83/62/35/889836235.db2.gz NJDHDVLOGTVNPI-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751620 889836242 /nfs/dbraw/zinc/83/62/42/889836242.db2.gz NJDHDVLOGTVNPI-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C=CCCCCCC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019808 892340910 /nfs/dbraw/zinc/34/09/10/892340910.db2.gz AMBMMHOEGISLGQ-BZSNNMDCSA-N 2 2 309.498 1.900 20 30 DDEDLP FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159381 892453318 /nfs/dbraw/zinc/45/33/18/892453318.db2.gz PAKXSOKUCPOYIY-ZETCQYMHSA-N 2 2 323.256 1.503 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001279102500 898208908 /nfs/dbraw/zinc/20/89/08/898208908.db2.gz HALXRLUUQRKPRN-YOEHRIQHSA-N 2 2 324.428 1.964 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001368104841 898706756 /nfs/dbraw/zinc/70/67/56/898706756.db2.gz XMMHDCUODFMJQK-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823354 900737517 /nfs/dbraw/zinc/73/75/17/900737517.db2.gz LJOGSGXUAHQXNA-QGZVFWFLSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823354 900737533 /nfs/dbraw/zinc/73/75/33/900737533.db2.gz LJOGSGXUAHQXNA-QGZVFWFLSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001263823354 900737547 /nfs/dbraw/zinc/73/75/47/900737547.db2.gz LJOGSGXUAHQXNA-QGZVFWFLSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001263823354 900737559 /nfs/dbraw/zinc/73/75/59/900737559.db2.gz LJOGSGXUAHQXNA-QGZVFWFLSA-N 2 2 301.434 1.837 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001264520308 901165378 /nfs/dbraw/zinc/16/53/78/901165378.db2.gz JSDSKOWXOUNBBY-HOCLYGCPSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265615591 902205531 /nfs/dbraw/zinc/20/55/31/902205531.db2.gz KZTDNIXGOGDILE-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001265649434 902250519 /nfs/dbraw/zinc/25/05/19/902250519.db2.gz RCHAHUIDFHYCKF-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001265649434 902250534 /nfs/dbraw/zinc/25/05/34/902250534.db2.gz RCHAHUIDFHYCKF-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001279318806 903220686 /nfs/dbraw/zinc/22/06/86/903220686.db2.gz QXCFYHRYXOFEDC-UHFFFAOYSA-N 2 2 310.401 1.594 20 30 DDEDLP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001282677750 905941044 /nfs/dbraw/zinc/94/10/44/905941044.db2.gz GTJJFSOEWAMFLC-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001282677750 905941072 /nfs/dbraw/zinc/94/10/72/905941072.db2.gz GTJJFSOEWAMFLC-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283510499 907501391 /nfs/dbraw/zinc/50/13/91/907501391.db2.gz ZWWCJOOJNBLSBX-DOTOQJQBSA-N 2 2 314.433 1.295 20 30 DDEDLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001393984217 908456660 /nfs/dbraw/zinc/45/66/60/908456660.db2.gz LWKJXABBGAAXJL-STQMWFEESA-N 2 2 311.389 1.507 20 30 DDEDLP C=C(Cl)C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001377536698 922261548 /nfs/dbraw/zinc/26/15/48/922261548.db2.gz YWITYACMNXUKAT-UHFFFAOYSA-N 2 2 311.857 1.948 20 30 DDEDLP C=C(Cl)C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001377536698 922261556 /nfs/dbraw/zinc/26/15/56/922261556.db2.gz YWITYACMNXUKAT-UHFFFAOYSA-N 2 2 311.857 1.948 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+]C[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291693 529810450 /nfs/dbraw/zinc/81/04/50/529810450.db2.gz GSGGTBNGGFFIIY-PBHICJAKSA-N 2 2 317.437 1.387 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+]C[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291693 529810451 /nfs/dbraw/zinc/81/04/51/529810451.db2.gz GSGGTBNGGFFIIY-PBHICJAKSA-N 2 2 317.437 1.387 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757173 529965093 /nfs/dbraw/zinc/96/50/93/529965093.db2.gz ZEEMRWCLDPHIKE-QWHCGFSZSA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757173 529965095 /nfs/dbraw/zinc/96/50/95/529965095.db2.gz ZEEMRWCLDPHIKE-QWHCGFSZSA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757173 529965096 /nfs/dbraw/zinc/96/50/96/529965096.db2.gz ZEEMRWCLDPHIKE-QWHCGFSZSA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757173 529965098 /nfs/dbraw/zinc/96/50/98/529965098.db2.gz ZEEMRWCLDPHIKE-QWHCGFSZSA-N 2 2 305.426 1.455 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000075531728 353366622 /nfs/dbraw/zinc/36/66/22/353366622.db2.gz LZXXLWBRDYCBOL-OAHLLOKOSA-N 2 2 300.406 1.461 20 30 DDEDLP C=CCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000617763695 363295684 /nfs/dbraw/zinc/29/56/84/363295684.db2.gz XUUMCQZLEBNPMN-UHFFFAOYSA-N 2 2 311.470 1.359 20 30 DDEDLP C=CCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000617763695 363295688 /nfs/dbraw/zinc/29/56/88/363295688.db2.gz XUUMCQZLEBNPMN-UHFFFAOYSA-N 2 2 311.470 1.359 20 30 DDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000591770601 355382012 /nfs/dbraw/zinc/38/20/12/355382012.db2.gz RNEFRAWHASTMIO-IOASZLSFSA-N 2 2 321.396 1.257 20 30 DDEDLP N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591664633 355357123 /nfs/dbraw/zinc/35/71/23/355357123.db2.gz MFWXRBILNJRFBK-ZACQAIPSSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000591664633 355357126 /nfs/dbraw/zinc/35/71/26/355357126.db2.gz MFWXRBILNJRFBK-ZACQAIPSSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000602550341 359040634 /nfs/dbraw/zinc/04/06/34/359040634.db2.gz AQORBNWHYYQVDG-AWEZNQCLSA-N 2 2 300.406 1.544 20 30 DDEDLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000602989440 359340937 /nfs/dbraw/zinc/34/09/37/359340937.db2.gz PAYWDZYRBHXFJX-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000602989440 359340940 /nfs/dbraw/zinc/34/09/40/359340940.db2.gz PAYWDZYRBHXFJX-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000187074628 200057274 /nfs/dbraw/zinc/05/72/74/200057274.db2.gz OJKRSGHLEWJBKM-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000611551076 360756134 /nfs/dbraw/zinc/75/61/34/360756134.db2.gz HKOIWPQHJPPBBB-QGZVFWFLSA-N 2 2 313.380 1.905 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(C#N)c1 ZINC000193251485 201012915 /nfs/dbraw/zinc/01/29/15/201012915.db2.gz IWPYUNLUJXDMLQ-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(C#N)c1 ZINC000193251485 201012918 /nfs/dbraw/zinc/01/29/18/201012918.db2.gz IWPYUNLUJXDMLQ-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP COCC[NH+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331316680 532961695 /nfs/dbraw/zinc/96/16/95/532961695.db2.gz JJLATBQOFIFHAY-UHFFFAOYSA-N 2 2 306.410 1.816 20 30 DDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888724 304252340 /nfs/dbraw/zinc/25/23/40/304252340.db2.gz PGZAFTIZLKJMDU-KRWDZBQOSA-N 2 2 310.405 1.519 20 30 DDEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888724 304252341 /nfs/dbraw/zinc/25/23/41/304252341.db2.gz PGZAFTIZLKJMDU-KRWDZBQOSA-N 2 2 310.405 1.519 20 30 DDEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888724 304252342 /nfs/dbraw/zinc/25/23/42/304252342.db2.gz PGZAFTIZLKJMDU-KRWDZBQOSA-N 2 2 310.405 1.519 20 30 DDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888724 304252344 /nfs/dbraw/zinc/25/23/44/304252344.db2.gz PGZAFTIZLKJMDU-KRWDZBQOSA-N 2 2 310.405 1.519 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129188439 407594878 /nfs/dbraw/zinc/59/48/78/407594878.db2.gz JSOIYHSAQXTNOW-MRXNPFEDSA-N 2 2 309.454 1.065 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129188439 407594887 /nfs/dbraw/zinc/59/48/87/407594887.db2.gz JSOIYHSAQXTNOW-MRXNPFEDSA-N 2 2 309.454 1.065 20 30 DDEDLP COc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000262560846 407864587 /nfs/dbraw/zinc/86/45/87/407864587.db2.gz VKRGUYAKNOHTBL-INIZCTEOSA-N 2 2 300.406 1.046 20 30 DDEDLP C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181030577 407949842 /nfs/dbraw/zinc/94/98/42/407949842.db2.gz OFQVOALQSXKDNW-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292233989 409006198 /nfs/dbraw/zinc/00/61/98/409006198.db2.gz WDSPAXBJPULHRH-RDTXWAMCSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292233989 409006199 /nfs/dbraw/zinc/00/61/99/409006199.db2.gz WDSPAXBJPULHRH-RDTXWAMCSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292233989 409006202 /nfs/dbraw/zinc/00/62/02/409006202.db2.gz WDSPAXBJPULHRH-RDTXWAMCSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292233989 409006204 /nfs/dbraw/zinc/00/62/04/409006204.db2.gz WDSPAXBJPULHRH-RDTXWAMCSA-N 2 2 312.417 1.913 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000290037522 409291641 /nfs/dbraw/zinc/29/16/41/409291641.db2.gz NTISJDTZMVTXIS-SFHVURJKSA-N 2 2 311.429 1.406 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000290037522 409291643 /nfs/dbraw/zinc/29/16/43/409291643.db2.gz NTISJDTZMVTXIS-SFHVURJKSA-N 2 2 311.429 1.406 20 30 DDEDLP C[C@@H]1COC(C)(C)C[NH+]1CC#CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000342132139 409563804 /nfs/dbraw/zinc/56/38/04/409563804.db2.gz QCIADWJWRVQYKH-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1COC(C)(C)C[NH+]1CC#CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000342132139 409563814 /nfs/dbraw/zinc/56/38/14/409563814.db2.gz QCIADWJWRVQYKH-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1COC(C)(C)C[N@H+]1CC#CC[NH+]1CC(C)(C)OC[C@@H]1C ZINC000342132139 409563821 /nfs/dbraw/zinc/56/38/21/409563821.db2.gz QCIADWJWRVQYKH-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1COC(C)(C)C[N@@H+]1CC#CC[NH+]1CC(C)(C)OC[C@@H]1C ZINC000342132139 409563829 /nfs/dbraw/zinc/56/38/29/409563829.db2.gz QCIADWJWRVQYKH-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[N@H+](CCOc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000357650613 410160020 /nfs/dbraw/zinc/16/00/20/410160020.db2.gz QDUKVBBASPPOAA-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP C[N@@H+](CCOc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000357650613 410160026 /nfs/dbraw/zinc/16/00/26/410160026.db2.gz QDUKVBBASPPOAA-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+]1CCC(CNC(=O)c2cncnc2)([NH+]2CCCCC2)CC1 ZINC000329498998 410329095 /nfs/dbraw/zinc/32/90/95/410329095.db2.gz GXVKEUZOCNPAOI-UHFFFAOYSA-N 2 2 317.437 1.732 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330184511 410576867 /nfs/dbraw/zinc/57/68/67/410576867.db2.gz IOAOYKIQNLMERY-CABCVRRESA-N 2 2 317.437 1.672 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330284724 410610895 /nfs/dbraw/zinc/61/08/95/410610895.db2.gz XXDUCRGTYHRSRE-AWEZNQCLSA-N 2 2 305.426 1.528 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330284724 410610904 /nfs/dbraw/zinc/61/09/04/410610904.db2.gz XXDUCRGTYHRSRE-AWEZNQCLSA-N 2 2 305.426 1.528 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1=O ZINC000361026765 418569104 /nfs/dbraw/zinc/56/91/04/418569104.db2.gz JSNWOPCCEKVISI-CQSZACIVSA-N 2 2 313.361 1.166 20 30 DDEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369241609 418730854 /nfs/dbraw/zinc/73/08/54/418730854.db2.gz GVUVEHDGSLQZPU-KRWDZBQOSA-N 2 2 304.438 1.864 20 30 DDEDLP CN(C)c1nc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc[nH+]1 ZINC000407988775 418780981 /nfs/dbraw/zinc/78/09/81/418780981.db2.gz FILNDHPOGCBQSE-UONOGXRCSA-N 2 2 300.410 1.357 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144252 418929625 /nfs/dbraw/zinc/92/96/25/418929625.db2.gz ZNABDMVWZBBKGU-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144252 418929626 /nfs/dbraw/zinc/92/96/26/418929626.db2.gz ZNABDMVWZBBKGU-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144252 418929627 /nfs/dbraw/zinc/92/96/27/418929627.db2.gz ZNABDMVWZBBKGU-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144252 418929628 /nfs/dbraw/zinc/92/96/28/418929628.db2.gz ZNABDMVWZBBKGU-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000425529346 420410034 /nfs/dbraw/zinc/41/00/34/420410034.db2.gz BFPFSKIQGARFGE-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000425529346 420410038 /nfs/dbraw/zinc/41/00/38/420410038.db2.gz BFPFSKIQGARFGE-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000491750410 421202563 /nfs/dbraw/zinc/20/25/63/421202563.db2.gz RUVSBDJQNVGSNM-UHFFFAOYSA-N 2 2 305.466 1.762 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000527377966 421383609 /nfs/dbraw/zinc/38/36/09/421383609.db2.gz ORIUPIODINYBIB-OAHLLOKOSA-N 2 2 304.438 1.499 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000527377966 421383611 /nfs/dbraw/zinc/38/36/11/421383611.db2.gz ORIUPIODINYBIB-OAHLLOKOSA-N 2 2 304.438 1.499 20 30 DDEDLP Cn1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000540606253 421766024 /nfs/dbraw/zinc/76/60/24/421766024.db2.gz FQELDXTUFJEISX-UHFFFAOYSA-N 2 2 324.432 1.483 20 30 DDEDLP CC#CC[NH2+]Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641038391 423341156 /nfs/dbraw/zinc/34/11/56/423341156.db2.gz GRFFILSLNSDUAZ-UHFFFAOYSA-N 2 2 320.400 1.684 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644549062 423700079 /nfs/dbraw/zinc/70/00/79/423700079.db2.gz LDPLEZFZTYRFFX-LJQANCHMSA-N 3 2 317.477 1.719 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644549062 423700085 /nfs/dbraw/zinc/70/00/85/423700085.db2.gz LDPLEZFZTYRFFX-LJQANCHMSA-N 3 2 317.477 1.719 20 30 DDEDLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579430 267068780 /nfs/dbraw/zinc/06/87/80/267068780.db2.gz BLXNOEULUUZYOW-YJBOKZPZSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579430 267068782 /nfs/dbraw/zinc/06/87/82/267068782.db2.gz BLXNOEULUUZYOW-YJBOKZPZSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579430 267068783 /nfs/dbraw/zinc/06/87/83/267068783.db2.gz BLXNOEULUUZYOW-YJBOKZPZSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579430 267068785 /nfs/dbraw/zinc/06/87/85/267068785.db2.gz BLXNOEULUUZYOW-YJBOKZPZSA-N 2 2 319.449 1.880 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664843 268076305 /nfs/dbraw/zinc/07/63/05/268076305.db2.gz YRUOBSKSPGWXLA-SFHVURJKSA-N 2 2 314.433 1.054 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342611417 268212279 /nfs/dbraw/zinc/21/22/79/268212279.db2.gz XRHYFFVLPJYLAU-OAHLLOKOSA-N 2 2 309.373 1.687 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428205 279214521 /nfs/dbraw/zinc/21/45/21/279214521.db2.gz PEOJRGWZQHHRAK-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428205 279214523 /nfs/dbraw/zinc/21/45/23/279214523.db2.gz PEOJRGWZQHHRAK-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428205 279214524 /nfs/dbraw/zinc/21/45/24/279214524.db2.gz PEOJRGWZQHHRAK-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428205 279214526 /nfs/dbraw/zinc/21/45/26/279214526.db2.gz PEOJRGWZQHHRAK-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000527048400 336281051 /nfs/dbraw/zinc/28/10/51/336281051.db2.gz HLZGAJRNNGOQIM-ZDUSSCGKSA-N 2 2 301.394 1.471 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000491538031 526947154 /nfs/dbraw/zinc/94/71/54/526947154.db2.gz WHZBCJABRFAJAM-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000491538031 526947156 /nfs/dbraw/zinc/94/71/56/526947156.db2.gz WHZBCJABRFAJAM-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)CCSCC)CC1 ZINC000490853893 526948908 /nfs/dbraw/zinc/94/89/08/526948908.db2.gz VLRCVYRRLHTKGU-OAHLLOKOSA-N 2 2 311.495 1.227 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)CCSCC)CC1 ZINC000490853893 526948913 /nfs/dbraw/zinc/94/89/13/526948913.db2.gz VLRCVYRRLHTKGU-OAHLLOKOSA-N 2 2 311.495 1.227 20 30 DDEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000491664552 527276156 /nfs/dbraw/zinc/27/61/56/527276156.db2.gz HPQAHZOTXOKKNI-OAHLLOKOSA-N 2 2 308.470 1.360 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000332708605 527936402 /nfs/dbraw/zinc/93/64/02/527936402.db2.gz OOEGNDCBDFLAPZ-RYRKJORJSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000332708605 527936408 /nfs/dbraw/zinc/93/64/08/527936408.db2.gz OOEGNDCBDFLAPZ-RYRKJORJSA-N 2 2 320.481 1.847 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980229028 696713339 /nfs/dbraw/zinc/71/33/39/696713339.db2.gz NHOJFNMWJPEAJT-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980229028 696713340 /nfs/dbraw/zinc/71/33/40/696713340.db2.gz NHOJFNMWJPEAJT-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H](COC)C1 ZINC000262458522 698470197 /nfs/dbraw/zinc/47/01/97/698470197.db2.gz LVHXWQZMLUUGKM-AWEZNQCLSA-N 2 2 319.453 1.306 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988878322 698490589 /nfs/dbraw/zinc/49/05/89/698490589.db2.gz ZQYAKTWLSABPJG-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC(C)(C)[NH+]1CCOCC1 ZINC000303768577 698605847 /nfs/dbraw/zinc/60/58/47/698605847.db2.gz AKTITACXMAHRIR-UHFFFAOYSA-N 2 2 318.465 1.805 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673420 698720072 /nfs/dbraw/zinc/72/00/72/698720072.db2.gz VYMLIGWJFKGXSJ-UONOGXRCSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000750887690 700254808 /nfs/dbraw/zinc/25/48/08/700254808.db2.gz VVAICLAWDPZAJP-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990119613 698960951 /nfs/dbraw/zinc/96/09/51/698960951.db2.gz CVGFAGIPOKOFQY-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990119613 698960952 /nfs/dbraw/zinc/96/09/52/698960952.db2.gz CVGFAGIPOKOFQY-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990119613 698960953 /nfs/dbraw/zinc/96/09/53/698960953.db2.gz CVGFAGIPOKOFQY-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990119613 698960954 /nfs/dbraw/zinc/96/09/54/698960954.db2.gz CVGFAGIPOKOFQY-LZLYRXPVSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468475 699330767 /nfs/dbraw/zinc/33/07/67/699330767.db2.gz CDPPHXLMNZBMRD-QILLFSRXSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@H]12 ZINC000991468475 699330770 /nfs/dbraw/zinc/33/07/70/699330770.db2.gz CDPPHXLMNZBMRD-QILLFSRXSA-N 2 2 314.433 1.745 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(C#N)CC3)C2)CC1 ZINC000734284675 699646212 /nfs/dbraw/zinc/64/62/12/699646212.db2.gz YVUVERMBLQAJEX-OAHLLOKOSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(C#N)CC3)C2)CC1 ZINC000734284675 699646214 /nfs/dbraw/zinc/64/62/14/699646214.db2.gz YVUVERMBLQAJEX-OAHLLOKOSA-N 2 2 319.453 1.100 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000843087946 702816559 /nfs/dbraw/zinc/81/65/59/702816559.db2.gz LSPMKMZEXVVZAB-DLBZAZTESA-N 2 2 303.406 1.028 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843087946 702816561 /nfs/dbraw/zinc/81/65/61/702816561.db2.gz LSPMKMZEXVVZAB-DLBZAZTESA-N 2 2 303.406 1.028 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C#Cc3ccccc3)c2)CC1 ZINC000870667391 704100051 /nfs/dbraw/zinc/10/00/51/704100051.db2.gz WWLHWXVNDKFCGG-UHFFFAOYSA-N 2 2 320.396 1.824 20 30 DDEDLP C#C[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000854074979 704353211 /nfs/dbraw/zinc/35/32/11/704353211.db2.gz JULBJJGPVIUDSK-ZBFHGGJFSA-N 2 2 306.454 1.208 20 30 DDEDLP C#C[C@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000854074979 704353214 /nfs/dbraw/zinc/35/32/14/704353214.db2.gz JULBJJGPVIUDSK-ZBFHGGJFSA-N 2 2 306.454 1.208 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876722805 705839514 /nfs/dbraw/zinc/83/95/14/705839514.db2.gz FMVBFLKYXKUGOX-KRWDZBQOSA-N 2 2 323.400 1.457 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876730722 705844854 /nfs/dbraw/zinc/84/48/54/705844854.db2.gz LPVXBQPZDKPAIV-BLLLJJGKSA-N 2 2 309.373 1.146 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000863553256 705955684 /nfs/dbraw/zinc/95/56/84/705955684.db2.gz YAGWDPXVIDWZPU-DLBZAZTESA-N 2 2 317.433 1.914 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000877746767 706197014 /nfs/dbraw/zinc/19/70/14/706197014.db2.gz WUAMXFHCTPJFAZ-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000887606632 709081316 /nfs/dbraw/zinc/08/13/16/709081316.db2.gz GTTCZEBSUMWETC-CABCVRRESA-N 2 2 318.421 1.279 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000887606632 709081317 /nfs/dbraw/zinc/08/13/17/709081317.db2.gz GTTCZEBSUMWETC-CABCVRRESA-N 2 2 318.421 1.279 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)cc2CO)CC1 ZINC000892816091 710506273 /nfs/dbraw/zinc/50/62/73/710506273.db2.gz OBCLIKMUIBXWFE-UHFFFAOYSA-N 2 2 302.422 1.488 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2C[C@@]23CCOC3)cc1 ZINC000902281474 710695068 /nfs/dbraw/zinc/69/50/68/710695068.db2.gz KEFJHBASNXRBII-NVXWUHKLSA-N 2 2 303.406 1.812 20 30 DDEDLP C#CCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930071124 713749112 /nfs/dbraw/zinc/74/91/12/713749112.db2.gz CCVXJYPXTIHSOF-QGZVFWFLSA-N 2 2 305.466 1.984 20 30 DDEDLP C#CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930071124 713749113 /nfs/dbraw/zinc/74/91/13/713749113.db2.gz CCVXJYPXTIHSOF-QGZVFWFLSA-N 2 2 305.466 1.984 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](CC#N)C(F)(F)F ZINC000932894735 714432560 /nfs/dbraw/zinc/43/25/60/714432560.db2.gz UUFIXORIWJVWBQ-LLVKDONJSA-N 2 2 323.363 1.014 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](CC#N)C(F)(F)F ZINC000932894735 714432562 /nfs/dbraw/zinc/43/25/62/714432562.db2.gz UUFIXORIWJVWBQ-LLVKDONJSA-N 2 2 323.363 1.014 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000964066471 717990708 /nfs/dbraw/zinc/99/07/08/717990708.db2.gz JPEAXCHKLHXWRU-RWQKBRBCSA-N 2 2 314.433 1.649 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000960335947 716495061 /nfs/dbraw/zinc/49/50/61/716495061.db2.gz FEKUCBJDECFHQX-SJLPKXTDSA-N 2 2 310.401 1.831 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437901 717789056 /nfs/dbraw/zinc/78/90/56/717789056.db2.gz CMWNELGPZRQHMQ-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437901 717789062 /nfs/dbraw/zinc/78/90/62/717789062.db2.gz CMWNELGPZRQHMQ-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000963670753 717872450 /nfs/dbraw/zinc/87/24/50/717872450.db2.gz RDKIUEPUQZCKQZ-UHFFFAOYSA-N 2 2 310.401 1.940 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907891 718706111 /nfs/dbraw/zinc/70/61/11/718706111.db2.gz HTGQCAHSXIHQMS-DZGCQCFKSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907891 718706113 /nfs/dbraw/zinc/70/61/13/718706113.db2.gz HTGQCAHSXIHQMS-DZGCQCFKSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947440835 719164286 /nfs/dbraw/zinc/16/42/86/719164286.db2.gz DQTBSDSLQNSKBC-HOCLYGCPSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947440835 719164288 /nfs/dbraw/zinc/16/42/88/719164288.db2.gz DQTBSDSLQNSKBC-HOCLYGCPSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557513 719211145 /nfs/dbraw/zinc/21/11/45/719211145.db2.gz YNKUHLWSWKMQSL-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557513 719211148 /nfs/dbraw/zinc/21/11/48/719211148.db2.gz YNKUHLWSWKMQSL-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996790 720592004 /nfs/dbraw/zinc/59/20/04/720592004.db2.gz KCPIYDKLQMHJSP-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000970097767 720625937 /nfs/dbraw/zinc/62/59/37/720625937.db2.gz HGFPKFZWDYCMDQ-OAHLLOKOSA-N 2 2 309.373 1.215 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461180 733170208 /nfs/dbraw/zinc/17/02/08/733170208.db2.gz NWIWXGVJQNKJHJ-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021726217 733488302 /nfs/dbraw/zinc/48/83/02/733488302.db2.gz ZSQMPDKMHICWCN-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021726217 733488304 /nfs/dbraw/zinc/48/83/04/733488304.db2.gz ZSQMPDKMHICWCN-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445791 734480742 /nfs/dbraw/zinc/48/07/42/734480742.db2.gz HWERMYIAXRTDPN-XHSDSOJGSA-N 2 2 300.406 1.533 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445791 734480744 /nfs/dbraw/zinc/48/07/44/734480744.db2.gz HWERMYIAXRTDPN-XHSDSOJGSA-N 2 2 300.406 1.533 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393925 751464211 /nfs/dbraw/zinc/46/42/11/751464211.db2.gz JZMYCTMTKXQDQO-DLBZAZTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393925 751464215 /nfs/dbraw/zinc/46/42/15/751464215.db2.gz JZMYCTMTKXQDQO-DLBZAZTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035393925 751464220 /nfs/dbraw/zinc/46/42/20/751464220.db2.gz JZMYCTMTKXQDQO-DLBZAZTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035393925 751464223 /nfs/dbraw/zinc/46/42/23/751464223.db2.gz JZMYCTMTKXQDQO-DLBZAZTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644109 739841950 /nfs/dbraw/zinc/84/19/50/739841950.db2.gz VWBDZKTZWJOSKR-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644109 739841954 /nfs/dbraw/zinc/84/19/54/739841954.db2.gz VWBDZKTZWJOSKR-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035431114 751508301 /nfs/dbraw/zinc/50/83/01/751508301.db2.gz FVPDXDYRYSITDX-INIZCTEOSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035431114 751508306 /nfs/dbraw/zinc/50/83/06/751508306.db2.gz FVPDXDYRYSITDX-INIZCTEOSA-N 2 2 314.389 1.341 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121493869 782534633 /nfs/dbraw/zinc/53/46/33/782534633.db2.gz BVENCGNEYNYQMM-UHFFFAOYSA-N 2 2 300.406 1.314 20 30 DDEDLP 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ZINC001185490462 744244548 /nfs/dbraw/zinc/24/45/48/744244548.db2.gz ASUNZEOBFYUTRH-GJZGRUSLSA-N 2 2 316.449 1.785 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185594917 744255682 /nfs/dbraw/zinc/25/56/82/744255682.db2.gz LMCWWGJBGWFKHG-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992397727 744853050 /nfs/dbraw/zinc/85/30/50/744853050.db2.gz OYDLPLDFGUIVEO-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992397727 744853052 /nfs/dbraw/zinc/85/30/52/744853052.db2.gz OYDLPLDFGUIVEO-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446434 744880609 /nfs/dbraw/zinc/88/06/09/744880609.db2.gz MVQHZMQNEGSMEH-NVXWUHKLSA-N 2 2 302.422 1.950 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992446434 744880611 /nfs/dbraw/zinc/88/06/11/744880611.db2.gz 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752119187 /nfs/dbraw/zinc/11/91/87/752119187.db2.gz MOBOYYJSSPDLAN-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3=CCCCC3)C2)CC1 ZINC001031436123 746805385 /nfs/dbraw/zinc/80/53/85/746805385.db2.gz TZQRAGYAECSPPZ-UHFFFAOYSA-N 2 2 315.461 1.632 20 30 DDEDLP C=CCOCC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001196601918 746908709 /nfs/dbraw/zinc/90/87/09/746908709.db2.gz BXYFRCQACSWHJF-UHFFFAOYSA-N 2 2 320.437 1.090 20 30 DDEDLP C=CCOCC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001196601918 746908712 /nfs/dbraw/zinc/90/87/12/746908712.db2.gz BXYFRCQACSWHJF-UHFFFAOYSA-N 2 2 320.437 1.090 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668423 747351678 /nfs/dbraw/zinc/35/16/78/747351678.db2.gz FDLPOCVOKOMLMU-LSDHHAIUSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668423 747351686 /nfs/dbraw/zinc/35/16/86/747351686.db2.gz FDLPOCVOKOMLMU-LSDHHAIUSA-N 2 2 311.857 1.661 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875841 748092505 /nfs/dbraw/zinc/09/25/05/748092505.db2.gz CPFKSCCLLXLFRO-KRWDZBQOSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875841 748092511 /nfs/dbraw/zinc/09/25/11/748092511.db2.gz CPFKSCCLLXLFRO-KRWDZBQOSA-N 2 2 321.465 1.111 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001201224052 748450396 /nfs/dbraw/zinc/45/03/96/748450396.db2.gz KYHUERVHWNSPJD-UHFFFAOYSA-N 2 2 301.390 1.237 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706422 752286416 /nfs/dbraw/zinc/28/64/16/752286416.db2.gz QJBLPQBVZRKQBB-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706422 752286423 /nfs/dbraw/zinc/28/64/23/752286423.db2.gz QJBLPQBVZRKQBB-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007708677 752287228 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300.406 1.459 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033865391 749992068 /nfs/dbraw/zinc/99/20/68/749992068.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 2 2 300.406 1.459 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001033865391 749992073 /nfs/dbraw/zinc/99/20/73/749992073.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 2 2 300.406 1.459 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876570 750014738 /nfs/dbraw/zinc/01/47/38/750014738.db2.gz CDSANVKJMOTJAP-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876570 750014744 /nfs/dbraw/zinc/01/47/44/750014744.db2.gz CDSANVKJMOTJAP-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001039409672 762007795 /nfs/dbraw/zinc/00/77/95/762007795.db2.gz DEMUXLZXMDGIIT-CABCVRRESA-N 2 2 300.406 1.051 20 30 DDEDLP 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DACRAGNAPUJMPG-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000999561525 752996710 /nfs/dbraw/zinc/99/67/10/752996710.db2.gz TYTBJDBEHMXHFS-UHFFFAOYSA-N 2 2 312.417 1.950 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036703073 753499380 /nfs/dbraw/zinc/49/93/80/753499380.db2.gz WKUAHUHZHACQKJ-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036703073 753499386 /nfs/dbraw/zinc/49/93/86/753499386.db2.gz WKUAHUHZHACQKJ-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014490062 755757511 /nfs/dbraw/zinc/75/75/11/755757511.db2.gz DWKRSFPSGLDEME-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014490062 755757514 /nfs/dbraw/zinc/75/75/14/755757514.db2.gz DWKRSFPSGLDEME-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP 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316.449 1.757 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001113146985 765339431 /nfs/dbraw/zinc/33/94/31/765339431.db2.gz ZYMYSPIFYRUSJB-QGZVFWFLSA-N 2 2 321.465 1.208 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052502263 765893017 /nfs/dbraw/zinc/89/30/17/765893017.db2.gz BXISDBGYHHNUCR-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052502263 765893021 /nfs/dbraw/zinc/89/30/21/765893021.db2.gz BXISDBGYHHNUCR-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482950 766341072 /nfs/dbraw/zinc/34/10/72/766341072.db2.gz VORLUFGILZANCF-UHFFFAOYSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001096030613 766345850 /nfs/dbraw/zinc/34/58/50/766345850.db2.gz FWUZRURVLFDGGZ-SUJAAXHWSA-N 2 2 312.417 1.268 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001096030613 766345859 /nfs/dbraw/zinc/34/58/59/766345859.db2.gz FWUZRURVLFDGGZ-SUJAAXHWSA-N 2 2 312.417 1.268 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434403 767561690 /nfs/dbraw/zinc/56/16/90/767561690.db2.gz MGFLZPYZUUJSOT-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434403 767561696 /nfs/dbraw/zinc/56/16/96/767561696.db2.gz MGFLZPYZUUJSOT-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132353738 768768140 /nfs/dbraw/zinc/76/81/40/768768140.db2.gz HWYCPISVPUKHGU-ZBFHGGJFSA-N 2 2 302.422 1.574 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132353738 768768144 /nfs/dbraw/zinc/76/81/44/768768144.db2.gz HWYCPISVPUKHGU-ZBFHGGJFSA-N 2 2 302.422 1.574 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248200 769190198 /nfs/dbraw/zinc/19/01/98/769190198.db2.gz GQOGBKJWMMCWHA-DOTOQJQBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248200 769190201 /nfs/dbraw/zinc/19/02/01/769190201.db2.gz GQOGBKJWMMCWHA-DOTOQJQBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194231 769577286 /nfs/dbraw/zinc/57/72/86/769577286.db2.gz BCFVEVKVBMGLNH-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242419 769621113 /nfs/dbraw/zinc/62/11/13/769621113.db2.gz RZEXXCIYIYPFJZ-LSDHHAIUSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242327 769621542 /nfs/dbraw/zinc/62/15/42/769621542.db2.gz QNEPKZVAEWYZRH-ZIAGYGMSSA-N 2 2 302.422 1.395 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899364 770080413 /nfs/dbraw/zinc/08/04/13/770080413.db2.gz OCAHPJFIAZIKDS-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899364 770080426 /nfs/dbraw/zinc/08/04/26/770080426.db2.gz OCAHPJFIAZIKDS-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970083 770188634 /nfs/dbraw/zinc/18/86/34/770188634.db2.gz AWIGTDYFAWUTOE-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970083 770188635 /nfs/dbraw/zinc/18/86/35/770188635.db2.gz AWIGTDYFAWUTOE-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134613162 771079113 /nfs/dbraw/zinc/07/91/13/771079113.db2.gz IAXKOMUWSAVYLK-UHFFFAOYSA-N 2 2 315.845 1.090 20 30 DDEDLP C=CCCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488085 771366687 /nfs/dbraw/zinc/36/66/87/771366687.db2.gz DZXQJBVMEZLTPA-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488085 771366693 /nfs/dbraw/zinc/36/66/93/771366693.db2.gz DZXQJBVMEZLTPA-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151367 772444025 /nfs/dbraw/zinc/44/40/25/772444025.db2.gz HYXIGQVXKLIRDK-OAHLLOKOSA-N 2 2 322.453 1.810 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151367 772444028 /nfs/dbraw/zinc/44/40/28/772444028.db2.gz HYXIGQVXKLIRDK-OAHLLOKOSA-N 2 2 322.453 1.810 20 30 DDEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959695 773745895 /nfs/dbraw/zinc/74/58/95/773745895.db2.gz PQKDELPKLFMYSX-INIZCTEOSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001074269351 773781735 /nfs/dbraw/zinc/78/17/35/773781735.db2.gz UZNDDDNECROLKO-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001074269351 773781738 /nfs/dbraw/zinc/78/17/38/773781738.db2.gz UZNDDDNECROLKO-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074269351 773781741 /nfs/dbraw/zinc/78/17/41/773781741.db2.gz UZNDDDNECROLKO-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074269351 773781744 /nfs/dbraw/zinc/78/17/44/773781744.db2.gz UZNDDDNECROLKO-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001074867763 774199387 /nfs/dbraw/zinc/19/93/87/774199387.db2.gz BMQBEJCKQQQQHC-MJBXVCDLSA-N 2 2 302.422 1.985 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747901 774247194 /nfs/dbraw/zinc/24/71/94/774247194.db2.gz KCEZIPXNAOTTOR-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747901 774247196 /nfs/dbraw/zinc/24/71/96/774247196.db2.gz KCEZIPXNAOTTOR-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734406 774427952 /nfs/dbraw/zinc/42/79/52/774427952.db2.gz RAMZCXNFQCCGSC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734406 774427957 /nfs/dbraw/zinc/42/79/57/774427957.db2.gz RAMZCXNFQCCGSC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734406 774427961 /nfs/dbraw/zinc/42/79/61/774427961.db2.gz RAMZCXNFQCCGSC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734406 774427965 /nfs/dbraw/zinc/42/79/65/774427965.db2.gz RAMZCXNFQCCGSC-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829744 774827013 /nfs/dbraw/zinc/82/70/13/774827013.db2.gz KSXUJGZTWYSGCW-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829744 774827019 /nfs/dbraw/zinc/82/70/19/774827019.db2.gz KSXUJGZTWYSGCW-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882001 775948691 /nfs/dbraw/zinc/94/86/91/775948691.db2.gz FDJUMBCRYRZCQP-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882001 775948698 /nfs/dbraw/zinc/94/86/98/775948698.db2.gz FDJUMBCRYRZCQP-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486470 776294407 /nfs/dbraw/zinc/29/44/07/776294407.db2.gz JZOLEJIFACMCRL-HNNXBMFYSA-N 2 2 317.433 1.921 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001171917617 776517953 /nfs/dbraw/zinc/51/79/53/776517953.db2.gz AZMPABWGIVVIMS-DLBZAZTESA-N 2 2 323.481 1.385 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001171917617 776517958 /nfs/dbraw/zinc/51/79/58/776517958.db2.gz AZMPABWGIVVIMS-DLBZAZTESA-N 2 2 323.481 1.385 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001095046324 777032281 /nfs/dbraw/zinc/03/22/81/777032281.db2.gz BDLBEEDXZYGEKY-UXLLHSPISA-N 2 2 316.449 1.898 20 30 DDEDLP C[NH+]1CC(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426987 777187969 /nfs/dbraw/zinc/18/79/69/777187969.db2.gz MVFWTLKNTWLHCT-UHFFFAOYSA-N 2 2 312.417 1.314 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174473 777913491 /nfs/dbraw/zinc/91/34/91/777913491.db2.gz VMVWMBASFRLGOO-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174473 777913496 /nfs/dbraw/zinc/91/34/96/777913496.db2.gz VMVWMBASFRLGOO-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532186 778187214 /nfs/dbraw/zinc/18/72/14/778187214.db2.gz YZPOORMCWSTEEZ-UKRRQHHQSA-N 2 2 320.437 1.147 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532186 778187217 /nfs/dbraw/zinc/18/72/17/778187217.db2.gz YZPOORMCWSTEEZ-UKRRQHHQSA-N 2 2 320.437 1.147 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176870891 778280732 /nfs/dbraw/zinc/28/07/32/778280732.db2.gz MSGFJSFTIBEMEB-UHFFFAOYSA-N 2 2 307.463 1.778 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176870891 778280738 /nfs/dbraw/zinc/28/07/38/778280738.db2.gz MSGFJSFTIBEMEB-UHFFFAOYSA-N 2 2 307.463 1.778 20 30 DDEDLP COCC#CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649447 779123532 /nfs/dbraw/zinc/12/35/32/779123532.db2.gz JAOLRYSXTUUNQL-UHFFFAOYSA-N 2 2 320.437 1.258 20 30 DDEDLP COCC#CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649447 779123537 /nfs/dbraw/zinc/12/35/37/779123537.db2.gz JAOLRYSXTUUNQL-UHFFFAOYSA-N 2 2 320.437 1.258 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731849 779453255 /nfs/dbraw/zinc/45/32/55/779453255.db2.gz QDQDKJHIYYAIFZ-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731849 779453262 /nfs/dbraw/zinc/45/32/62/779453262.db2.gz QDQDKJHIYYAIFZ-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885205 779538030 /nfs/dbraw/zinc/53/80/30/779538030.db2.gz FHNPARKYBGHMCT-BQFCYCMXSA-N 2 2 314.433 1.828 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885205 779538034 /nfs/dbraw/zinc/53/80/34/779538034.db2.gz FHNPARKYBGHMCT-BQFCYCMXSA-N 2 2 314.433 1.828 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466381 838113640 /nfs/dbraw/zinc/11/36/40/838113640.db2.gz NQRJLJWEPNKWQA-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466381 838113645 /nfs/dbraw/zinc/11/36/45/838113645.db2.gz NQRJLJWEPNKWQA-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267958364 839267866 /nfs/dbraw/zinc/26/78/66/839267866.db2.gz JYAGTKWBFKWLIG-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023790 839409016 /nfs/dbraw/zinc/40/90/16/839409016.db2.gz QMNDAKBMQHGBOW-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023790 839409026 /nfs/dbraw/zinc/40/90/26/839409026.db2.gz QMNDAKBMQHGBOW-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001268119599 839711442 /nfs/dbraw/zinc/71/14/42/839711442.db2.gz RDIAZMRSAXDSER-KRWDZBQOSA-N 2 2 316.449 1.951 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269084877 841184241 /nfs/dbraw/zinc/18/42/41/841184241.db2.gz OAJOPMHIVMMATO-JKSUJKDBSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001269181036 841305703 /nfs/dbraw/zinc/30/57/03/841305703.db2.gz HJTVPZYMBPPMIC-HOCLYGCPSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001269805239 842062305 /nfs/dbraw/zinc/06/23/05/842062305.db2.gz UVFYVBREUCXYJU-MRXNPFEDSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001271445596 843599667 /nfs/dbraw/zinc/59/96/67/843599667.db2.gz DRALJKVVTJCXHF-ZBFHGGJFSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001326990257 861778268 /nfs/dbraw/zinc/77/82/68/861778268.db2.gz MGXZJYGATQGCFD-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001326990257 861778274 /nfs/dbraw/zinc/77/82/74/861778274.db2.gz MGXZJYGATQGCFD-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272873421 847575216 /nfs/dbraw/zinc/57/52/16/847575216.db2.gz KMBHIXYBQWKGBG-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273101088 847907795 /nfs/dbraw/zinc/90/77/95/847907795.db2.gz NIQVPKOERSAHGX-UHFFFAOYSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276383 848231299 /nfs/dbraw/zinc/23/12/99/848231299.db2.gz NZCLTLGFXPLHQV-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276383 848231307 /nfs/dbraw/zinc/23/13/07/848231307.db2.gz NZCLTLGFXPLHQV-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321244 861958521 /nfs/dbraw/zinc/95/85/21/861958521.db2.gz IMARJDKTXKVILS-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321244 861958533 /nfs/dbraw/zinc/95/85/33/861958533.db2.gz IMARJDKTXKVILS-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327362881 862105389 /nfs/dbraw/zinc/10/53/89/862105389.db2.gz DSTXPQNNKLGJSY-HOTGVXAUSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)O2 ZINC001327362881 862105402 /nfs/dbraw/zinc/10/54/02/862105402.db2.gz DSTXPQNNKLGJSY-HOTGVXAUSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444785 850644649 /nfs/dbraw/zinc/64/46/49/850644649.db2.gz GQKVOJUDABCYJK-ZFWWWQNUSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444785 850644653 /nfs/dbraw/zinc/64/46/53/850644653.db2.gz GQKVOJUDABCYJK-ZFWWWQNUSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521531 862187330 /nfs/dbraw/zinc/18/73/30/862187330.db2.gz JWXRWLULSJAVIS-JKSUJKDBSA-N 2 2 322.453 1.863 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521531 862187338 /nfs/dbraw/zinc/18/73/38/862187338.db2.gz JWXRWLULSJAVIS-JKSUJKDBSA-N 2 2 322.453 1.863 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001280658895 851908552 /nfs/dbraw/zinc/90/85/52/851908552.db2.gz GKLLSPGVHXXSKD-CYBMUJFWSA-N 2 2 306.410 1.080 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)nc1 ZINC001275294849 852959954 /nfs/dbraw/zinc/95/99/54/852959954.db2.gz AJGJENYCBYZGGX-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)nc1 ZINC001275294849 852959963 /nfs/dbraw/zinc/95/99/63/852959963.db2.gz AJGJENYCBYZGGX-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275551619 853326791 /nfs/dbraw/zinc/32/67/91/853326791.db2.gz YYDRXIXTFXETPI-WBVHZDCISA-N 2 2 314.433 1.332 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275551619 853326801 /nfs/dbraw/zinc/32/68/01/853326801.db2.gz YYDRXIXTFXETPI-WBVHZDCISA-N 2 2 314.433 1.332 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001276063032 854692906 /nfs/dbraw/zinc/69/29/06/854692906.db2.gz XJMKIKGZJPHTFB-MRXNPFEDSA-N 2 2 323.481 1.236 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001276063032 854692907 /nfs/dbraw/zinc/69/29/07/854692907.db2.gz XJMKIKGZJPHTFB-MRXNPFEDSA-N 2 2 323.481 1.236 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)Cl)C2 ZINC001072822472 857757890 /nfs/dbraw/zinc/75/78/90/857757890.db2.gz IISNQAXNCFFKEW-HNNXBMFYSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=C)Cl)C2 ZINC001072822472 857757881 /nfs/dbraw/zinc/75/78/81/857757881.db2.gz IISNQAXNCFFKEW-HNNXBMFYSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=C)Cl)C2 ZINC001072822472 857757886 /nfs/dbraw/zinc/75/78/86/857757886.db2.gz IISNQAXNCFFKEW-HNNXBMFYSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)Cl)C2 ZINC001072822472 857757893 /nfs/dbraw/zinc/75/78/93/857757893.db2.gz IISNQAXNCFFKEW-HNNXBMFYSA-N 2 2 321.852 1.371 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870682 857825962 /nfs/dbraw/zinc/82/59/62/857825962.db2.gz QAPNDGWZLUOYIA-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870682 857825964 /nfs/dbraw/zinc/82/59/64/857825964.db2.gz QAPNDGWZLUOYIA-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001329829227 863882011 /nfs/dbraw/zinc/88/20/11/863882011.db2.gz MWYQNAYORITNMW-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001329934730 863954718 /nfs/dbraw/zinc/95/47/18/863954718.db2.gz ZIQLXLJTIDWZPQ-HUUCEWRRSA-N 2 2 317.437 1.612 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001330403626 864314176 /nfs/dbraw/zinc/31/41/76/864314176.db2.gz JVAHGDZTQJFGGZ-CABCVRRESA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330406925 864318360 /nfs/dbraw/zinc/31/83/60/864318360.db2.gz YCNFDQXPWZBJRJ-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158249882 864513479 /nfs/dbraw/zinc/51/34/79/864513479.db2.gz RBCWSKCRGDOIRC-HZPDHXFCSA-N 2 2 316.449 1.826 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331287645 864990936 /nfs/dbraw/zinc/99/09/36/864990936.db2.gz FDRIDKBGBKQMGL-FMKPAKJESA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331287645 864990939 /nfs/dbraw/zinc/99/09/39/864990939.db2.gz FDRIDKBGBKQMGL-FMKPAKJESA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001331476434 865109658 /nfs/dbraw/zinc/10/96/58/865109658.db2.gz VMILILAFPNIONE-JKSUJKDBSA-N 2 2 304.438 1.930 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2c1ccn2C ZINC001159921358 865595180 /nfs/dbraw/zinc/59/51/80/865595180.db2.gz QLNJASNTUGEOAE-ZDUSSCGKSA-N 2 2 317.393 1.607 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523215 865909776 /nfs/dbraw/zinc/90/97/76/865909776.db2.gz JEZDHPQWIQNUSR-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523215 865909780 /nfs/dbraw/zinc/90/97/80/865909780.db2.gz JEZDHPQWIQNUSR-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001319829122 866320178 /nfs/dbraw/zinc/32/01/78/866320178.db2.gz YVMZBQAJAVVIFN-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319866039 866358019 /nfs/dbraw/zinc/35/80/19/866358019.db2.gz ZJESOSNTCTUFTC-CZUORRHYSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320021810 866432644 /nfs/dbraw/zinc/43/26/44/866432644.db2.gz SFEOFLDHVBPINP-HNNXBMFYSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320021810 866432645 /nfs/dbraw/zinc/43/26/45/866432645.db2.gz SFEOFLDHVBPINP-HNNXBMFYSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301679 866506196 /nfs/dbraw/zinc/50/61/96/866506196.db2.gz WHOUNHXQUZTEQO-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001320147542 866510771 /nfs/dbraw/zinc/51/07/71/866510771.db2.gz PYWIFENESBAWJS-GOEBONIOSA-N 2 2 315.417 1.531 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001320147543 866511011 /nfs/dbraw/zinc/51/10/11/866511011.db2.gz PYWIFENESBAWJS-HOCLYGCPSA-N 2 2 315.417 1.531 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001323339868 866545745 /nfs/dbraw/zinc/54/57/45/866545745.db2.gz VPKXYKCWDYGSLL-CQSZACIVSA-N 2 2 315.421 1.237 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC001323339868 866545763 /nfs/dbraw/zinc/54/57/63/866545763.db2.gz VPKXYKCWDYGSLL-CQSZACIVSA-N 2 2 315.421 1.237 20 30 DDEDLP COC[C@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324987517 867679957 /nfs/dbraw/zinc/67/99/57/867679957.db2.gz GTLGANUYHREEJE-ZDUSSCGKSA-N 2 2 308.401 1.536 20 30 DDEDLP N#Cc1cccc(NC(=O)CC[NH2+]CC[NH+]2CCCCC2)c1 ZINC001336700569 869099883 /nfs/dbraw/zinc/09/98/83/869099883.db2.gz XCDRRJRITPJMOL-UHFFFAOYSA-N 2 2 300.406 1.962 20 30 DDEDLP C#CCC[NH+]1CCC(N(CCC)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001317006990 870113566 /nfs/dbraw/zinc/11/35/66/870113566.db2.gz ZMIMZRXTCIEKTP-UHFFFAOYSA-N 2 2 316.449 1.987 20 30 DDEDLP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317171814 870412114 /nfs/dbraw/zinc/41/21/14/870412114.db2.gz BLTWFRXCCRDRLK-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317171814 870412121 /nfs/dbraw/zinc/41/21/21/870412121.db2.gz BLTWFRXCCRDRLK-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317171814 870412126 /nfs/dbraw/zinc/41/21/26/870412126.db2.gz BLTWFRXCCRDRLK-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317171814 870412130 /nfs/dbraw/zinc/41/21/30/870412130.db2.gz BLTWFRXCCRDRLK-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001317672287 871377588 /nfs/dbraw/zinc/37/75/88/871377588.db2.gz AUIGTXXRVVBMAL-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238299 872154569 /nfs/dbraw/zinc/15/45/69/872154569.db2.gz LNJFRFXIHJLBKF-HNNXBMFYSA-N 2 2 314.433 1.681 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319622064 872723642 /nfs/dbraw/zinc/72/36/42/872723642.db2.gz XPFMYMFLSLCUGQ-HUUCEWRRSA-N 2 2 304.438 1.752 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658975 873448130 /nfs/dbraw/zinc/44/81/30/873448130.db2.gz BIQBFRHXPCHMLG-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658975 873448144 /nfs/dbraw/zinc/44/81/44/873448144.db2.gz BIQBFRHXPCHMLG-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923726 873662935 /nfs/dbraw/zinc/66/29/35/873662935.db2.gz ATOWEVUKEPQCEU-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450641 874153183 /nfs/dbraw/zinc/15/31/83/874153183.db2.gz JBQOWXYFHPMWAZ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499993 875954539 /nfs/dbraw/zinc/95/45/39/875954539.db2.gz ITHVESRVCZBBBK-RBSFLKMASA-N 2 2 306.410 1.226 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499993 875954532 /nfs/dbraw/zinc/95/45/32/875954532.db2.gz ITHVESRVCZBBBK-RBSFLKMASA-N 2 2 306.410 1.226 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864193 878552382 /nfs/dbraw/zinc/55/23/82/878552382.db2.gz JXCKSLMQDUERTE-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220663657 879168283 /nfs/dbraw/zinc/16/82/83/879168283.db2.gz KDBNAUAVKKQIOB-IUODEOHRSA-N 2 2 314.389 1.722 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228852339 883699590 /nfs/dbraw/zinc/69/95/90/883699590.db2.gz IRARZWKXXVIARF-ARFHVFGLSA-N 2 2 302.422 1.875 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230378731 884457353 /nfs/dbraw/zinc/45/73/53/884457353.db2.gz UBLTZVWQOPNDFX-KRWDZBQOSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247609773 893249945 /nfs/dbraw/zinc/24/99/45/893249945.db2.gz ODJLWQBBUJWQQA-HNNXBMFYSA-N 2 2 311.389 1.512 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001388752146 895827780 /nfs/dbraw/zinc/82/77/80/895827780.db2.gz CBKWKUPEWKRRJG-UONOGXRCSA-N 2 2 310.829 1.900 20 30 DDEDLP C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001278918545 897304875 /nfs/dbraw/zinc/30/48/75/897304875.db2.gz RHXKHTBBCAMGDN-HUUCEWRRSA-N 2 2 304.438 1.878 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001258296878 898129936 /nfs/dbraw/zinc/12/99/36/898129936.db2.gz FNWJOWHBZXKWQL-MRXNPFEDSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001258296878 898129944 /nfs/dbraw/zinc/12/99/44/898129944.db2.gz FNWJOWHBZXKWQL-MRXNPFEDSA-N 2 2 305.466 1.971 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001264514663 901160741 /nfs/dbraw/zinc/16/07/41/901160741.db2.gz DHTZRLQSKWQCLR-CVEARBPZSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264631844 901234745 /nfs/dbraw/zinc/23/47/45/901234745.db2.gz CGDOGFZTIRHCMZ-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264631844 901234750 /nfs/dbraw/zinc/23/47/50/901234750.db2.gz CGDOGFZTIRHCMZ-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C#CCC[NH+]1CCC(N(CCC)C(=O)CCn2cc[nH+]c2)CC1 ZINC001265340151 901903175 /nfs/dbraw/zinc/90/31/75/901903175.db2.gz HRWAYIUKTRMJTG-UHFFFAOYSA-N 2 2 316.449 2.000 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265653961 902260780 /nfs/dbraw/zinc/26/07/80/902260780.db2.gz KVEYAVNALNOFJR-JKSUJKDBSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265653961 902260794 /nfs/dbraw/zinc/26/07/94/902260794.db2.gz KVEYAVNALNOFJR-JKSUJKDBSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266010040 902748999 /nfs/dbraw/zinc/74/89/99/902748999.db2.gz CSPCXISSNCMRLS-GDBMZVCRSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001280083872 903510913 /nfs/dbraw/zinc/51/09/13/903510913.db2.gz MUJCLJKYMSCARY-RRFJBIMHSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001280083872 903510923 /nfs/dbraw/zinc/51/09/23/903510923.db2.gz MUJCLJKYMSCARY-RRFJBIMHSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001280128422 903521411 /nfs/dbraw/zinc/52/14/11/903521411.db2.gz QFXSYAKIKAYBDU-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001370779287 903726588 /nfs/dbraw/zinc/72/65/88/903726588.db2.gz GUUCJOSSWQWDLL-ZDUSSCGKSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001370779287 903726591 /nfs/dbraw/zinc/72/65/91/903726591.db2.gz GUUCJOSSWQWDLL-ZDUSSCGKSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@@H+](C)CCC)CO2 ZINC001280962221 904249729 /nfs/dbraw/zinc/24/97/29/904249729.db2.gz OZFHLULHQAGJFX-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CCC)CO2 ZINC001280962221 904249741 /nfs/dbraw/zinc/24/97/41/904249741.db2.gz OZFHLULHQAGJFX-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001393832678 908041433 /nfs/dbraw/zinc/04/14/33/908041433.db2.gz BTAMMHMEQMNTAA-NSHDSACASA-N 2 2 315.215 1.276 20 30 DDEDLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001393833500 908042683 /nfs/dbraw/zinc/04/26/83/908042683.db2.gz QNMBRKPELVECAU-LBPRGKRZSA-N 2 2 317.418 1.501 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001284377658 908912627 /nfs/dbraw/zinc/91/26/27/908912627.db2.gz YMMUBQHPHTYVEE-ZYHUDNBSSA-N 2 2 316.327 1.365 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565169 422733945 /nfs/dbraw/zinc/73/39/45/422733945.db2.gz JOYKELQTIILKLE-QWHCGFSZSA-N 2 2 319.371 1.646 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565169 422733951 /nfs/dbraw/zinc/73/39/51/422733951.db2.gz JOYKELQTIILKLE-QWHCGFSZSA-N 2 2 319.371 1.646 20 30 DDEDLP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449605984 529869238 /nfs/dbraw/zinc/86/92/38/529869238.db2.gz XMWLNTJCRGCSQY-CQSZACIVSA-N 2 2 314.433 1.637 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329747095 529903401 /nfs/dbraw/zinc/90/34/01/529903401.db2.gz SFFCWYGMSHDXPC-GOEBONIOSA-N 2 2 321.469 1.550 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329747095 529903402 /nfs/dbraw/zinc/90/34/02/529903402.db2.gz SFFCWYGMSHDXPC-GOEBONIOSA-N 2 2 321.469 1.550 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000459324832 233103188 /nfs/dbraw/zinc/10/31/88/233103188.db2.gz KXTZSQLSAVXWFE-UHFFFAOYSA-N 2 2 313.380 1.796 20 30 DDEDLP C=CCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579571836 354720522 /nfs/dbraw/zinc/72/05/22/354720522.db2.gz CXZIFEKDXBXJLR-IRXDYDNUSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579571836 354720526 /nfs/dbraw/zinc/72/05/26/354720526.db2.gz CXZIFEKDXBXJLR-IRXDYDNUSA-N 2 2 316.449 1.978 20 30 DDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592070207 355482603 /nfs/dbraw/zinc/48/26/03/355482603.db2.gz KUTPDRYULOWKIN-GOSISDBHSA-N 2 2 313.449 1.554 20 30 DDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)CC1 ZINC000592070207 355482606 /nfs/dbraw/zinc/48/26/06/355482606.db2.gz KUTPDRYULOWKIN-GOSISDBHSA-N 2 2 313.449 1.554 20 30 DDEDLP Cn1nncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693178 355969534 /nfs/dbraw/zinc/96/95/34/355969534.db2.gz RMHNKYLGDVIICI-UHFFFAOYSA-N 2 2 310.405 1.441 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594435179 356212414 /nfs/dbraw/zinc/21/24/14/356212414.db2.gz BTNOECBWOUCVSJ-SJORKVTESA-N 2 2 314.433 1.913 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594435179 356212419 /nfs/dbraw/zinc/21/24/19/356212419.db2.gz BTNOECBWOUCVSJ-SJORKVTESA-N 2 2 314.433 1.913 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CC#N)CC2)CC1 ZINC000597790828 357330787 /nfs/dbraw/zinc/33/07/87/357330787.db2.gz PDFXRSYNVVZOHJ-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CC#N)CC2)CC1 ZINC000597790828 357330795 /nfs/dbraw/zinc/33/07/95/357330795.db2.gz PDFXRSYNVVZOHJ-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000602891425 359274171 /nfs/dbraw/zinc/27/41/71/359274171.db2.gz MVSVKCHNCUAUEJ-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000602891425 359274177 /nfs/dbraw/zinc/27/41/77/359274177.db2.gz MVSVKCHNCUAUEJ-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093046199 407192591 /nfs/dbraw/zinc/19/25/91/407192591.db2.gz KHMGJGQWMOLYNF-UHFFFAOYSA-N 2 2 320.462 1.606 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc[nH+]1 ZINC000093562745 407199298 /nfs/dbraw/zinc/19/92/98/407199298.db2.gz APVALVAFUABBJD-UHFFFAOYSA-N 2 2 312.377 1.329 20 30 DDEDLP C=C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000128195873 407506650 /nfs/dbraw/zinc/50/66/50/407506650.db2.gz RYXDJLZHJYXTFQ-HNNXBMFYSA-N 2 2 308.470 1.810 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1cccc(Cl)c1 ZINC000114087155 407538242 /nfs/dbraw/zinc/53/82/42/407538242.db2.gz PTPIGGRPSUKYLP-HNNXBMFYSA-N 2 2 324.856 1.678 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1cccc(Cl)c1 ZINC000114087155 407538253 /nfs/dbraw/zinc/53/82/53/407538253.db2.gz PTPIGGRPSUKYLP-HNNXBMFYSA-N 2 2 324.856 1.678 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262481539 407844926 /nfs/dbraw/zinc/84/49/26/407844926.db2.gz RPPPYYMVPZQNJS-OAHLLOKOSA-N 3 2 304.442 1.019 20 30 DDEDLP Cc1n[nH]c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000272515948 407959764 /nfs/dbraw/zinc/95/97/64/407959764.db2.gz HDLLJNNXFULCRM-UHFFFAOYSA-N 2 2 324.432 1.782 20 30 DDEDLP C=C(C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000181270264 407974278 /nfs/dbraw/zinc/97/42/78/407974278.db2.gz LNTJASSGHBTDGG-UHFFFAOYSA-N 2 2 323.481 1.646 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000245432550 407978964 /nfs/dbraw/zinc/97/89/64/407978964.db2.gz OPKNTTSLZNRVBR-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000245432550 407978967 /nfs/dbraw/zinc/97/89/67/407978967.db2.gz OPKNTTSLZNRVBR-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000245432550 407978969 /nfs/dbraw/zinc/97/89/69/407978969.db2.gz OPKNTTSLZNRVBR-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000245432550 407978974 /nfs/dbraw/zinc/97/89/74/407978974.db2.gz OPKNTTSLZNRVBR-ZIAGYGMSSA-N 2 2 310.442 1.050 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150858704 408215381 /nfs/dbraw/zinc/21/53/81/408215381.db2.gz OOEGNDCBDFLAPZ-NUJGCVRESA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150858704 408215386 /nfs/dbraw/zinc/21/53/86/408215386.db2.gz OOEGNDCBDFLAPZ-NUJGCVRESA-N 2 2 320.481 1.847 20 30 DDEDLP CCOCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303890368 409553358 /nfs/dbraw/zinc/55/33/58/409553358.db2.gz QAXXBSWUFGXFPL-UHFFFAOYSA-N 2 2 319.384 1.842 20 30 DDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C(N)=O)O1 ZINC000329892669 410474495 /nfs/dbraw/zinc/47/44/95/410474495.db2.gz AKNAQTPBBNIGAR-RISCZKNCSA-N 2 2 324.425 1.194 20 30 DDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C(N)=O)O1 ZINC000329892669 410474500 /nfs/dbraw/zinc/47/45/00/410474500.db2.gz AKNAQTPBBNIGAR-RISCZKNCSA-N 2 2 324.425 1.194 20 30 DDEDLP C=CCOCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358904324 410536989 /nfs/dbraw/zinc/53/69/89/410536989.db2.gz PWBWQDRZGLHCMK-UHFFFAOYSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850733 418526706 /nfs/dbraw/zinc/52/67/06/418526706.db2.gz ADYOWUNRBLCIFG-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850733 418526709 /nfs/dbraw/zinc/52/67/09/418526709.db2.gz ADYOWUNRBLCIFG-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](COC)C1 ZINC000262488239 222283116 /nfs/dbraw/zinc/28/31/16/222283116.db2.gz UAGUEIPSRJKKHS-ZDUSSCGKSA-N 2 2 305.426 1.263 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](CC(C)C)C1 ZINC000262801461 222295570 /nfs/dbraw/zinc/29/55/70/222295570.db2.gz RABPURXSCQONBO-CQSZACIVSA-N 2 2 320.485 1.930 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCC1CCOCC1 ZINC000262826869 222297201 /nfs/dbraw/zinc/29/72/01/222297201.db2.gz QQEBDKZPHJPEJF-UHFFFAOYSA-N 2 2 319.453 1.354 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264068768 222312382 /nfs/dbraw/zinc/31/23/82/222312382.db2.gz CMYMIORXHXWNSO-JKSUJKDBSA-N 2 2 317.481 1.900 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000266736637 222362825 /nfs/dbraw/zinc/36/28/25/222362825.db2.gz KVEDGMADWXWZHP-UHFFFAOYSA-N 2 2 315.421 1.932 20 30 DDEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606097 418723395 /nfs/dbraw/zinc/72/33/95/418723395.db2.gz CVAIXUHIVOVPAQ-GDBMZVCRSA-N 2 2 310.405 1.575 20 30 DDEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606097 418723397 /nfs/dbraw/zinc/72/33/97/418723397.db2.gz CVAIXUHIVOVPAQ-GDBMZVCRSA-N 2 2 310.405 1.575 20 30 DDEDLP C=CCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000447984285 420829771 /nfs/dbraw/zinc/82/97/71/420829771.db2.gz XQPVKTVWZBRWRA-UHFFFAOYSA-N 2 2 308.470 1.810 20 30 DDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3(C#N)CCC3)CC2)C1 ZINC000450363830 421188580 /nfs/dbraw/zinc/18/85/80/421188580.db2.gz KAXIPGDGFUPDHJ-QGZVFWFLSA-N 2 2 320.481 1.407 20 30 DDEDLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3(C#N)CCC3)CC2)C1 ZINC000450363830 421188582 /nfs/dbraw/zinc/18/85/82/421188582.db2.gz KAXIPGDGFUPDHJ-QGZVFWFLSA-N 2 2 320.481 1.407 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000527297134 421375493 /nfs/dbraw/zinc/37/54/93/421375493.db2.gz KTLNETRHRBVIIL-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000527297134 421375494 /nfs/dbraw/zinc/37/54/94/421375494.db2.gz KTLNETRHRBVIIL-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP C=CC[C@@H](CO)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574323896 422091747 /nfs/dbraw/zinc/09/17/47/422091747.db2.gz OBFGKAQAPZKVPK-CVEARBPZSA-N 2 2 317.433 1.788 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000646105655 423339046 /nfs/dbraw/zinc/33/90/46/423339046.db2.gz BEBGVWVCVJFRMV-UHFFFAOYSA-N 2 2 302.393 1.974 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000646105655 423339048 /nfs/dbraw/zinc/33/90/48/423339048.db2.gz BEBGVWVCVJFRMV-UHFFFAOYSA-N 2 2 302.393 1.974 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091027 267181093 /nfs/dbraw/zinc/18/10/93/267181093.db2.gz CTYADQNEPMOOIS-BBRMVZONSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091027 267181099 /nfs/dbraw/zinc/18/10/99/267181099.db2.gz CTYADQNEPMOOIS-BBRMVZONSA-N 2 2 300.406 1.549 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000517588979 268127842 /nfs/dbraw/zinc/12/78/42/268127842.db2.gz WTAYMMRKXMMKAB-INIZCTEOSA-N 2 2 302.422 1.583 20 30 DDEDLP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C#N ZINC000517588979 268127843 /nfs/dbraw/zinc/12/78/43/268127843.db2.gz WTAYMMRKXMMKAB-INIZCTEOSA-N 2 2 302.422 1.583 20 30 DDEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000583869218 337362482 /nfs/dbraw/zinc/36/24/82/337362482.db2.gz BRGYSMIDTQLCEA-LSDHHAIUSA-N 2 2 311.389 1.647 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839305 341304764 /nfs/dbraw/zinc/30/47/64/341304764.db2.gz CRJTULYKICSHQS-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839305 341304765 /nfs/dbraw/zinc/30/47/65/341304765.db2.gz CRJTULYKICSHQS-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549839305 341304766 /nfs/dbraw/zinc/30/47/66/341304766.db2.gz CRJTULYKICSHQS-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549839305 341304767 /nfs/dbraw/zinc/30/47/67/341304767.db2.gz CRJTULYKICSHQS-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514776 735283356 /nfs/dbraw/zinc/28/33/56/735283356.db2.gz RLKSFFDQRCPBOC-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514776 735283358 /nfs/dbraw/zinc/28/33/58/735283358.db2.gz RLKSFFDQRCPBOC-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329633018 534764058 /nfs/dbraw/zinc/76/40/58/534764058.db2.gz SFIKVUAZPLUEGE-VXGBXAGGSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329633018 534764068 /nfs/dbraw/zinc/76/40/68/534764068.db2.gz SFIKVUAZPLUEGE-VXGBXAGGSA-N 2 2 314.393 1.784 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980191104 696704986 /nfs/dbraw/zinc/70/49/86/696704986.db2.gz FHYAIHMXGXOORZ-MJBXVCDLSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980191104 696704990 /nfs/dbraw/zinc/70/49/90/696704990.db2.gz FHYAIHMXGXOORZ-MJBXVCDLSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980194163 696705804 /nfs/dbraw/zinc/70/58/04/696705804.db2.gz QEQLHFMKFQVZQV-IHRRRGAJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980194163 696705805 /nfs/dbraw/zinc/70/58/05/696705805.db2.gz QEQLHFMKFQVZQV-IHRRRGAJSA-N 2 2 322.840 1.921 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980226797 696712958 /nfs/dbraw/zinc/71/29/58/696712958.db2.gz IMTSRJSRGBOISP-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980226797 696712961 /nfs/dbraw/zinc/71/29/61/696712961.db2.gz IMTSRJSRGBOISP-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974685039 695711030 /nfs/dbraw/zinc/71/10/30/695711030.db2.gz JHZDAHSWEBPUFE-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974685039 695711033 /nfs/dbraw/zinc/71/10/33/695711033.db2.gz JHZDAHSWEBPUFE-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C ZINC000974685039 695711036 /nfs/dbraw/zinc/71/10/36/695711036.db2.gz JHZDAHSWEBPUFE-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C ZINC000974685039 695711038 /nfs/dbraw/zinc/71/10/38/695711038.db2.gz JHZDAHSWEBPUFE-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028746 695780050 /nfs/dbraw/zinc/78/00/50/695780050.db2.gz MSIANRCQPKZARR-GXTWGEPZSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028746 695780052 /nfs/dbraw/zinc/78/00/52/695780052.db2.gz MSIANRCQPKZARR-GXTWGEPZSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978415103 696378865 /nfs/dbraw/zinc/37/88/65/696378865.db2.gz XBFHPBHUBQFJFJ-YHUYYLMFSA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978415103 696378867 /nfs/dbraw/zinc/37/88/67/696378867.db2.gz XBFHPBHUBQFJFJ-YHUYYLMFSA-N 2 2 314.433 1.316 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981599725 696836092 /nfs/dbraw/zinc/83/60/92/696836092.db2.gz CXIXKMCGACSLOJ-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981599725 696836096 /nfs/dbraw/zinc/83/60/96/696836096.db2.gz CXIXKMCGACSLOJ-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629489 696849449 /nfs/dbraw/zinc/84/94/49/696849449.db2.gz 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C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000749243715 700153074 /nfs/dbraw/zinc/15/30/74/700153074.db2.gz XTRUKALCAUEKKE-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224981 698561055 /nfs/dbraw/zinc/56/10/55/698561055.db2.gz YLRVQRMFHCWEAY-CHWSQXEVSA-N 2 2 310.829 1.684 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629092 699050972 /nfs/dbraw/zinc/05/09/72/699050972.db2.gz MIQMLLYLOOZELM-KGLIPLIRSA-N 2 2 303.410 1.360 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629092 699050975 /nfs/dbraw/zinc/05/09/75/699050975.db2.gz MIQMLLYLOOZELM-KGLIPLIRSA-N 2 2 303.410 1.360 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000848546544 703562211 /nfs/dbraw/zinc/56/22/11/703562211.db2.gz AVXPJGFJEUNBIX-QGZVFWFLSA-N 2 2 300.406 1.686 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819023936 704053955 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302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516396 735894260 /nfs/dbraw/zinc/89/42/60/735894260.db2.gz JYNYCJQHPBTUEI-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716521 736271454 /nfs/dbraw/zinc/27/14/54/736271454.db2.gz FITFQVOYPOSCTR-FHERZECASA-N 2 2 320.437 1.521 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]12 ZINC001026311937 737333110 /nfs/dbraw/zinc/33/31/10/737333110.db2.gz NNBZRRRKAOTPIQ-QLFBSQMISA-N 2 2 308.385 1.408 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027244364 738124828 /nfs/dbraw/zinc/12/48/28/738124828.db2.gz BRJGITJTWGOJNO-OAHLLOKOSA-N 2 2 323.400 1.393 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979466 738900601 /nfs/dbraw/zinc/90/06/01/738900601.db2.gz DBNLEIMFNRUARO-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979466 738900602 /nfs/dbraw/zinc/90/06/02/738900602.db2.gz DBNLEIMFNRUARO-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980483 738903876 /nfs/dbraw/zinc/90/38/76/738903876.db2.gz SZMGXEMODIMOOZ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980483 738903879 /nfs/dbraw/zinc/90/38/79/738903879.db2.gz SZMGXEMODIMOOZ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639248 739830632 /nfs/dbraw/zinc/83/06/32/739830632.db2.gz VPIZOEXNXNOFER-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639248 739830640 /nfs/dbraw/zinc/83/06/40/739830640.db2.gz VPIZOEXNXNOFER-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088171384 741092902 /nfs/dbraw/zinc/09/29/02/741092902.db2.gz NKGKFZRTEDKCMA-CABCVRRESA-N 2 2 314.433 1.491 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088171384 741092903 /nfs/dbraw/zinc/09/29/03/741092903.db2.gz NKGKFZRTEDKCMA-CABCVRRESA-N 2 2 314.433 1.491 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582529 741898927 /nfs/dbraw/zinc/89/89/27/741898927.db2.gz UMIHSVJJJVXOBI-ZBFHGGJFSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582529 741898932 /nfs/dbraw/zinc/89/89/32/741898932.db2.gz UMIHSVJJJVXOBI-ZBFHGGJFSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075969249 742290616 /nfs/dbraw/zinc/29/06/16/742290616.db2.gz UTURAGIATRQNET-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075969249 742290617 /nfs/dbraw/zinc/29/06/17/742290617.db2.gz UTURAGIATRQNET-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)CC)C1 ZINC001030031442 743740863 /nfs/dbraw/zinc/74/08/63/743740863.db2.gz FCQKWFXPCOYCGX-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001030031442 743740867 /nfs/dbraw/zinc/74/08/67/743740867.db2.gz FCQKWFXPCOYCGX-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001030031442 743740869 /nfs/dbraw/zinc/74/08/69/743740869.db2.gz FCQKWFXPCOYCGX-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001030031442 743740875 /nfs/dbraw/zinc/74/08/75/743740875.db2.gz FCQKWFXPCOYCGX-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399085 744033836 /nfs/dbraw/zinc/03/38/36/744033836.db2.gz HKYKCYIOPUMZJN-YOEHRIQHSA-N 2 2 324.428 1.964 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185503556 744238521 /nfs/dbraw/zinc/23/85/21/744238521.db2.gz QYHWKGYWRGIOQB-JSGCOSHPSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001030688041 744464328 /nfs/dbraw/zinc/46/43/28/744464328.db2.gz NRUXQBXHQWSVKT-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158569 744673523 /nfs/dbraw/zinc/67/35/23/744673523.db2.gz KINNSYKDCOZXFE-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158569 744673524 /nfs/dbraw/zinc/67/35/24/744673524.db2.gz KINNSYKDCOZXFE-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158569 744673525 /nfs/dbraw/zinc/67/35/25/744673525.db2.gz KINNSYKDCOZXFE-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158569 744673526 /nfs/dbraw/zinc/67/35/26/744673526.db2.gz KINNSYKDCOZXFE-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC000992755100 745178843 /nfs/dbraw/zinc/17/88/43/745178843.db2.gz WKDRAXQSYVYDDW-HRCADAONSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000992755096 745178922 /nfs/dbraw/zinc/17/89/22/745178922.db2.gz WKDRAXQSYVYDDW-BZUAXINKSA-N 2 2 322.412 1.798 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018991 745406193 /nfs/dbraw/zinc/40/61/93/745406193.db2.gz IBXBMHSRGKDXEJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018991 745406194 /nfs/dbraw/zinc/40/61/94/745406194.db2.gz IBXBMHSRGKDXEJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018991 745406195 /nfs/dbraw/zinc/40/61/95/745406195.db2.gz IBXBMHSRGKDXEJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018991 745406196 /nfs/dbraw/zinc/40/61/96/745406196.db2.gz IBXBMHSRGKDXEJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238663 745850984 /nfs/dbraw/zinc/85/09/84/745850984.db2.gz CSKXBQMLJLNLRS-HUUCEWRRSA-N 2 2 300.406 1.314 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193999175 746261151 /nfs/dbraw/zinc/26/11/51/746261151.db2.gz YBIPLPDLZXYUCD-BZUAXINKSA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193999175 746261156 /nfs/dbraw/zinc/26/11/56/746261156.db2.gz YBIPLPDLZXYUCD-BZUAXINKSA-N 2 2 320.437 1.208 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568171 747250939 /nfs/dbraw/zinc/25/09/39/747250939.db2.gz FWAHWTSAMPLPGK-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568171 747250945 /nfs/dbraw/zinc/25/09/45/747250945.db2.gz FWAHWTSAMPLPGK-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001036115841 752185799 /nfs/dbraw/zinc/18/57/99/752185799.db2.gz QKJBECDLXFONAK-LSDHHAIUSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200368231 748217752 /nfs/dbraw/zinc/21/77/52/748217752.db2.gz ZRJPIDMKXUMYGT-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033097955 748257442 /nfs/dbraw/zinc/25/74/42/748257442.db2.gz ZKSLPGBHEJMCEP-CZUORRHYSA-N 2 2 317.437 1.509 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033097955 748257447 /nfs/dbraw/zinc/25/74/47/748257447.db2.gz ZKSLPGBHEJMCEP-CZUORRHYSA-N 2 2 317.437 1.509 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033097955 748257454 /nfs/dbraw/zinc/25/74/54/748257454.db2.gz ZKSLPGBHEJMCEP-CZUORRHYSA-N 2 2 317.437 1.509 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033097955 748257458 /nfs/dbraw/zinc/25/74/58/748257458.db2.gz ZKSLPGBHEJMCEP-CZUORRHYSA-N 2 2 317.437 1.509 20 30 DDEDLP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004476654 748466855 /nfs/dbraw/zinc/46/68/55/748466855.db2.gz YWRPYLFXZBNCOS-HZPDHXFCSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004476654 748466859 /nfs/dbraw/zinc/46/68/59/748466859.db2.gz YWRPYLFXZBNCOS-HZPDHXFCSA-N 2 2 306.454 1.553 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321827 748477852 /nfs/dbraw/zinc/47/78/52/748477852.db2.gz WWBZQNMYXXANCV-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007709409 752287332 /nfs/dbraw/zinc/28/73/32/752287332.db2.gz YZKUMSPXQSTMQP-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007709409 752287336 /nfs/dbraw/zinc/28/73/36/752287336.db2.gz YZKUMSPXQSTMQP-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201951841 748651869 /nfs/dbraw/zinc/65/18/69/748651869.db2.gz CJJKUILQGSJFOZ-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880716 748670880 /nfs/dbraw/zinc/67/08/80/748670880.db2.gz NIPGLCSSWCUNSW-YJNKXOJESA-N 2 2 300.406 1.307 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880716 748670882 /nfs/dbraw/zinc/67/08/82/748670882.db2.gz NIPGLCSSWCUNSW-YJNKXOJESA-N 2 2 300.406 1.307 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206482 748919192 /nfs/dbraw/zinc/91/91/92/748919192.db2.gz JTARYQIWTHMZJQ-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206482 748919195 /nfs/dbraw/zinc/91/91/95/748919195.db2.gz JTARYQIWTHMZJQ-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495840 749188094 /nfs/dbraw/zinc/18/80/94/749188094.db2.gz BVYRLTXWVWSSAE-OAGGEKHMSA-N 2 2 300.406 1.408 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495840 749188097 /nfs/dbraw/zinc/18/80/97/749188097.db2.gz BVYRLTXWVWSSAE-OAGGEKHMSA-N 2 2 300.406 1.408 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996268444 749465834 /nfs/dbraw/zinc/46/58/34/749465834.db2.gz BZHSMEXWAYLNDO-OCCSQVGLSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996561734 749686705 /nfs/dbraw/zinc/68/67/05/749686705.db2.gz JDWRREDHFRDGGK-ZDUSSCGKSA-N 2 2 310.829 1.840 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC=C ZINC001095556512 750038336 /nfs/dbraw/zinc/03/83/36/750038336.db2.gz VSUSOLOMDNNJPR-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC=C ZINC001095556512 750038341 /nfs/dbraw/zinc/03/83/41/750038341.db2.gz VSUSOLOMDNNJPR-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC=C ZINC001095556512 750038345 /nfs/dbraw/zinc/03/83/45/750038345.db2.gz VSUSOLOMDNNJPR-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC=C ZINC001095556512 750038352 /nfs/dbraw/zinc/03/83/52/750038352.db2.gz VSUSOLOMDNNJPR-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460252 762050377 /nfs/dbraw/zinc/05/03/77/762050377.db2.gz HSIJEDTYECWHFS-CABCVRRESA-N 2 2 300.406 1.051 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460252 762050380 /nfs/dbraw/zinc/05/03/80/762050380.db2.gz HSIJEDTYECWHFS-CABCVRRESA-N 2 2 300.406 1.051 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997185715 750678595 /nfs/dbraw/zinc/67/85/95/750678595.db2.gz IUMWYVRVTFXBDO-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032445216 750860745 /nfs/dbraw/zinc/86/07/45/750860745.db2.gz ZVKFGLALBWHPHN-KKUMJFAQSA-N 2 2 300.406 1.622 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032445216 750860753 /nfs/dbraw/zinc/86/07/53/750860753.db2.gz ZVKFGLALBWHPHN-KKUMJFAQSA-N 2 2 300.406 1.622 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032658285 752625066 /nfs/dbraw/zinc/62/50/66/752625066.db2.gz SPWZSNYGWLYOQQ-GJZGRUSLSA-N 2 2 300.406 1.315 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032658285 752625074 /nfs/dbraw/zinc/62/50/74/752625074.db2.gz SPWZSNYGWLYOQQ-GJZGRUSLSA-N 2 2 300.406 1.315 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC001039648299 762146815 /nfs/dbraw/zinc/14/68/15/762146815.db2.gz GXGYQFGLWOZAQC-BBWFWOEESA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039648299 762146818 /nfs/dbraw/zinc/14/68/18/762146818.db2.gz GXGYQFGLWOZAQC-BBWFWOEESA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039648299 762146820 /nfs/dbraw/zinc/14/68/20/762146820.db2.gz GXGYQFGLWOZAQC-BBWFWOEESA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039648299 762146821 /nfs/dbraw/zinc/14/68/21/762146821.db2.gz GXGYQFGLWOZAQC-BBWFWOEESA-N 2 2 303.450 1.558 20 30 DDEDLP N#Cc1c(F)c(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)c1F ZINC001169075484 762223208 /nfs/dbraw/zinc/22/32/08/762223208.db2.gz RTQDKXAIGAVZQW-ZCFIWIBFSA-N 2 2 314.242 1.162 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000825700 753965527 /nfs/dbraw/zinc/96/55/27/753965527.db2.gz QWOZPIUYFLJTDP-ZDUSSCGKSA-N 2 2 310.829 1.686 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032804151 754101748 /nfs/dbraw/zinc/10/17/48/754101748.db2.gz ZATKVBAGYKCBCN-OKZBNKHCSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032804151 754101750 /nfs/dbraw/zinc/10/17/50/754101750.db2.gz ZATKVBAGYKCBCN-OKZBNKHCSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032802611 754113601 /nfs/dbraw/zinc/11/36/01/754113601.db2.gz GQQUJJIMAPCKLD-YESZJQIVSA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032802611 754113603 /nfs/dbraw/zinc/11/36/03/754113603.db2.gz GQQUJJIMAPCKLD-YESZJQIVSA-N 2 2 303.450 1.415 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016252058 754242473 /nfs/dbraw/zinc/24/24/73/754242473.db2.gz QEPFOTSNXIKNHV-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016252058 754242475 /nfs/dbraw/zinc/24/24/75/754242475.db2.gz QEPFOTSNXIKNHV-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355158 755056301 /nfs/dbraw/zinc/05/63/01/755056301.db2.gz OBQMFXSHUXYSMZ-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355158 755056307 /nfs/dbraw/zinc/05/63/07/755056307.db2.gz OBQMFXSHUXYSMZ-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993335 755669013 /nfs/dbraw/zinc/66/90/13/755669013.db2.gz GVXRKIKHGOWSJI-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993335 755669015 /nfs/dbraw/zinc/66/90/15/755669015.db2.gz GVXRKIKHGOWSJI-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993335 755669016 /nfs/dbraw/zinc/66/90/16/755669016.db2.gz GVXRKIKHGOWSJI-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993335 755669017 /nfs/dbraw/zinc/66/90/17/755669017.db2.gz GVXRKIKHGOWSJI-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372472 757117047 /nfs/dbraw/zinc/11/70/47/757117047.db2.gz CRPPAJYKOCMDBP-XOUADPBQSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372472 757117052 /nfs/dbraw/zinc/11/70/52/757117052.db2.gz CRPPAJYKOCMDBP-XOUADPBQSA-N 2 2 300.406 1.353 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001016695209 757274644 /nfs/dbraw/zinc/27/46/44/757274644.db2.gz HJDAIDJXROEZBA-HUUCEWRRSA-N 2 2 312.417 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510541 762571916 /nfs/dbraw/zinc/57/19/16/762571916.db2.gz QCLFCFUABHYLKP-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510541 762571919 /nfs/dbraw/zinc/57/19/19/762571919.db2.gz QCLFCFUABHYLKP-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744018 757856152 /nfs/dbraw/zinc/85/61/52/757856152.db2.gz QDOMUBJANSMAJJ-RHSMWYFYSA-N 2 2 321.384 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744018 757856162 /nfs/dbraw/zinc/85/61/62/757856162.db2.gz QDOMUBJANSMAJJ-RHSMWYFYSA-N 2 2 321.384 1.047 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017618951 758086463 /nfs/dbraw/zinc/08/64/63/758086463.db2.gz WOZOCGJLJQDHGF-XHSDSOJGSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017618951 758086476 /nfs/dbraw/zinc/08/64/76/758086476.db2.gz WOZOCGJLJQDHGF-XHSDSOJGSA-N 2 2 312.417 1.459 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659151 758127775 /nfs/dbraw/zinc/12/77/75/758127775.db2.gz PIHRWVJSZIPOPB-NXOAAHMSSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659151 758127782 /nfs/dbraw/zinc/12/77/82/758127782.db2.gz PIHRWVJSZIPOPB-NXOAAHMSSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017659151 758127787 /nfs/dbraw/zinc/12/77/87/758127787.db2.gz PIHRWVJSZIPOPB-NXOAAHMSSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659151 758127793 /nfs/dbraw/zinc/12/77/93/758127793.db2.gz PIHRWVJSZIPOPB-NXOAAHMSSA-N 2 2 303.450 1.865 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017662483 758130701 /nfs/dbraw/zinc/13/07/01/758130701.db2.gz IOMODDOGBPJAGE-GASCZTMLSA-N 2 2 308.385 1.875 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017662483 758130709 /nfs/dbraw/zinc/13/07/09/758130709.db2.gz IOMODDOGBPJAGE-GASCZTMLSA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085249837 759198405 /nfs/dbraw/zinc/19/84/05/759198405.db2.gz TWHXHVMFHBIRMS-RRFJBIMHSA-N 2 2 300.406 1.096 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227357 759315000 /nfs/dbraw/zinc/31/50/00/759315000.db2.gz HFQCGVMAPDHAQO-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227357 759315009 /nfs/dbraw/zinc/31/50/09/759315009.db2.gz HFQCGVMAPDHAQO-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086124426 761030178 /nfs/dbraw/zinc/03/01/78/761030178.db2.gz QXPIPUNKMVNCBP-SOUVJXGZSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556101 761195438 /nfs/dbraw/zinc/19/54/38/761195438.db2.gz CRUSXUYZBKGIAZ-KRWDZBQOSA-N 2 2 308.385 1.700 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556101 761195442 /nfs/dbraw/zinc/19/54/42/761195442.db2.gz CRUSXUYZBKGIAZ-KRWDZBQOSA-N 2 2 308.385 1.700 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006293137 761270689 /nfs/dbraw/zinc/27/06/89/761270689.db2.gz WJNWIOZGWPVRKU-UHFFFAOYSA-N 2 2 302.422 1.633 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165028 761790326 /nfs/dbraw/zinc/79/03/26/761790326.db2.gz JRPFHQMYIOKXSY-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165028 761790332 /nfs/dbraw/zinc/79/03/32/761790332.db2.gz JRPFHQMYIOKXSY-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050554305 763747580 /nfs/dbraw/zinc/74/75/80/763747580.db2.gz SBBKNIDFZPGEBM-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001050554305 763747583 /nfs/dbraw/zinc/74/75/83/763747583.db2.gz SBBKNIDFZPGEBM-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246191 763812789 /nfs/dbraw/zinc/81/27/89/763812789.db2.gz CGNBZQCQEJZLTC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246191 763812794 /nfs/dbraw/zinc/81/27/94/763812794.db2.gz CGNBZQCQEJZLTC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313003 763901530 /nfs/dbraw/zinc/90/15/30/763901530.db2.gz GYGZIAAHHGXAFA-UONOGXRCSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313003 763901537 /nfs/dbraw/zinc/90/15/37/763901537.db2.gz GYGZIAAHHGXAFA-UONOGXRCSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034470 764310233 /nfs/dbraw/zinc/31/02/33/764310233.db2.gz ARSZVFLLGKLWAT-KBMXLJTQSA-N 2 2 318.421 1.185 20 30 DDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034470 764310238 /nfs/dbraw/zinc/31/02/38/764310238.db2.gz ARSZVFLLGKLWAT-KBMXLJTQSA-N 2 2 318.421 1.185 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001052457003 765847368 /nfs/dbraw/zinc/84/73/68/765847368.db2.gz NRNAVLPSKWVDBF-HOTGVXAUSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)CC1 ZINC001052457003 765847373 /nfs/dbraw/zinc/84/73/73/765847373.db2.gz NRNAVLPSKWVDBF-HOTGVXAUSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=C)Cl)CC1 ZINC001052457003 765847377 /nfs/dbraw/zinc/84/73/77/765847377.db2.gz NRNAVLPSKWVDBF-HOTGVXAUSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=C)Cl)CC1 ZINC001052457003 765847381 /nfs/dbraw/zinc/84/73/81/765847381.db2.gz NRNAVLPSKWVDBF-HOTGVXAUSA-N 2 2 323.868 1.807 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724264 766065002 /nfs/dbraw/zinc/06/50/02/766065002.db2.gz SQLKYHKQOLOEPR-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724264 766065008 /nfs/dbraw/zinc/06/50/08/766065008.db2.gz SQLKYHKQOLOEPR-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045480741 766338172 /nfs/dbraw/zinc/33/81/72/766338172.db2.gz HBNPEGAEVFRLDP-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491442 767555255 /nfs/dbraw/zinc/55/52/55/767555255.db2.gz SQKMTAAFNJJDFR-OCCSQVGLSA-N 2 2 304.438 1.884 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491442 767555259 /nfs/dbraw/zinc/55/52/59/767555259.db2.gz SQKMTAAFNJJDFR-OCCSQVGLSA-N 2 2 304.438 1.884 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434260 767562220 /nfs/dbraw/zinc/56/22/20/767562220.db2.gz KTCXCXZNAJJYMK-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434260 767562225 /nfs/dbraw/zinc/56/22/25/767562225.db2.gz KTCXCXZNAJJYMK-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784511 769194429 /nfs/dbraw/zinc/19/44/29/769194429.db2.gz XMEZZHNQZYLSHI-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784511 769194432 /nfs/dbraw/zinc/19/44/32/769194432.db2.gz XMEZZHNQZYLSHI-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527821 769567913 /nfs/dbraw/zinc/56/79/13/769567913.db2.gz JPPFCXUQADHXFF-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527821 769567920 /nfs/dbraw/zinc/56/79/20/769567920.db2.gz JPPFCXUQADHXFF-HUUCEWRRSA-N 2 2 316.449 1.917 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133364082 769748336 /nfs/dbraw/zinc/74/83/36/769748336.db2.gz SHYQUJJIIWAYNA-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134045744 770595056 /nfs/dbraw/zinc/59/50/56/770595056.db2.gz OSVNDSXTVYFNNW-HZPDHXFCSA-N 2 2 323.400 1.301 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049846230 771203644 /nfs/dbraw/zinc/20/36/44/771203644.db2.gz FRGZFADSVMASDT-ZIAGYGMSSA-N 2 2 302.422 1.939 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049846230 771203646 /nfs/dbraw/zinc/20/36/46/771203646.db2.gz FRGZFADSVMASDT-ZIAGYGMSSA-N 2 2 302.422 1.939 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074132 771309070 /nfs/dbraw/zinc/30/90/70/771309070.db2.gz JDSDGPSSUCCGKW-QWHCGFSZSA-N 2 2 312.845 1.978 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001091103838 772527151 /nfs/dbraw/zinc/52/71/51/772527151.db2.gz JQIDIFHOMKRVGS-MOKVOYLWSA-N 2 2 322.840 1.682 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092978462 774336378 /nfs/dbraw/zinc/33/63/78/774336378.db2.gz MFOJTJQLYSAQKS-KLHDSHLOSA-N 2 2 316.449 1.784 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092978462 774336385 /nfs/dbraw/zinc/33/63/85/774336385.db2.gz MFOJTJQLYSAQKS-KLHDSHLOSA-N 2 2 316.449 1.784 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048478 774793972 /nfs/dbraw/zinc/79/39/72/774793972.db2.gz HATUANRIAAOZAJ-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048478 774793973 /nfs/dbraw/zinc/79/39/73/774793973.db2.gz HATUANRIAAOZAJ-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100049243 775619507 /nfs/dbraw/zinc/61/95/07/775619507.db2.gz ZHIQVJASIJRMMY-LSDHHAIUSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100049243 775619513 /nfs/dbraw/zinc/61/95/13/775619513.db2.gz ZHIQVJASIJRMMY-LSDHHAIUSA-N 2 2 320.437 1.250 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100458022 776182972 /nfs/dbraw/zinc/18/29/72/776182972.db2.gz KLDMKWLNAHTBDF-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970263 776947239 /nfs/dbraw/zinc/94/72/39/776947239.db2.gz DSHBYDJUJXWMJB-ZNMIVQPWSA-N 2 2 322.453 1.962 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970263 776947246 /nfs/dbraw/zinc/94/72/46/776947246.db2.gz DSHBYDJUJXWMJB-ZNMIVQPWSA-N 2 2 322.453 1.962 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176774759 778233691 /nfs/dbraw/zinc/23/36/91/778233691.db2.gz HPNYTLOZXJUUMP-RDJZCZTQSA-N 2 2 316.449 1.582 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070769 778617841 /nfs/dbraw/zinc/61/78/41/778617841.db2.gz PSKCBSJYCPJIGV-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103070769 778617846 /nfs/dbraw/zinc/61/78/46/778617846.db2.gz PSKCBSJYCPJIGV-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070769 778617850 /nfs/dbraw/zinc/61/78/50/778617850.db2.gz PSKCBSJYCPJIGV-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070769 778617855 /nfs/dbraw/zinc/61/78/55/778617855.db2.gz PSKCBSJYCPJIGV-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106731 778643561 /nfs/dbraw/zinc/64/35/61/778643561.db2.gz AUFJPNKOJYZRPY-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106731 778643562 /nfs/dbraw/zinc/64/35/62/778643562.db2.gz AUFJPNKOJYZRPY-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106731 778643563 /nfs/dbraw/zinc/64/35/63/778643563.db2.gz AUFJPNKOJYZRPY-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106731 778643567 /nfs/dbraw/zinc/64/35/67/778643567.db2.gz AUFJPNKOJYZRPY-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823873 779168688 /nfs/dbraw/zinc/16/86/88/779168688.db2.gz AYDKWPQSQPSCDK-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823873 779168691 /nfs/dbraw/zinc/16/86/91/779168691.db2.gz AYDKWPQSQPSCDK-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864168 779202927 /nfs/dbraw/zinc/20/29/27/779202927.db2.gz DLPFKQOTCGZNFK-MRXNPFEDSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180033478 779598418 /nfs/dbraw/zinc/59/84/18/779598418.db2.gz SJJYFOCLFLIOHD-HOCLYGCPSA-N 2 2 320.437 1.134 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001266497974 836350882 /nfs/dbraw/zinc/35/08/82/836350882.db2.gz OJBWWPPXJAHSHA-GOSISDBHSA-N 2 2 322.412 1.515 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001266497974 836350891 /nfs/dbraw/zinc/35/08/91/836350891.db2.gz OJBWWPPXJAHSHA-GOSISDBHSA-N 2 2 322.412 1.515 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266607576 836527056 /nfs/dbraw/zinc/52/70/56/836527056.db2.gz CJHPJVURAPUEGX-KKUMJFAQSA-N 2 2 304.438 1.944 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001266872521 836978041 /nfs/dbraw/zinc/97/80/41/836978041.db2.gz MHVVEZHBORUCHM-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586067 838370094 /nfs/dbraw/zinc/37/00/94/838370094.db2.gz JIVYWRXKHQIISA-HZPDHXFCSA-N 2 2 314.433 1.249 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586067 838370105 /nfs/dbraw/zinc/37/01/05/838370105.db2.gz JIVYWRXKHQIISA-HZPDHXFCSA-N 2 2 314.433 1.249 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267789283 838983132 /nfs/dbraw/zinc/98/31/32/838983132.db2.gz CXKHGPFAOYTPHN-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267789283 838983139 /nfs/dbraw/zinc/98/31/39/838983139.db2.gz CXKHGPFAOYTPHN-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP CC#CC[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001267940174 839226382 /nfs/dbraw/zinc/22/63/82/839226382.db2.gz DXICXXXXDQRXDM-UHFFFAOYSA-N 2 2 324.428 1.782 20 30 DDEDLP C#CC[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001267938787 839227916 /nfs/dbraw/zinc/22/79/16/839227916.db2.gz KDKIXVJLNAUVSH-HNNXBMFYSA-N 2 2 310.401 1.873 20 30 DDEDLP CC#CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268065494 839639020 /nfs/dbraw/zinc/63/90/20/839639020.db2.gz YYILCKMYRPAJEM-AWEZNQCLSA-N 2 2 302.422 1.222 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270228262 842402508 /nfs/dbraw/zinc/40/25/08/842402508.db2.gz HQJWFDWBDCWHOI-GOEBONIOSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001271341911 843508759 /nfs/dbraw/zinc/50/87/59/843508759.db2.gz UDIWCBRALGNQDT-MRXNPFEDSA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001271449801 843612653 /nfs/dbraw/zinc/61/26/53/843612653.db2.gz RURRFMUSPJZJDB-GDBMZVCRSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034250872 848167664 /nfs/dbraw/zinc/16/76/64/848167664.db2.gz XWVNUKZZTFKSKO-GSNCDVCBSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC001034250872 848167668 /nfs/dbraw/zinc/16/76/68/848167668.db2.gz XWVNUKZZTFKSKO-GSNCDVCBSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C/C=C\Cl)C1 ZINC001034250872 848167674 /nfs/dbraw/zinc/16/76/74/848167674.db2.gz XWVNUKZZTFKSKO-GSNCDVCBSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C/C=C\Cl)C1 ZINC001034250872 848167680 /nfs/dbraw/zinc/16/76/80/848167680.db2.gz XWVNUKZZTFKSKO-GSNCDVCBSA-N 2 2 323.868 1.807 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001410212499 848904263 /nfs/dbraw/zinc/90/42/63/848904263.db2.gz VVLHWDFZCFHKDU-IHRRRGAJSA-N 2 2 322.840 1.682 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273277591 849324483 /nfs/dbraw/zinc/32/44/83/849324483.db2.gz VYUABKPNCKBYJQ-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557913 856974480 /nfs/dbraw/zinc/97/44/80/856974480.db2.gz LRTDKJDHCFRUKL-ARFHVFGLSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557913 856974486 /nfs/dbraw/zinc/97/44/86/856974486.db2.gz LRTDKJDHCFRUKL-ARFHVFGLSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049559091 856975123 /nfs/dbraw/zinc/97/51/23/856975123.db2.gz UQQCMDQBYZLQJB-BHYGNILZSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049559091 856975128 /nfs/dbraw/zinc/97/51/28/856975128.db2.gz UQQCMDQBYZLQJB-BHYGNILZSA-N 2 2 314.433 1.697 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021813 858009646 /nfs/dbraw/zinc/00/96/46/858009646.db2.gz ONJSYLSDJKFQSG-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021813 858009656 /nfs/dbraw/zinc/00/96/56/858009656.db2.gz ONJSYLSDJKFQSG-HNNXBMFYSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001276388367 858365933 /nfs/dbraw/zinc/36/59/33/858365933.db2.gz HDHIFHOTQZOVEF-NVXWUHKLSA-N 2 2 316.449 1.930 20 30 DDEDLP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCC1 ZINC001329144064 863499155 /nfs/dbraw/zinc/49/91/55/863499155.db2.gz YNKZPZPFVHQTSA-UHFFFAOYSA-N 2 2 300.406 1.961 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001329839087 863887466 /nfs/dbraw/zinc/88/74/66/863887466.db2.gz WQLNWVABMNBAHQ-UHFFFAOYSA-N 2 2 302.422 1.705 20 30 DDEDLP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001330598371 864477658 /nfs/dbraw/zinc/47/76/58/864477658.db2.gz AXNKIBYVGQFZSJ-SHTZXODSSA-N 2 2 316.449 1.822 20 30 DDEDLP N#Cc1cc(Cl)cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258644 864521312 /nfs/dbraw/zinc/52/13/12/864521312.db2.gz FHBJWQXPSGZVON-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258644 864521320 /nfs/dbraw/zinc/52/13/20/864521320.db2.gz FHBJWQXPSGZVON-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cnc2cc[nH]c(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c1-2 ZINC001158268863 864528068 /nfs/dbraw/zinc/52/80/68/864528068.db2.gz NHYFNSARXRUTQE-ZDUSSCGKSA-N 2 2 310.405 1.436 20 30 DDEDLP N#Cc1cnc2cc[nH]c(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c1-2 ZINC001158268863 864528075 /nfs/dbraw/zinc/52/80/75/864528075.db2.gz NHYFNSARXRUTQE-ZDUSSCGKSA-N 2 2 310.405 1.436 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158486229 864683153 /nfs/dbraw/zinc/68/31/53/864683153.db2.gz IGQOLCVOJNYZPW-UHFFFAOYSA-N 2 2 304.438 1.824 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331293143 864994005 /nfs/dbraw/zinc/99/40/05/864994005.db2.gz ALRGFJRVFKBJQQ-INIZCTEOSA-N 2 2 316.449 1.777 20 30 DDEDLP C=CCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821918 866134255 /nfs/dbraw/zinc/13/42/55/866134255.db2.gz SBRYQGDJEVNOIE-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821918 866134256 /nfs/dbraw/zinc/13/42/56/866134256.db2.gz SBRYQGDJEVNOIE-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001319922834 866385896 /nfs/dbraw/zinc/38/58/96/866385896.db2.gz SJUWITLQCKBLBS-CABCVRRESA-N 2 2 304.438 1.752 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001324749279 867495820 /nfs/dbraw/zinc/49/58/20/867495820.db2.gz AFZKTOWZGUJYOG-YOEHRIQHSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325052444 867724423 /nfs/dbraw/zinc/72/44/23/867724423.db2.gz YNYZLXKVLLYJDF-ZDUSSCGKSA-N 2 2 312.364 1.451 20 30 DDEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325052444 867724431 /nfs/dbraw/zinc/72/44/31/867724431.db2.gz YNYZLXKVLLYJDF-ZDUSSCGKSA-N 2 2 312.364 1.451 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325427985 868021529 /nfs/dbraw/zinc/02/15/29/868021529.db2.gz KWFAMTDWSJXYAD-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277102858 882229542 /nfs/dbraw/zinc/22/95/42/882229542.db2.gz YTNPWKZAMQIZRK-AWEZNQCLSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001339867732 870745778 /nfs/dbraw/zinc/74/57/78/870745778.db2.gz QMQVEGCTPUEBEF-UHFFFAOYSA-N 2 2 316.453 1.344 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317421441 870799176 /nfs/dbraw/zinc/79/91/76/870799176.db2.gz BIFIEPRSSGPGEC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317421441 870799180 /nfs/dbraw/zinc/79/91/80/870799180.db2.gz BIFIEPRSSGPGEC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317421441 870799187 /nfs/dbraw/zinc/79/91/87/870799187.db2.gz BIFIEPRSSGPGEC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317421441 870799196 /nfs/dbraw/zinc/79/91/96/870799196.db2.gz BIFIEPRSSGPGEC-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205348792 871506700 /nfs/dbraw/zinc/50/67/00/871506700.db2.gz IAHDHXRUBYKTSD-UHFFFAOYSA-N 2 2 316.449 1.776 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001341697496 871782038 /nfs/dbraw/zinc/78/20/38/871782038.db2.gz RPBHHNGBYQSQQP-HNNXBMFYSA-N 2 2 315.417 1.123 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206956143 872844397 /nfs/dbraw/zinc/84/43/97/872844397.db2.gz XFGWCNJQEXQVLJ-KRWDZBQOSA-N 2 2 316.449 1.699 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227028765 882783106 /nfs/dbraw/zinc/78/31/06/882783106.db2.gz MKHGOXVOBLKFPJ-HZPDHXFCSA-N 2 2 315.417 1.673 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005935 876538381 /nfs/dbraw/zinc/53/83/81/876538381.db2.gz LKXZJJXEOHMIMT-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005935 876538396 /nfs/dbraw/zinc/53/83/96/876538396.db2.gz LKXZJJXEOHMIMT-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP N#Cc1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(OC(F)(F)F)c1 ZINC001218841332 877761981 /nfs/dbraw/zinc/76/19/81/877761981.db2.gz YBJXVPSMEHQREF-WPRPVWTQSA-N 2 2 314.267 1.085 20 30 DDEDLP C(#Cc1ccccc1)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001355253932 878477136 /nfs/dbraw/zinc/47/71/36/878477136.db2.gz BXSGGKQMGMFOIN-IBGZPJMESA-N 2 2 313.445 1.034 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609506 879129425 /nfs/dbraw/zinc/12/94/25/879129425.db2.gz PLJJFNNIDXWVDJ-RDJZCZTQSA-N 2 2 317.433 1.424 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609506 879129437 /nfs/dbraw/zinc/12/94/37/879129437.db2.gz PLJJFNNIDXWVDJ-RDJZCZTQSA-N 2 2 317.433 1.424 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001374391852 912704142 /nfs/dbraw/zinc/70/41/42/912704142.db2.gz APKNASZUXOISDG-DOMZBBRYSA-N 2 2 324.856 1.932 20 30 DDEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CC[NH+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228945449 883741185 /nfs/dbraw/zinc/74/11/85/883741185.db2.gz VFTZAYPQHWFIPQ-PFJGLKMASA-N 2 2 300.402 1.666 20 30 DDEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CC[NH+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228945449 883741197 /nfs/dbraw/zinc/74/11/97/883741197.db2.gz VFTZAYPQHWFIPQ-PFJGLKMASA-N 2 2 300.402 1.666 20 30 DDEDLP C[NH+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CC[N@@H+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228945449 883741206 /nfs/dbraw/zinc/74/12/06/883741206.db2.gz VFTZAYPQHWFIPQ-PFJGLKMASA-N 2 2 300.402 1.666 20 30 DDEDLP C[NH+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)CC[N@H+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228945449 883741218 /nfs/dbraw/zinc/74/12/18/883741218.db2.gz VFTZAYPQHWFIPQ-PFJGLKMASA-N 2 2 300.402 1.666 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC001232371235 886316472 /nfs/dbraw/zinc/31/64/72/886316472.db2.gz SGUBDKQOVWIAMB-UHFFFAOYSA-N 2 2 315.465 1.455 20 30 DDEDLP N#CCCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277945243 888643025 /nfs/dbraw/zinc/64/30/25/888643025.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 3 2 301.438 1.831 20 30 DDEDLP N#CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277945243 888643032 /nfs/dbraw/zinc/64/30/32/888643032.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 3 2 301.438 1.831 20 30 DDEDLP N#CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277945243 888643036 /nfs/dbraw/zinc/64/30/36/888643036.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 3 2 301.438 1.831 20 30 DDEDLP N#CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277945243 888643040 /nfs/dbraw/zinc/64/30/40/888643040.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 3 2 301.438 1.831 20 30 DDEDLP Cn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2cc(C#N)ccc21 ZINC001236000039 889056339 /nfs/dbraw/zinc/05/63/39/889056339.db2.gz QHZWTCGKGOBFBK-MVVMVCHASA-N 2 2 310.401 1.455 20 30 DDEDLP Cn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2cc(C#N)ccc21 ZINC001236000039 889056343 /nfs/dbraw/zinc/05/63/43/889056343.db2.gz QHZWTCGKGOBFBK-MVVMVCHASA-N 2 2 310.401 1.455 20 30 DDEDLP COc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)ccc1C#N ZINC001238409584 890201677 /nfs/dbraw/zinc/20/16/77/890201677.db2.gz NWGDKMPQGDHQSC-UHFFFAOYSA-N 2 2 316.449 1.636 20 30 DDEDLP COc1ccc(C2([NH2+][C@H]3CCN[C@H](C#N)C3)CC[NH2+]CC2)cc1 ZINC001246382186 892586046 /nfs/dbraw/zinc/58/60/46/892586046.db2.gz ZATJCJRPBKSAMJ-HOTGVXAUSA-N 2 2 314.433 1.508 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366340784 893232650 /nfs/dbraw/zinc/23/26/50/893232650.db2.gz GBLKZKNPBALALN-ZDUSSCGKSA-N 2 2 311.389 1.129 20 30 DDEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252141833 895029102 /nfs/dbraw/zinc/02/91/02/895029102.db2.gz PMQHSQSSBMFNPC-CABCVRRESA-N 2 2 310.442 1.507 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252594777 895294877 /nfs/dbraw/zinc/29/48/77/895294877.db2.gz BLKSMHQQGPIHJL-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252594777 895294889 /nfs/dbraw/zinc/29/48/89/895294889.db2.gz BLKSMHQQGPIHJL-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252594777 895294903 /nfs/dbraw/zinc/29/49/03/895294903.db2.gz BLKSMHQQGPIHJL-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252594777 895294920 /nfs/dbraw/zinc/29/49/20/895294920.db2.gz BLKSMHQQGPIHJL-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001252950223 895575090 /nfs/dbraw/zinc/57/50/90/895575090.db2.gz GRKZTWGGPPMJJJ-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001252950223 895575098 /nfs/dbraw/zinc/57/50/98/895575098.db2.gz GRKZTWGGPPMJJJ-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP C=C[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001253575354 895900432 /nfs/dbraw/zinc/90/04/32/895900432.db2.gz ABNDVBHUFKQZDL-INIZCTEOSA-N 2 2 310.438 1.273 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663264 896558695 /nfs/dbraw/zinc/55/86/95/896558695.db2.gz PFWMALICZRYUOS-XOYOTBSWSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663264 896558707 /nfs/dbraw/zinc/55/87/07/896558707.db2.gz PFWMALICZRYUOS-XOYOTBSWSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663264 896558721 /nfs/dbraw/zinc/55/87/21/896558721.db2.gz PFWMALICZRYUOS-XOYOTBSWSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663264 896558735 /nfs/dbraw/zinc/55/87/35/896558735.db2.gz PFWMALICZRYUOS-XOYOTBSWSA-N 2 2 313.449 1.866 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278977675 897620857 /nfs/dbraw/zinc/62/08/57/897620857.db2.gz COHKYOBNCQBJLJ-CABCVRRESA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(NCC)c2)C1 ZINC001263747625 900691511 /nfs/dbraw/zinc/69/15/11/900691511.db2.gz WBUSRKXEIZBPHX-OAHLLOKOSA-N 2 2 315.421 1.410 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(NCC)c2)C1 ZINC001263747625 900691520 /nfs/dbraw/zinc/69/15/20/900691520.db2.gz WBUSRKXEIZBPHX-OAHLLOKOSA-N 2 2 315.421 1.410 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001264374465 901054724 /nfs/dbraw/zinc/05/47/24/901054724.db2.gz IAUCJKGNMMDBIG-MRXNPFEDSA-N 2 2 302.422 1.528 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001264374465 901054734 /nfs/dbraw/zinc/05/47/34/901054734.db2.gz IAUCJKGNMMDBIG-MRXNPFEDSA-N 2 2 302.422 1.528 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001264395261 901085069 /nfs/dbraw/zinc/08/50/69/901085069.db2.gz PCRQGPOJGWEHPZ-SOUVJXGZSA-N 2 2 302.422 1.506 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001265197511 901691455 /nfs/dbraw/zinc/69/14/55/901691455.db2.gz SIQNZNOXWLWFFX-OAHLLOKOSA-N 2 2 302.422 1.780 20 30 DDEDLP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266082864 902905869 /nfs/dbraw/zinc/90/58/69/902905869.db2.gz OMVCKEWZZKSHHB-HUUCEWRRSA-N 2 2 302.422 1.375 20 30 DDEDLP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266082864 902905874 /nfs/dbraw/zinc/90/58/74/902905874.db2.gz OMVCKEWZZKSHHB-HUUCEWRRSA-N 2 2 302.422 1.375 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266226024 903148666 /nfs/dbraw/zinc/14/86/66/903148666.db2.gz WNJXEFAVFZEEND-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266226024 903148671 /nfs/dbraw/zinc/14/86/71/903148671.db2.gz WNJXEFAVFZEEND-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001392061483 903201152 /nfs/dbraw/zinc/20/11/52/903201152.db2.gz IPWDYPXPQIDZLH-CYBMUJFWSA-N 2 2 324.856 1.951 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)cc1 ZINC001393567797 907351990 /nfs/dbraw/zinc/35/19/90/907351990.db2.gz AQGSVAGNGFCJLW-UHFFFAOYSA-N 2 2 323.400 1.583 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001284072506 908428322 /nfs/dbraw/zinc/42/83/22/908428322.db2.gz RWTZJPSPUFXSRJ-NVXWUHKLSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001284072506 908428327 /nfs/dbraw/zinc/42/83/27/908428327.db2.gz RWTZJPSPUFXSRJ-NVXWUHKLSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001284377655 908913194 /nfs/dbraw/zinc/91/31/94/908913194.db2.gz YMMUBQHPHTYVEE-CMPLNLGQSA-N 2 2 316.327 1.365 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)[N@H+](C)C1 ZINC000329121857 539301230 /nfs/dbraw/zinc/30/12/30/539301230.db2.gz KQMDRTJQWGCVNM-KBPBESRZSA-N 2 2 321.425 1.065 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)[N@@H+](C)C1 ZINC000329121857 539301231 /nfs/dbraw/zinc/30/12/31/539301231.db2.gz KQMDRTJQWGCVNM-KBPBESRZSA-N 2 2 321.425 1.065 20 30 DDEDLP C=CC[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638677 365972894 /nfs/dbraw/zinc/97/28/94/365972894.db2.gz OHPDTZLJWAJGEU-HOTGVXAUSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638677 365972901 /nfs/dbraw/zinc/97/29/01/365972901.db2.gz OHPDTZLJWAJGEU-HOTGVXAUSA-N 2 2 320.481 1.763 20 30 DDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070925333 353186252 /nfs/dbraw/zinc/18/62/52/353186252.db2.gz PJVRSHIXSFOYMT-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000174417578 198333122 /nfs/dbraw/zinc/33/31/22/198333122.db2.gz VGZBWCKUDHEVIJ-AWEZNQCLSA-N 2 2 303.406 1.625 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000092802348 353870962 /nfs/dbraw/zinc/87/09/62/353870962.db2.gz NJOMGEMPDNRUKL-OAHLLOKOSA-N 2 2 302.378 1.297 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000092802348 353870965 /nfs/dbraw/zinc/87/09/65/353870965.db2.gz NJOMGEMPDNRUKL-OAHLLOKOSA-N 2 2 302.378 1.297 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579489612 354719566 /nfs/dbraw/zinc/71/95/66/354719566.db2.gz AUBVXBXICFVTSE-CPUCHLNUSA-N 2 2 317.437 1.652 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579489612 354719570 /nfs/dbraw/zinc/71/95/70/354719570.db2.gz AUBVXBXICFVTSE-CPUCHLNUSA-N 2 2 317.437 1.652 20 30 DDEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734058 355373763 /nfs/dbraw/zinc/37/37/63/355373763.db2.gz ZIEFKMBPCQILKW-HZPDHXFCSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734058 355373766 /nfs/dbraw/zinc/37/37/66/355373766.db2.gz ZIEFKMBPCQILKW-HZPDHXFCSA-N 2 2 303.406 1.176 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593418227 355879852 /nfs/dbraw/zinc/87/98/52/355879852.db2.gz BTQXCGVSBYHEHU-UHFFFAOYSA-N 2 2 317.437 1.456 20 30 DDEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000593645365 355953090 /nfs/dbraw/zinc/95/30/90/355953090.db2.gz HZMAWGYEKAMOEH-UHFFFAOYSA-N 2 2 300.410 1.668 20 30 DDEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000593645365 355953093 /nfs/dbraw/zinc/95/30/93/355953093.db2.gz HZMAWGYEKAMOEH-UHFFFAOYSA-N 2 2 300.410 1.668 20 30 DDEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccn1 ZINC000595468678 356505293 /nfs/dbraw/zinc/50/52/93/356505293.db2.gz BKUPHZNYSGHKSO-QGZVFWFLSA-N 2 2 300.406 1.640 20 30 DDEDLP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccn1 ZINC000595468678 356505299 /nfs/dbraw/zinc/50/52/99/356505299.db2.gz BKUPHZNYSGHKSO-QGZVFWFLSA-N 2 2 300.406 1.640 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599474499 357949788 /nfs/dbraw/zinc/94/97/88/357949788.db2.gz SXRBYFJZCOYQPX-UHFFFAOYSA-N 2 2 315.417 1.734 20 30 DDEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429599 359635002 /nfs/dbraw/zinc/63/50/02/359635002.db2.gz YWYAXFIPXYNSEY-ZACQAIPSSA-N 2 2 306.454 1.065 20 30 DDEDLP C[NH+]1CCC([N@H+](CCO)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000610930498 360573526 /nfs/dbraw/zinc/57/35/26/360573526.db2.gz WXRSEMLNJXFBKC-UHFFFAOYSA-N 2 2 313.405 1.094 20 30 DDEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000610930498 360573531 /nfs/dbraw/zinc/57/35/31/360573531.db2.gz WXRSEMLNJXFBKC-UHFFFAOYSA-N 2 2 313.405 1.094 20 30 DDEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCOCC1 ZINC000330282361 223098682 /nfs/dbraw/zinc/09/86/82/223098682.db2.gz VHWUECNRVIFGFE-OAHLLOKOSA-N 2 2 305.378 1.670 20 30 DDEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCOCC1 ZINC000330282361 223098684 /nfs/dbraw/zinc/09/86/84/223098684.db2.gz VHWUECNRVIFGFE-OAHLLOKOSA-N 2 2 305.378 1.670 20 30 DDEDLP C[NH+](C)[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330540604 223125149 /nfs/dbraw/zinc/12/51/49/223125149.db2.gz ZGWFFFFMHLIVLU-JTQLQIEISA-N 2 2 319.331 1.495 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354204848 285036638 /nfs/dbraw/zinc/03/66/38/285036638.db2.gz PQGVOEPCHACHGH-OAGGEKHMSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354204848 285036643 /nfs/dbraw/zinc/03/66/43/285036643.db2.gz PQGVOEPCHACHGH-OAGGEKHMSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354204848 285036650 /nfs/dbraw/zinc/03/66/50/285036650.db2.gz PQGVOEPCHACHGH-OAGGEKHMSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354204848 285036652 /nfs/dbraw/zinc/03/66/52/285036652.db2.gz PQGVOEPCHACHGH-OAGGEKHMSA-N 2 2 308.470 1.799 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836697 406942759 /nfs/dbraw/zinc/94/27/59/406942759.db2.gz UKJPHFBWZDPPMC-AEFFLSMTSA-N 2 2 320.481 1.849 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836697 406942761 /nfs/dbraw/zinc/94/27/61/406942761.db2.gz UKJPHFBWZDPPMC-AEFFLSMTSA-N 2 2 320.481 1.849 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000079720677 407061341 /nfs/dbraw/zinc/06/13/41/407061341.db2.gz JKGBXTLRFNTXSE-UHFFFAOYSA-N 2 2 300.406 1.200 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000103191926 407332903 /nfs/dbraw/zinc/33/29/03/407332903.db2.gz QOCRQVFVVNICAP-SFHVURJKSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000103191926 407332904 /nfs/dbraw/zinc/33/29/04/407332904.db2.gz QOCRQVFVVNICAP-SFHVURJKSA-N 2 2 313.445 1.847 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000124325781 407354932 /nfs/dbraw/zinc/35/49/32/407354932.db2.gz MCFNEESSXROANN-INIZCTEOSA-N 2 2 314.389 1.517 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000109794011 407397684 /nfs/dbraw/zinc/39/76/84/407397684.db2.gz NFLZGJYHQQCLBV-MRXNPFEDSA-N 2 2 301.394 1.328 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1cccc(Cl)c1 ZINC000114087153 407538826 /nfs/dbraw/zinc/53/88/26/407538826.db2.gz PTPIGGRPSUKYLP-OAHLLOKOSA-N 2 2 324.856 1.678 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1cccc(Cl)c1 ZINC000114087153 407538830 /nfs/dbraw/zinc/53/88/30/407538830.db2.gz PTPIGGRPSUKYLP-OAHLLOKOSA-N 2 2 324.856 1.678 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000171739293 407754693 /nfs/dbraw/zinc/75/46/93/407754693.db2.gz XICSCMKEUHZVBG-UHFFFAOYSA-N 2 2 317.437 1.880 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268676382 408152535 /nfs/dbraw/zinc/15/25/35/408152535.db2.gz VUJPAZLCAAGIDL-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268676382 408152540 /nfs/dbraw/zinc/15/25/40/408152540.db2.gz VUJPAZLCAAGIDL-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674241 408355000 /nfs/dbraw/zinc/35/50/00/408355000.db2.gz KZZMVZVQSMJIGA-UNEWFSDZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674241 408355003 /nfs/dbraw/zinc/35/50/03/408355003.db2.gz KZZMVZVQSMJIGA-UNEWFSDZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674241 408355007 /nfs/dbraw/zinc/35/50/07/408355007.db2.gz KZZMVZVQSMJIGA-UNEWFSDZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674241 408355009 /nfs/dbraw/zinc/35/50/09/408355009.db2.gz KZZMVZVQSMJIGA-UNEWFSDZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247243588 408435868 /nfs/dbraw/zinc/43/58/68/408435868.db2.gz ZHYIFAGUATZHBQ-JKSUJKDBSA-N 2 2 306.454 1.697 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247243588 408435874 /nfs/dbraw/zinc/43/58/74/408435874.db2.gz ZHYIFAGUATZHBQ-JKSUJKDBSA-N 2 2 306.454 1.697 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000328805395 409983425 /nfs/dbraw/zinc/98/34/25/409983425.db2.gz HRYVTJJYZGDOQX-ZIAGYGMSSA-N 2 2 317.437 1.608 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328805395 409983429 /nfs/dbraw/zinc/98/34/29/409983429.db2.gz HRYVTJJYZGDOQX-ZIAGYGMSSA-N 2 2 317.437 1.608 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000328829217 409989047 /nfs/dbraw/zinc/98/90/47/409989047.db2.gz JFWIDUYMTWEGHK-UHFFFAOYSA-N 2 2 317.437 1.687 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329267639 410202669 /nfs/dbraw/zinc/20/26/69/410202669.db2.gz GCDIXHHZSQLEBL-VNQPRFMTSA-N 2 2 319.453 1.768 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329267639 410202678 /nfs/dbraw/zinc/20/26/78/410202678.db2.gz GCDIXHHZSQLEBL-VNQPRFMTSA-N 2 2 319.453 1.768 20 30 DDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000344266430 411063555 /nfs/dbraw/zinc/06/35/55/411063555.db2.gz QOIKHMQYRUTMOI-MRXNPFEDSA-N 2 2 305.397 1.880 20 30 DDEDLP CC#CC[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000647600959 422968268 /nfs/dbraw/zinc/96/82/68/422968268.db2.gz QFZPIDDWNZTAIZ-GFCCVEGCSA-N 2 2 308.345 1.397 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC[C@@H]1CCCS1 ZINC000179188208 221892216 /nfs/dbraw/zinc/89/22/16/221892216.db2.gz CQOCHSBXJMBHTA-ZDUSSCGKSA-N 2 2 314.499 1.158 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC[C@@H]1CCCS1 ZINC000179188208 221892220 /nfs/dbraw/zinc/89/22/20/221892220.db2.gz CQOCHSBXJMBHTA-ZDUSSCGKSA-N 2 2 314.499 1.158 20 30 DDEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361117194 418586823 /nfs/dbraw/zinc/58/68/23/418586823.db2.gz IIVLWZSIFQQCIQ-CRAIPNDOSA-N 2 2 324.465 1.975 20 30 DDEDLP [NH2+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000261749646 222256402 /nfs/dbraw/zinc/25/64/02/222256402.db2.gz JRJSFRJIPIGGQC-OAHLLOKOSA-N 2 2 324.469 1.105 20 30 DDEDLP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261942715 222262450 /nfs/dbraw/zinc/26/24/50/222262450.db2.gz DXWMIXMEFYUTSH-JYJNAYRXSA-N 3 2 320.485 1.682 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264132026 222324023 /nfs/dbraw/zinc/32/40/23/222324023.db2.gz UGNXMCZUGNTFMP-ZDUSSCGKSA-N 3 2 314.437 1.494 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264132026 222324025 /nfs/dbraw/zinc/32/40/25/222324025.db2.gz UGNXMCZUGNTFMP-ZDUSSCGKSA-N 3 2 314.437 1.494 20 30 DDEDLP CN1CC[NH+]=C1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262625681 222286975 /nfs/dbraw/zinc/28/69/75/222286975.db2.gz DGTBVJVHYJVGLQ-UHFFFAOYSA-N 2 2 321.856 1.353 20 30 DDEDLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCOCC1 ZINC000263159298 222304950 /nfs/dbraw/zinc/30/49/50/222304950.db2.gz QLFQCXKANYDWNB-UHFFFAOYSA-N 2 2 319.796 1.673 20 30 DDEDLP CC[NH+]1CCC([N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000363148205 418763314 /nfs/dbraw/zinc/76/33/14/418763314.db2.gz HLDKYVRDNLAODM-GOSISDBHSA-N 2 2 318.465 1.744 20 30 DDEDLP CC[NH+]1CCC([N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000363148205 418763316 /nfs/dbraw/zinc/76/33/16/418763316.db2.gz HLDKYVRDNLAODM-GOSISDBHSA-N 2 2 318.465 1.744 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424183279 228242925 /nfs/dbraw/zinc/24/29/25/228242925.db2.gz VEFMEQCSHPNNRH-UONOGXRCSA-N 2 2 303.410 1.222 20 30 DDEDLP C=CCOc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563607343 421526723 /nfs/dbraw/zinc/52/67/23/421526723.db2.gz AXADZQDZBXUCRA-AWEZNQCLSA-N 2 2 304.394 1.358 20 30 DDEDLP C=CCOc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563607343 421526726 /nfs/dbraw/zinc/52/67/26/421526726.db2.gz AXADZQDZBXUCRA-AWEZNQCLSA-N 2 2 304.394 1.358 20 30 DDEDLP C=CCCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000567053371 421609678 /nfs/dbraw/zinc/60/96/78/421609678.db2.gz LJBDPLBZEYJSFE-UHFFFAOYSA-N 2 2 324.450 1.541 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000518759453 421666102 /nfs/dbraw/zinc/66/61/02/421666102.db2.gz VJCKTCAQPCXMSY-SJORKVTESA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000518759453 421666103 /nfs/dbraw/zinc/66/61/03/421666103.db2.gz VJCKTCAQPCXMSY-SJORKVTESA-N 2 2 304.434 1.839 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cnc12 ZINC000556222839 421705349 /nfs/dbraw/zinc/70/53/49/421705349.db2.gz JMNXFLKTWORHFM-UHFFFAOYSA-N 2 2 310.405 1.707 20 30 DDEDLP C=CCC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573206636 421930591 /nfs/dbraw/zinc/93/05/91/421930591.db2.gz HRZDVJOTTGNNFX-JKSUJKDBSA-N 2 2 317.433 1.931 20 30 DDEDLP C=CC[C@H](CO)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574323905 422091852 /nfs/dbraw/zinc/09/18/52/422091852.db2.gz OBFGKAQAPZKVPK-JKSUJKDBSA-N 2 2 317.433 1.788 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631063921 422502344 /nfs/dbraw/zinc/50/23/44/422502344.db2.gz HUZHAHZQZKKPNH-HNNXBMFYSA-N 2 2 319.453 1.445 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629563311 422729965 /nfs/dbraw/zinc/72/99/65/422729965.db2.gz PIVLRUBNBYYWHS-SRVKXCTJSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629563311 422729968 /nfs/dbraw/zinc/72/99/68/422729968.db2.gz PIVLRUBNBYYWHS-SRVKXCTJSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000644617838 423730228 /nfs/dbraw/zinc/73/02/28/423730228.db2.gz FRBRCNJVRZFDDT-OAHLLOKOSA-N 2 2 303.406 1.806 20 30 DDEDLP C=CCOCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000644617837 423730693 /nfs/dbraw/zinc/73/06/93/423730693.db2.gz FRBRCNJVRZFDDT-HNNXBMFYSA-N 2 2 303.406 1.806 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000535316657 303346200 /nfs/dbraw/zinc/34/62/00/303346200.db2.gz PJDNIDHYICDXAH-GFCCVEGCSA-N 2 2 315.402 1.781 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000535316657 303346201 /nfs/dbraw/zinc/34/62/01/303346201.db2.gz PJDNIDHYICDXAH-GFCCVEGCSA-N 2 2 315.402 1.781 20 30 DDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000583869216 337362545 /nfs/dbraw/zinc/36/25/45/337362545.db2.gz BRGYSMIDTQLCEA-GJZGRUSLSA-N 2 2 311.389 1.647 20 30 DDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000247492695 341365768 /nfs/dbraw/zinc/36/57/68/341365768.db2.gz LBLUXGLWJOANDI-WBVHZDCISA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000247492695 341365769 /nfs/dbraw/zinc/36/57/69/341365769.db2.gz LBLUXGLWJOANDI-WBVHZDCISA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000247492695 341365770 /nfs/dbraw/zinc/36/57/70/341365770.db2.gz LBLUXGLWJOANDI-WBVHZDCISA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000247492695 341365771 /nfs/dbraw/zinc/36/57/71/341365771.db2.gz LBLUXGLWJOANDI-WBVHZDCISA-N 2 2 306.454 1.601 20 30 DDEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468287 484153885 /nfs/dbraw/zinc/15/38/85/484153885.db2.gz JHZDENGYDWWPBC-GOSISDBHSA-N 2 2 323.444 1.913 20 30 DDEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468287 484153888 /nfs/dbraw/zinc/15/38/88/484153888.db2.gz JHZDENGYDWWPBC-GOSISDBHSA-N 2 2 323.444 1.913 20 30 DDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499933 490367467 /nfs/dbraw/zinc/36/74/67/490367467.db2.gz FPYANGAIKSOSBL-KRWDZBQOSA-N 2 2 300.450 1.823 20 30 DDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499933 490367470 /nfs/dbraw/zinc/36/74/70/490367470.db2.gz FPYANGAIKSOSBL-KRWDZBQOSA-N 2 2 300.450 1.823 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339754575 526358391 /nfs/dbraw/zinc/35/83/91/526358391.db2.gz RVYMWNAKAYAAHC-KRWDZBQOSA-N 2 2 313.445 1.847 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339754575 526358396 /nfs/dbraw/zinc/35/83/96/526358396.db2.gz RVYMWNAKAYAAHC-KRWDZBQOSA-N 2 2 313.445 1.847 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000339759605 526359636 /nfs/dbraw/zinc/35/96/36/526359636.db2.gz GMVNBWYJURPBCO-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000339759605 526359643 /nfs/dbraw/zinc/35/96/43/526359643.db2.gz GMVNBWYJURPBCO-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422862548 526454951 /nfs/dbraw/zinc/45/49/51/526454951.db2.gz QBJVTTIODPWNIV-OAHLLOKOSA-N 3 2 323.481 1.548 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000491723455 526949696 /nfs/dbraw/zinc/94/96/96/526949696.db2.gz BVHMSCZNNIDOPX-UHFFFAOYSA-N 2 2 321.490 1.125 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC000491723455 526949703 /nfs/dbraw/zinc/94/97/03/526949703.db2.gz BVHMSCZNNIDOPX-UHFFFAOYSA-N 2 2 321.490 1.125 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000490915035 526949778 /nfs/dbraw/zinc/94/97/78/526949778.db2.gz LAYDAEVXAIUORG-KRWDZBQOSA-N 2 2 313.445 1.731 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(CCC)COC)CC1 ZINC000491657137 526950255 /nfs/dbraw/zinc/95/02/55/526950255.db2.gz UJJMTJUYDNMSJH-SFHVURJKSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(CCC)COC)CC1 ZINC000491657137 526950260 /nfs/dbraw/zinc/95/02/60/526950260.db2.gz UJJMTJUYDNMSJH-SFHVURJKSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccncc2CC)CC1 ZINC000490932769 526950621 /nfs/dbraw/zinc/95/06/21/526950621.db2.gz AHAUKOBBRJZXCZ-HNNXBMFYSA-N 2 2 314.433 1.072 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)COc2cc(C)[nH+]c(C)c2C)CC1 ZINC000491732073 526951869 /nfs/dbraw/zinc/95/18/69/526951869.db2.gz HCMNYGGTMXTXCE-UHFFFAOYSA-N 2 2 301.390 1.163 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000347543645 528696041 /nfs/dbraw/zinc/69/60/41/528696041.db2.gz YMEXZWKJNOLYQI-NVXWUHKLSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000347543645 528696044 /nfs/dbraw/zinc/69/60/44/528696044.db2.gz YMEXZWKJNOLYQI-NVXWUHKLSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000347543645 528696048 /nfs/dbraw/zinc/69/60/48/528696048.db2.gz YMEXZWKJNOLYQI-NVXWUHKLSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000347543645 528696053 /nfs/dbraw/zinc/69/60/53/528696053.db2.gz YMEXZWKJNOLYQI-NVXWUHKLSA-N 2 2 320.481 1.658 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980254926 696719649 /nfs/dbraw/zinc/71/96/49/696719649.db2.gz CKOLYTSEMMRMLM-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980254926 696719651 /nfs/dbraw/zinc/71/96/51/696719651.db2.gz CKOLYTSEMMRMLM-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419821 695245117 /nfs/dbraw/zinc/24/51/17/695245117.db2.gz JWDSSEDGZCEQRE-RDJZCZTQSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419821 695245118 /nfs/dbraw/zinc/24/51/18/695245118.db2.gz JWDSSEDGZCEQRE-RDJZCZTQSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000972548088 695279022 /nfs/dbraw/zinc/27/90/22/695279022.db2.gz FUCOGJXDGVNMCW-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000972548088 695279023 /nfs/dbraw/zinc/27/90/23/695279023.db2.gz FUCOGJXDGVNMCW-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000972548088 695279025 /nfs/dbraw/zinc/27/90/25/695279025.db2.gz FUCOGJXDGVNMCW-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000972548088 695279026 /nfs/dbraw/zinc/27/90/26/695279026.db2.gz FUCOGJXDGVNMCW-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669351 695707951 /nfs/dbraw/zinc/70/79/51/695707951.db2.gz DQJNMCBILHJVBT-UONOGXRCSA-N 2 2 300.406 1.220 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669351 695707953 /nfs/dbraw/zinc/70/79/53/695707953.db2.gz DQJNMCBILHJVBT-UONOGXRCSA-N 2 2 300.406 1.220 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974745122 695724821 /nfs/dbraw/zinc/72/48/21/695724821.db2.gz WNAUWGOMOAJROK-CQSZACIVSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974745122 695724822 /nfs/dbraw/zinc/72/48/22/695724822.db2.gz WNAUWGOMOAJROK-CQSZACIVSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979257 695772126 /nfs/dbraw/zinc/77/21/26/695772126.db2.gz UOZDXKBPRRVHQK-AWEZNQCLSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979257 695772129 /nfs/dbraw/zinc/77/21/29/695772129.db2.gz UOZDXKBPRRVHQK-AWEZNQCLSA-N 2 2 303.406 1.415 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035909 695781604 /nfs/dbraw/zinc/78/16/04/695781604.db2.gz BZHRRMLWMFCQHT-ZFWWWQNUSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035909 695781607 /nfs/dbraw/zinc/78/16/07/695781607.db2.gz BZHRRMLWMFCQHT-ZFWWWQNUSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474558 697105678 /nfs/dbraw/zinc/10/56/78/697105678.db2.gz UQZCONRXJJUJHK-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474558 697105681 /nfs/dbraw/zinc/10/56/81/697105681.db2.gz UQZCONRXJJUJHK-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981484713 697108689 /nfs/dbraw/zinc/10/86/89/697108689.db2.gz ZKISSUBYQOKVGG-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981484713 697108691 /nfs/dbraw/zinc/10/86/91/697108691.db2.gz ZKISSUBYQOKVGG-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982679403 697168544 /nfs/dbraw/zinc/16/85/44/697168544.db2.gz MGGZTRVSJLUKDJ-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982679403 697168546 /nfs/dbraw/zinc/16/85/46/697168546.db2.gz MGGZTRVSJLUKDJ-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987340141 698089647 /nfs/dbraw/zinc/08/96/47/698089647.db2.gz DFQXMVOBQFMGGN-ZFWWWQNUSA-N 2 2 311.389 1.646 20 30 DDEDLP CC(C)NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000303897887 698610527 /nfs/dbraw/zinc/61/05/27/698610527.db2.gz VGSRBSZQZZJHCF-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000990026735 698904480 /nfs/dbraw/zinc/90/44/80/698904480.db2.gz PBZAAJWFYJPLDR-OFQRWUPVSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000990026735 698904483 /nfs/dbraw/zinc/90/44/83/698904483.db2.gz PBZAAJWFYJPLDR-OFQRWUPVSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026735 698904484 /nfs/dbraw/zinc/90/44/84/698904484.db2.gz PBZAAJWFYJPLDR-OFQRWUPVSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026735 698904486 /nfs/dbraw/zinc/90/44/86/698904486.db2.gz PBZAAJWFYJPLDR-OFQRWUPVSA-N 2 2 311.857 1.946 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991449872 699328042 /nfs/dbraw/zinc/32/80/42/699328042.db2.gz WGNZMRNJDXWKFV-IIDMSEBBSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991449872 699328044 /nfs/dbraw/zinc/32/80/44/699328044.db2.gz WGNZMRNJDXWKFV-IIDMSEBBSA-N 2 2 312.417 1.192 20 30 DDEDLP CCN(C)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cn1 ZINC000790164497 699446470 /nfs/dbraw/zinc/44/64/70/699446470.db2.gz SSODFHDFLOULEP-UHFFFAOYSA-N 2 2 322.482 1.287 20 30 DDEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569210 706720824 /nfs/dbraw/zinc/72/08/24/706720824.db2.gz LDIYHTBYTARPGH-KBPBESRZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569210 706720826 /nfs/dbraw/zinc/72/08/26/706720826.db2.gz LDIYHTBYTARPGH-KBPBESRZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569210 706720828 /nfs/dbraw/zinc/72/08/28/706720828.db2.gz LDIYHTBYTARPGH-KBPBESRZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569210 706720830 /nfs/dbraw/zinc/72/08/30/706720830.db2.gz LDIYHTBYTARPGH-KBPBESRZSA-N 2 2 318.446 1.974 20 30 DDEDLP COCCN(C)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cn1 ZINC000848417111 703548304 /nfs/dbraw/zinc/54/83/04/703548304.db2.gz LDBYIMAERVBZDH-UHFFFAOYSA-N 2 2 316.409 1.375 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000876750486 705856962 /nfs/dbraw/zinc/85/69/62/705856962.db2.gz HQMRDPMVWYFTJS-KBPBESRZSA-N 2 2 315.845 1.170 20 30 DDEDLP C#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000886574562 708779491 /nfs/dbraw/zinc/77/94/91/708779491.db2.gz KSPMONHSSDTHFC-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000890371904 709844670 /nfs/dbraw/zinc/84/46/70/709844670.db2.gz DHYHACYVGBLDLR-HZPDHXFCSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000890371904 709844672 /nfs/dbraw/zinc/84/46/72/709844672.db2.gz DHYHACYVGBLDLR-HZPDHXFCSA-N 2 2 315.421 1.327 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1 ZINC000903825360 711292622 /nfs/dbraw/zinc/29/26/22/711292622.db2.gz ZNNPVOJAFNZSHN-SJORKVTESA-N 2 2 313.401 1.310 20 30 DDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cc1 ZINC000903825360 711292629 /nfs/dbraw/zinc/29/26/29/711292629.db2.gz ZNNPVOJAFNZSHN-SJORKVTESA-N 2 2 313.401 1.310 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912387348 711305575 /nfs/dbraw/zinc/30/55/75/711305575.db2.gz OPSVGRGFCVEPGF-LEOMRAHMSA-N 2 2 320.481 1.706 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912387348 711305577 /nfs/dbraw/zinc/30/55/77/711305577.db2.gz OPSVGRGFCVEPGF-LEOMRAHMSA-N 2 2 320.481 1.706 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896519950 711737166 /nfs/dbraw/zinc/73/71/66/711737166.db2.gz AMALVVMQKVSVFF-UHFFFAOYSA-N 2 2 302.422 1.531 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923412096 714347272 /nfs/dbraw/zinc/34/72/72/714347272.db2.gz PDESFQURWUFOCB-CVEARBPZSA-N 2 2 303.406 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923412096 714347274 /nfs/dbraw/zinc/34/72/74/714347274.db2.gz PDESFQURWUFOCB-CVEARBPZSA-N 2 2 303.406 1.501 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000923559564 714403302 /nfs/dbraw/zinc/40/33/02/714403302.db2.gz OSSQKVOITPDXAK-AWEZNQCLSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000923559564 714403304 /nfs/dbraw/zinc/40/33/04/714403304.db2.gz OSSQKVOITPDXAK-AWEZNQCLSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000956960796 715682418 /nfs/dbraw/zinc/68/24/18/715682418.db2.gz NRHKKYAIJFSUNH-UHFFFAOYSA-N 2 2 313.445 1.918 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957625912 715973731 /nfs/dbraw/zinc/97/37/31/715973731.db2.gz AGYOTAGMAWQOHL-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000957652188 715985458 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AQUMEWKBCKIVNJ-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395898 751466016 /nfs/dbraw/zinc/46/60/16/751466016.db2.gz ZZSKMNVQKYIAMT-IAGOWNOFSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395898 751466017 /nfs/dbraw/zinc/46/60/17/751466017.db2.gz ZZSKMNVQKYIAMT-IAGOWNOFSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395898 751466018 /nfs/dbraw/zinc/46/60/18/751466018.db2.gz ZZSKMNVQKYIAMT-IAGOWNOFSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395898 751466020 /nfs/dbraw/zinc/46/60/20/751466020.db2.gz ZZSKMNVQKYIAMT-IAGOWNOFSA-N 2 2 323.481 1.357 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035423203 751481323 /nfs/dbraw/zinc/48/13/23/751481323.db2.gz IZJNZNLIYPEFKD-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP 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/nfs/dbraw/zinc/72/52/36/751725236.db2.gz IRCHNUGYIQYQAX-XIRDDKMYSA-N 2 2 312.417 1.062 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001032628598 751725239 /nfs/dbraw/zinc/72/52/39/751725239.db2.gz IRCHNUGYIQYQAX-XIRDDKMYSA-N 2 2 312.417 1.062 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001182718508 743696055 /nfs/dbraw/zinc/69/60/55/743696055.db2.gz FLMPXMMYSBCLRY-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184534351 744055825 /nfs/dbraw/zinc/05/58/25/744055825.db2.gz KZZHMIBQNGJQOW-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184534351 744055829 /nfs/dbraw/zinc/05/58/29/744055829.db2.gz KZZHMIBQNGJQOW-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203607252 744157276 /nfs/dbraw/zinc/15/72/76/744157276.db2.gz VMNXRXOMCBQINV-HUUCEWRRSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185370849 744218108 /nfs/dbraw/zinc/21/81/08/744218108.db2.gz QBRUCOBWVQJNKB-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491350 744245267 /nfs/dbraw/zinc/24/52/67/744245267.db2.gz GZBHRTXPIJJDKN-KGLIPLIRSA-N 2 2 302.422 1.395 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992519355 744932208 /nfs/dbraw/zinc/93/22/08/744932208.db2.gz BBRSNOARITWKIK-ZFWWWQNUSA-N 2 2 308.813 1.749 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992519355 744932211 /nfs/dbraw/zinc/93/22/11/744932211.db2.gz BBRSNOARITWKIK-ZFWWWQNUSA-N 2 2 308.813 1.749 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC000992867841 745252916 /nfs/dbraw/zinc/25/29/16/745252916.db2.gz BEYAKBKHXHIEJZ-QLFBSQMISA-N 2 2 302.422 1.663 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992870774 745260785 /nfs/dbraw/zinc/26/07/85/745260785.db2.gz IPPMDUCCMIUISI-DJIMGWMZSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988615 745395999 /nfs/dbraw/zinc/39/59/99/745395999.db2.gz HGPLODAZYIEQAJ-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988615 745396003 /nfs/dbraw/zinc/39/60/03/745396003.db2.gz HGPLODAZYIEQAJ-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168476589 745541560 /nfs/dbraw/zinc/54/15/60/745541560.db2.gz ZUCZEWZJCGHAIM-UHFFFAOYSA-N 2 2 302.422 1.563 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153040 746292689 /nfs/dbraw/zinc/29/26/89/746292689.db2.gz ATORUISIINUYFP-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153040 746292691 /nfs/dbraw/zinc/29/26/91/746292691.db2.gz ATORUISIINUYFP-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203814822 746683471 /nfs/dbraw/zinc/68/34/71/746683471.db2.gz LNXRBTNQJMYPOF-HUUCEWRRSA-N 2 2 302.422 1.866 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003132354 747000938 /nfs/dbraw/zinc/00/09/38/747000938.db2.gz BCFVKCDNPNMFCE-TZMCWYRMSA-N 2 2 315.845 1.039 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003132354 747000939 /nfs/dbraw/zinc/00/09/39/747000939.db2.gz BCFVKCDNPNMFCE-TZMCWYRMSA-N 2 2 315.845 1.039 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001003136513 747004624 /nfs/dbraw/zinc/00/46/24/747004624.db2.gz YNIDDLVPDCOFGN-UHFFFAOYSA-N 2 2 301.390 1.237 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004625508 748591480 /nfs/dbraw/zinc/59/14/80/748591480.db2.gz VIZGLZOPVYTEHR-HOTGVXAUSA-N 2 2 304.438 1.165 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004625508 748591483 /nfs/dbraw/zinc/59/14/83/748591483.db2.gz VIZGLZOPVYTEHR-HOTGVXAUSA-N 2 2 304.438 1.165 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004625508 748591488 /nfs/dbraw/zinc/59/14/88/748591488.db2.gz VIZGLZOPVYTEHR-HOTGVXAUSA-N 2 2 304.438 1.165 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004625508 748591494 /nfs/dbraw/zinc/59/14/94/748591494.db2.gz VIZGLZOPVYTEHR-HOTGVXAUSA-N 2 2 304.438 1.165 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201944616 748649483 /nfs/dbraw/zinc/64/94/83/748649483.db2.gz KVOIMDUFWSCQOX-OAHLLOKOSA-N 2 2 320.437 1.434 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110696971 748902773 /nfs/dbraw/zinc/90/27/73/748902773.db2.gz UCCLHHNMPNUKPZ-WCXIOVBPSA-N 2 2 314.433 1.825 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110696971 748902781 /nfs/dbraw/zinc/90/27/81/748902781.db2.gz UCCLHHNMPNUKPZ-WCXIOVBPSA-N 2 2 314.433 1.825 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206250 748919533 /nfs/dbraw/zinc/91/95/33/748919533.db2.gz HHLJTQYMQWPUJQ-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206250 748919542 /nfs/dbraw/zinc/91/95/42/748919542.db2.gz HHLJTQYMQWPUJQ-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343189 761958535 /nfs/dbraw/zinc/95/85/35/761958535.db2.gz NOIZANKUQVUZCO-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343189 761958538 /nfs/dbraw/zinc/95/85/38/761958538.db2.gz NOIZANKUQVUZCO-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996732473 750004207 /nfs/dbraw/zinc/00/42/07/750004207.db2.gz PHFRQLHUTPQNRM-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996734867 750005932 /nfs/dbraw/zinc/00/59/32/750005932.db2.gz YBWKAUSAWNCKKM-ZDUSSCGKSA-N 2 2 322.840 1.779 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950822 750172925 /nfs/dbraw/zinc/17/29/25/750172925.db2.gz YJAUUBPDKKZHAE-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950822 750172928 /nfs/dbraw/zinc/17/29/28/750172928.db2.gz YJAUUBPDKKZHAE-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000996864005 750228201 /nfs/dbraw/zinc/22/82/01/750228201.db2.gz LQPSFSKGUGXSMX-QGZVFWFLSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000996864005 750228206 /nfs/dbraw/zinc/22/82/06/750228206.db2.gz LQPSFSKGUGXSMX-QGZVFWFLSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032443669 750856330 /nfs/dbraw/zinc/85/63/30/750856330.db2.gz AWFVVIBDNGFSIO-ULQDDVLXSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032443669 750856337 /nfs/dbraw/zinc/85/63/37/750856337.db2.gz AWFVVIBDNGFSIO-ULQDDVLXSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443669 750856343 /nfs/dbraw/zinc/85/63/43/750856343.db2.gz AWFVVIBDNGFSIO-ULQDDVLXSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443669 750856349 /nfs/dbraw/zinc/85/63/49/750856349.db2.gz AWFVVIBDNGFSIO-ULQDDVLXSA-N 2 2 319.449 1.101 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493571 751057799 /nfs/dbraw/zinc/05/77/99/751057799.db2.gz ZRTCNAZXUDDLNR-YESZJQIVSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C 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766340764 /nfs/dbraw/zinc/34/07/64/766340764.db2.gz HTGRHVSTOYIKBI-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045487249 766344672 /nfs/dbraw/zinc/34/46/72/766344672.db2.gz XGXUXITWBWDOQI-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875026 769280166 /nfs/dbraw/zinc/28/01/66/769280166.db2.gz REPIJTOIWPKREB-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875026 769280174 /nfs/dbraw/zinc/28/01/74/769280174.db2.gz REPIJTOIWPKREB-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021665 769412141 /nfs/dbraw/zinc/41/21/41/769412141.db2.gz SCMLMWQUMVOESO-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510306 769534961 /nfs/dbraw/zinc/53/49/61/769534961.db2.gz BCNWAIODJIMPNA-XJKSGUPXSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510306 769534967 /nfs/dbraw/zinc/53/49/67/769534967.db2.gz BCNWAIODJIMPNA-XJKSGUPXSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133241207 769618656 /nfs/dbraw/zinc/61/86/56/769618656.db2.gz FSVYRXKEXYZYSR-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133269916 769655342 /nfs/dbraw/zinc/65/53/42/769655342.db2.gz GYFMAUSZKXEKIX-ZFWWWQNUSA-N 2 2 302.422 1.358 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289099 769666641 /nfs/dbraw/zinc/66/66/41/769666641.db2.gz PRYXUTNIOQGQCN-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071628562 769746081 /nfs/dbraw/zinc/74/60/81/769746081.db2.gz QSYQQZTYSSLXCR-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071628562 769746087 /nfs/dbraw/zinc/74/60/87/769746087.db2.gz QSYQQZTYSSLXCR-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676750 769849376 /nfs/dbraw/zinc/84/93/76/769849376.db2.gz OCYGFMJJTLSDPC-LSDHHAIUSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@@H]1C ZINC001071676750 769849390 /nfs/dbraw/zinc/84/93/90/769849390.db2.gz OCYGFMJJTLSDPC-LSDHHAIUSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940061 770315725 /nfs/dbraw/zinc/31/57/25/770315725.db2.gz VLBONANGHOCDLF-GOEBONIOSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@@H]1C ZINC001071940061 770315735 /nfs/dbraw/zinc/31/57/35/770315735.db2.gz VLBONANGHOCDLF-GOEBONIOSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000796 770415119 /nfs/dbraw/zinc/41/51/19/770415119.db2.gz ZQXPMDJJABKIKJ-KGLIPLIRSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000796 770415120 /nfs/dbraw/zinc/41/51/20/770415120.db2.gz ZQXPMDJJABKIKJ-KGLIPLIRSA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994618 771348689 /nfs/dbraw/zinc/34/86/89/771348689.db2.gz TZHUXIMJVOILRZ-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001049994618 771348694 /nfs/dbraw/zinc/34/86/94/771348694.db2.gz TZHUXIMJVOILRZ-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994618 771348699 /nfs/dbraw/zinc/34/86/99/771348699.db2.gz TZHUXIMJVOILRZ-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994618 771348702 /nfs/dbraw/zinc/34/87/02/771348702.db2.gz TZHUXIMJVOILRZ-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146716311 772925179 /nfs/dbraw/zinc/92/51/79/772925179.db2.gz YYVDTLOGXODRIH-JKSUJKDBSA-N 2 2 322.453 1.739 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001074719436 774083846 /nfs/dbraw/zinc/08/38/46/774083846.db2.gz DWOUVFNHURCVBG-LZWOXQAQSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001099036123 774786765 /nfs/dbraw/zinc/78/67/65/774786765.db2.gz OMILUONMHNKUPG-BORJPKMPSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001099036123 774786768 /nfs/dbraw/zinc/78/67/68/774786768.db2.gz OMILUONMHNKUPG-BORJPKMPSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171605103 776366791 /nfs/dbraw/zinc/36/67/91/776366791.db2.gz MVMIZRQWGYIVTB-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604507 776367449 /nfs/dbraw/zinc/36/74/49/776367449.db2.gz IEVUDJMIOASUPJ-ZFWWWQNUSA-N 2 2 316.449 1.721 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604507 776367458 /nfs/dbraw/zinc/36/74/58/776367458.db2.gz IEVUDJMIOASUPJ-ZFWWWQNUSA-N 2 2 316.449 1.721 20 30 DDEDLP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001173423844 777183249 /nfs/dbraw/zinc/18/32/49/777183249.db2.gz ONVBFQRWRWUKHB-MRXNPFEDSA-N 2 2 312.417 1.586 20 30 DDEDLP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001173423844 777183255 /nfs/dbraw/zinc/18/32/55/777183255.db2.gz ONVBFQRWRWUKHB-MRXNPFEDSA-N 2 2 312.417 1.586 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177015 777912664 /nfs/dbraw/zinc/91/26/64/777912664.db2.gz DFBQIKKPUMOCHT-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177015 777912672 /nfs/dbraw/zinc/91/26/72/777912672.db2.gz DFBQIKKPUMOCHT-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676505 778208775 /nfs/dbraw/zinc/20/87/75/778208775.db2.gz VIEPDWBZAXJTTR-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001177043271 778406508 /nfs/dbraw/zinc/40/65/08/778406508.db2.gz WBQGJFPHCLZVIM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001177043271 778406512 /nfs/dbraw/zinc/40/65/12/778406512.db2.gz WBQGJFPHCLZVIM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177043271 778406516 /nfs/dbraw/zinc/40/65/16/778406516.db2.gz WBQGJFPHCLZVIM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177043271 778406518 /nfs/dbraw/zinc/40/65/18/778406518.db2.gz WBQGJFPHCLZVIM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776096 779039874 /nfs/dbraw/zinc/03/98/74/779039874.db2.gz TWLCSCRFCHCOBX-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776096 779039880 /nfs/dbraw/zinc/03/98/80/779039880.db2.gz TWLCSCRFCHCOBX-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179019578 779248054 /nfs/dbraw/zinc/24/80/54/779248054.db2.gz XZQUHIJULAPFBG-JYJNAYRXSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179021710 779249351 /nfs/dbraw/zinc/24/93/51/779249351.db2.gz BGIFOSWVGJKKJJ-LZWOXQAQSA-N 2 2 300.406 1.048 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202593 779304045 /nfs/dbraw/zinc/30/40/45/779304045.db2.gz JFGHFPLRQQSBQN-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP COCC#CC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158744 779646728 /nfs/dbraw/zinc/64/67/28/779646728.db2.gz QGMQKKYGGBNSTM-UHFFFAOYSA-N 2 2 320.437 1.177 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598384 837526997 /nfs/dbraw/zinc/52/69/97/837526997.db2.gz XINOPPVUQHOECE-HZPDHXFCSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598384 837527002 /nfs/dbraw/zinc/52/70/02/837527002.db2.gz XINOPPVUQHOECE-HZPDHXFCSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CCC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001271798716 844116218 /nfs/dbraw/zinc/11/62/18/844116218.db2.gz IMAFXQISHPWAEK-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C#CCC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001271798716 844116224 /nfs/dbraw/zinc/11/62/24/844116224.db2.gz IMAFXQISHPWAEK-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001266382564 836190854 /nfs/dbraw/zinc/19/08/54/836190854.db2.gz SUDIIKGUAAPZNE-OAHLLOKOSA-N 2 2 302.422 1.820 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267012828 837189665 /nfs/dbraw/zinc/18/96/65/837189665.db2.gz HWRYAAGZWDIIPN-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001268211220 839842692 /nfs/dbraw/zinc/84/26/92/839842692.db2.gz BTBZSVWEEUIIGV-MRXNPFEDSA-N 2 2 316.449 1.516 20 30 DDEDLP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001279327415 840119565 /nfs/dbraw/zinc/11/95/65/840119565.db2.gz GBJMUQPICZQROH-UHFFFAOYSA-N 2 2 324.428 1.902 20 30 DDEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269622323 841838856 /nfs/dbraw/zinc/83/88/56/841838856.db2.gz GJZFXLZGQQHBAR-SJLPKXTDSA-N 2 2 316.449 1.978 20 30 DDEDLP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001270985755 843111701 /nfs/dbraw/zinc/11/17/01/843111701.db2.gz IBEQRCARDFBVHM-INIZCTEOSA-N 2 2 324.428 1.831 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271013548 843132827 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C=C(C)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001280480569 847721969 /nfs/dbraw/zinc/72/19/69/847721969.db2.gz TYNGVCPGQQFENE-UHFFFAOYSA-N 2 2 316.449 1.967 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001273106028 847919367 /nfs/dbraw/zinc/91/93/67/847919367.db2.gz GVGQGUNBSBQDIP-AWEZNQCLSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034250246 848159015 /nfs/dbraw/zinc/15/90/15/848159015.db2.gz RGPADJZBPKIWLR-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034250246 848159020 /nfs/dbraw/zinc/15/90/20/848159020.db2.gz RGPADJZBPKIWLR-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034250246 848159026 /nfs/dbraw/zinc/15/90/26/848159026.db2.gz RGPADJZBPKIWLR-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034250246 848159033 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30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283902 848251339 /nfs/dbraw/zinc/25/13/39/848251339.db2.gz XBOMNBHXXTYQFV-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273492409 851026267 /nfs/dbraw/zinc/02/62/67/851026267.db2.gz QBXRASYCNMVLDY-QGZVFWFLSA-N 2 2 318.421 1.190 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273492409 851026271 /nfs/dbraw/zinc/02/62/71/851026271.db2.gz QBXRASYCNMVLDY-QGZVFWFLSA-N 2 2 318.421 1.190 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371146 862198841 /nfs/dbraw/zinc/19/88/41/862198841.db2.gz GNEZRULUSUJLBG-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371146 862198847 /nfs/dbraw/zinc/19/88/47/862198847.db2.gz GNEZRULUSUJLBG-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C#CCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273541653 851076707 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1.697 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073553920 858434506 /nfs/dbraw/zinc/43/45/06/858434506.db2.gz CGWZBFQINMSHJB-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073553920 858434509 /nfs/dbraw/zinc/43/45/09/858434509.db2.gz CGWZBFQINMSHJB-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553920 858434513 /nfs/dbraw/zinc/43/45/13/858434513.db2.gz CGWZBFQINMSHJB-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553920 858434516 /nfs/dbraw/zinc/43/45/16/858434516.db2.gz CGWZBFQINMSHJB-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C#CC[NH+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139257461 860339490 /nfs/dbraw/zinc/33/94/90/860339490.db2.gz BWCHJFXVYPGDRL-UHFFFAOYSA-N 2 2 317.433 1.213 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013857 860594624 /nfs/dbraw/zinc/59/46/24/860594624.db2.gz LUNMMVQIHSPHMS-HUUCEWRRSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013857 860594631 /nfs/dbraw/zinc/59/46/31/860594631.db2.gz LUNMMVQIHSPHMS-HUUCEWRRSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919676 860955737 /nfs/dbraw/zinc/95/57/37/860955737.db2.gz VHCFZXNBFJQTRI-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919676 860955744 /nfs/dbraw/zinc/95/57/44/860955744.db2.gz VHCFZXNBFJQTRI-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001329934729 863954366 /nfs/dbraw/zinc/95/43/66/863954366.db2.gz ZIQLXLJTIDWZPQ-GJZGRUSLSA-N 2 2 317.437 1.612 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807136 864915135 /nfs/dbraw/zinc/91/51/35/864915135.db2.gz WDZRIMBWKDTDOX-MRXNPFEDSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158807136 864915141 /nfs/dbraw/zinc/91/51/41/864915141.db2.gz WDZRIMBWKDTDOX-MRXNPFEDSA-N 2 2 302.422 1.299 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001324188194 867132502 /nfs/dbraw/zinc/13/25/02/867132502.db2.gz ZDEJVFJNBVSMTF-WBVHZDCISA-N 2 2 316.449 1.992 20 30 DDEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC001321642133 867710999 /nfs/dbraw/zinc/71/09/99/867710999.db2.gz KWFAZPYUDGXHIE-SNVBAGLBSA-N 2 2 322.332 1.239 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cccnc1 ZINC001322178784 868029444 /nfs/dbraw/zinc/02/94/44/868029444.db2.gz ZWHISICZVOKANN-RDJZCZTQSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccnc1 ZINC001322178784 868029456 /nfs/dbraw/zinc/02/94/56/868029456.db2.gz ZWHISICZVOKANN-RDJZCZTQSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cccnc1 ZINC001322178784 868029469 /nfs/dbraw/zinc/02/94/69/868029469.db2.gz ZWHISICZVOKANN-RDJZCZTQSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cccnc1 ZINC001322178784 868029480 /nfs/dbraw/zinc/02/94/80/868029480.db2.gz ZWHISICZVOKANN-RDJZCZTQSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834316 869728592 /nfs/dbraw/zinc/72/85/92/869728592.db2.gz ANCXRUUBPLGRJD-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203658945 870698173 /nfs/dbraw/zinc/69/81/73/870698173.db2.gz FQFRESYVBOWOBQ-LSDHHAIUSA-N 2 2 302.422 1.854 20 30 DDEDLP CC#CC[N@H+](CC)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317481685 871621344 /nfs/dbraw/zinc/62/13/44/871621344.db2.gz IMWRMZQTXGSIEJ-MRXNPFEDSA-N 2 2 304.438 1.932 20 30 DDEDLP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317481685 871621355 /nfs/dbraw/zinc/62/13/55/871621355.db2.gz IMWRMZQTXGSIEJ-MRXNPFEDSA-N 2 2 304.438 1.932 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317993984 871677020 /nfs/dbraw/zinc/67/70/20/871677020.db2.gz ILVOCGIHUWBYSC-ROUUACIJSA-N 2 2 313.445 1.893 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317993984 871677033 /nfs/dbraw/zinc/67/70/33/871677033.db2.gz ILVOCGIHUWBYSC-ROUUACIJSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001205783535 871808621 /nfs/dbraw/zinc/80/86/21/871808621.db2.gz VOLYYUPCMXQERO-UHFFFAOYSA-N 2 2 322.412 1.947 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238368 872154169 /nfs/dbraw/zinc/15/41/69/872154169.db2.gz NXCNTSDZASZWLV-AWEZNQCLSA-N 2 2 302.422 1.844 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316879726 872194891 /nfs/dbraw/zinc/19/48/91/872194891.db2.gz KSIQBBXHYMIRGN-ZBFHGGJFSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319085277 872432160 /nfs/dbraw/zinc/43/21/60/872432160.db2.gz NLHVRXVMUMARTK-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC001346276337 873680848 /nfs/dbraw/zinc/68/08/48/873680848.db2.gz ODCKUAQLHDNFFL-HNNXBMFYSA-N 2 2 306.381 1.253 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916854 876506104 /nfs/dbraw/zinc/50/61/04/876506104.db2.gz KDQGUNBKBWMZBK-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005785 876537965 /nfs/dbraw/zinc/53/79/65/876537965.db2.gz IBXHXSMSXISNMY-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227629075 883115003 /nfs/dbraw/zinc/11/50/03/883115003.db2.gz OFPBLCQPRMFOCN-AWEZNQCLSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001379558297 877391599 /nfs/dbraw/zinc/39/15/99/877391599.db2.gz AMNBGJCSMHOBDM-KGLIPLIRSA-N 2 2 310.829 1.995 20 30 DDEDLP C#CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219454429 878241650 /nfs/dbraw/zinc/24/16/50/878241650.db2.gz UIJDLJQLEMHDSP-KBPBESRZSA-N 2 2 323.343 1.352 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001380166747 878952159 /nfs/dbraw/zinc/95/21/59/878952159.db2.gz CKOBBTGRBBCEPZ-UHFFFAOYSA-N 2 2 309.373 1.193 20 30 DDEDLP N#CC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)Cc2ccccc2C1 ZINC001221370156 879721040 /nfs/dbraw/zinc/72/10/40/879721040.db2.gz PESKXMYTNWWIBU-QGZVFWFLSA-N 2 2 320.396 1.436 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC001278289164 890521317 /nfs/dbraw/zinc/52/13/17/890521317.db2.gz OZXDOZDHLKKLLD-KRWDZBQOSA-N 2 2 316.449 1.641 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278369956 891721549 /nfs/dbraw/zinc/72/15/49/891721549.db2.gz BJPAYFQWDACUPC-CZUORRHYSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001278651925 895036657 /nfs/dbraw/zinc/03/66/57/895036657.db2.gz VWCGACZSNDOUPE-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C[C@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252547287 895258229 /nfs/dbraw/zinc/25/82/29/895258229.db2.gz FLKFALNNKKRRJJ-KRWDZBQOSA-N 2 2 306.454 1.821 20 30 DDEDLP C=C[C@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252547287 895258236 /nfs/dbraw/zinc/25/82/36/895258236.db2.gz FLKFALNNKKRRJJ-KRWDZBQOSA-N 2 2 306.454 1.821 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001278973389 897621657 /nfs/dbraw/zinc/62/16/57/897621657.db2.gz SUVONFWPAHKWQI-NFAWXSAZSA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001278973389 897621668 /nfs/dbraw/zinc/62/16/68/897621668.db2.gz SUVONFWPAHKWQI-NFAWXSAZSA-N 2 2 302.422 1.657 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265400960 901973236 /nfs/dbraw/zinc/97/32/36/901973236.db2.gz HXTCCNZRAYJKFP-MRXNPFEDSA-N 2 2 320.437 1.256 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265400960 901973241 /nfs/dbraw/zinc/97/32/41/901973241.db2.gz HXTCCNZRAYJKFP-MRXNPFEDSA-N 2 2 320.437 1.256 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001391910054 902881864 /nfs/dbraw/zinc/88/18/64/902881864.db2.gz AGUAUBAPMQRGRE-DGCLKSJQSA-N 2 2 310.829 1.540 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001279204291 903192884 /nfs/dbraw/zinc/19/28/84/903192884.db2.gz LCDNTOJWZWCTHR-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001392678650 904862917 /nfs/dbraw/zinc/86/29/17/904862917.db2.gz QXZDMJWZILDDKV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001392678650 904862931 /nfs/dbraw/zinc/86/29/31/904862931.db2.gz QXZDMJWZILDDKV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392678650 904862949 /nfs/dbraw/zinc/86/29/49/904862949.db2.gz QXZDMJWZILDDKV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392678650 904862970 /nfs/dbraw/zinc/86/29/70/904862970.db2.gz QXZDMJWZILDDKV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001281742390 905190816 /nfs/dbraw/zinc/19/08/16/905190816.db2.gz DBVXZHZOXMNHMW-DOTOQJQBSA-N 2 2 321.465 1.138 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001281742390 905190820 /nfs/dbraw/zinc/19/08/20/905190820.db2.gz DBVXZHZOXMNHMW-DOTOQJQBSA-N 2 2 321.465 1.138 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001281862524 905274661 /nfs/dbraw/zinc/27/46/61/905274661.db2.gz OYTJLNGAAREKNQ-INIZCTEOSA-N 2 2 316.449 1.919 20 30 DDEDLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282204817 905614504 /nfs/dbraw/zinc/61/45/04/905614504.db2.gz ALNFCYJZQULJJE-LSDHHAIUSA-N 2 2 310.401 1.487 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284631469 909276257 /nfs/dbraw/zinc/27/62/57/909276257.db2.gz NLTKDESHOWLDIW-NFAWXSAZSA-N 2 2 302.422 1.277 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284630237 909276571 /nfs/dbraw/zinc/27/65/71/909276571.db2.gz IFJNJCKUKBBRIE-IIAWOOMASA-N 2 2 316.449 1.667 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001284701969 909373680 /nfs/dbraw/zinc/37/36/80/909373680.db2.gz IDHUFUWXLKAEKO-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397149756 915285221 /nfs/dbraw/zinc/28/52/21/915285221.db2.gz PNANILNMUUXVRF-CZIWCDLHSA-N 2 2 323.400 1.439 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001375762748 916897315 /nfs/dbraw/zinc/89/73/15/916897315.db2.gz RSNUZJXUCQEJBK-BFHYXJOUSA-N 2 2 322.840 1.857 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000329008397 539300329 /nfs/dbraw/zinc/30/03/29/539300329.db2.gz ZQPLVJJGDUQDPL-RDBSUJKOSA-N 2 2 304.394 1.336 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000329008397 539300330 /nfs/dbraw/zinc/30/03/30/539300330.db2.gz ZQPLVJJGDUQDPL-RDBSUJKOSA-N 2 2 304.394 1.336 20 30 DDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265977851 186345253 /nfs/dbraw/zinc/34/52/53/186345253.db2.gz LYZZXPWCHROYLV-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265977851 186345255 /nfs/dbraw/zinc/34/52/55/186345255.db2.gz LYZZXPWCHROYLV-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000265977851 186345257 /nfs/dbraw/zinc/34/52/57/186345257.db2.gz LYZZXPWCHROYLV-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265977851 186345259 /nfs/dbraw/zinc/34/52/59/186345259.db2.gz LYZZXPWCHROYLV-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000265988339 186350122 /nfs/dbraw/zinc/35/01/22/186350122.db2.gz ILIWJCGLCVPCCV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C ZINC000265988339 186350123 /nfs/dbraw/zinc/35/01/23/186350123.db2.gz ILIWJCGLCVPCCV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988339 186350125 /nfs/dbraw/zinc/35/01/25/186350125.db2.gz ILIWJCGLCVPCCV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988339 186350127 /nfs/dbraw/zinc/35/01/27/186350127.db2.gz ILIWJCGLCVPCCV-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccncc1C#N ZINC000592082787 355488874 /nfs/dbraw/zinc/48/88/74/355488874.db2.gz CYULWIPMSQEHMI-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccncc1C#N ZINC000592082787 355488875 /nfs/dbraw/zinc/48/88/75/355488875.db2.gz CYULWIPMSQEHMI-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000593051125 355780640 /nfs/dbraw/zinc/78/06/40/355780640.db2.gz WUWZKCDESSNRSN-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000593051125 355780642 /nfs/dbraw/zinc/78/06/42/355780642.db2.gz WUWZKCDESSNRSN-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP CC[NH+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000593155498 355813713 /nfs/dbraw/zinc/81/37/13/355813713.db2.gz WMHOZAFGCZNUOF-MRXNPFEDSA-N 2 2 306.410 1.695 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000594438045 356214995 /nfs/dbraw/zinc/21/49/95/356214995.db2.gz MKCCFPWAUSTNJT-HZPDHXFCSA-N 2 2 322.453 1.111 20 30 DDEDLP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595046707 356376930 /nfs/dbraw/zinc/37/69/30/356376930.db2.gz NKPWKMNVDGLUSP-OAHLLOKOSA-N 2 2 324.432 1.792 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000596514992 356902562 /nfs/dbraw/zinc/90/25/62/356902562.db2.gz PWHUDIQUKOHUSH-OAHLLOKOSA-N 2 2 321.469 1.348 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600726294 358298043 /nfs/dbraw/zinc/29/80/43/358298043.db2.gz SFIBBBWUEFSEKG-DLBZAZTESA-N 2 2 317.433 1.762 20 30 DDEDLP COC1CC[NH+](CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602587994 359057786 /nfs/dbraw/zinc/05/77/86/359057786.db2.gz KVKIXPZSNWGIDV-HNNXBMFYSA-N 2 2 309.454 1.786 20 30 DDEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958008 223053693 /nfs/dbraw/zinc/05/36/93/223053693.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958008 223053696 /nfs/dbraw/zinc/05/36/96/223053696.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958008 223053698 /nfs/dbraw/zinc/05/36/98/223053698.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958008 223053701 /nfs/dbraw/zinc/05/37/01/223053701.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958008 223053703 /nfs/dbraw/zinc/05/37/03/223053703.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP C[C@H](NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958008 223053707 /nfs/dbraw/zinc/05/37/07/223053707.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 2 317.437 1.600 20 30 DDEDLP Cc1ncoc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329976962 223055854 /nfs/dbraw/zinc/05/58/54/223055854.db2.gz ZEAHRRUIVMMSON-UHFFFAOYSA-N 2 2 306.410 1.846 20 30 DDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1[nH+]ccn1C ZINC000330023225 223063473 /nfs/dbraw/zinc/06/34/73/223063473.db2.gz IHMCSIYAHVCJOJ-UHFFFAOYSA-N 2 2 313.365 1.461 20 30 DDEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000442714332 229945061 /nfs/dbraw/zinc/94/50/61/229945061.db2.gz JXOHAEHOZVYZHG-HOTGVXAUSA-N 2 2 314.437 1.271 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000267242888 407803238 /nfs/dbraw/zinc/80/32/38/407803238.db2.gz YABXHWDSQKCTIY-UHFFFAOYSA-N 2 2 324.432 1.939 20 30 DDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153472281 407831020 /nfs/dbraw/zinc/83/10/20/407831020.db2.gz ODZZEXVAXLNDNX-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153472281 407831028 /nfs/dbraw/zinc/83/10/28/407831028.db2.gz ODZZEXVAXLNDNX-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245560889 408019235 /nfs/dbraw/zinc/01/92/35/408019235.db2.gz BZTCLMJIFBDDCN-LSDHHAIUSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245560889 408019240 /nfs/dbraw/zinc/01/92/40/408019240.db2.gz BZTCLMJIFBDDCN-LSDHHAIUSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245560889 408019245 /nfs/dbraw/zinc/01/92/45/408019245.db2.gz BZTCLMJIFBDDCN-LSDHHAIUSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245560889 408019249 /nfs/dbraw/zinc/01/92/49/408019249.db2.gz BZTCLMJIFBDDCN-LSDHHAIUSA-N 2 2 314.437 1.343 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047929 408530902 /nfs/dbraw/zinc/53/09/02/408530902.db2.gz VPDPTICYQGXZBS-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047929 408530909 /nfs/dbraw/zinc/53/09/09/408530909.db2.gz VPDPTICYQGXZBS-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047929 408530915 /nfs/dbraw/zinc/53/09/15/408530915.db2.gz VPDPTICYQGXZBS-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047929 408530921 /nfs/dbraw/zinc/53/09/21/408530921.db2.gz VPDPTICYQGXZBS-NVXWUHKLSA-N 2 2 312.417 1.913 20 30 DDEDLP CC#CCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000185350012 408799515 /nfs/dbraw/zinc/79/95/15/408799515.db2.gz RVJTUGRYMJESRV-UHFFFAOYSA-N 2 2 305.466 1.855 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276524723 408876235 /nfs/dbraw/zinc/87/62/35/408876235.db2.gz DCOCIUAPPFDRKW-BQYQJAHWSA-N 2 2 323.400 1.885 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000292016355 408962687 /nfs/dbraw/zinc/96/26/87/408962687.db2.gz OTFLOMWYYGHWNC-INIZCTEOSA-N 2 2 319.453 1.918 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000297079434 409793289 /nfs/dbraw/zinc/79/32/89/409793289.db2.gz ZFJXMQCSYLBHPL-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000297079434 409793298 /nfs/dbraw/zinc/79/32/98/409793298.db2.gz ZFJXMQCSYLBHPL-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C[N@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643507 410156964 /nfs/dbraw/zinc/15/69/64/410156964.db2.gz DVWKWIQAAKEWFX-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP C[N@@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643507 410156966 /nfs/dbraw/zinc/15/69/66/410156966.db2.gz DVWKWIQAAKEWFX-UHFFFAOYSA-N 2 2 303.406 1.326 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329805222 410448550 /nfs/dbraw/zinc/44/85/50/410448550.db2.gz MTOPQUHPHUEYBM-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329805222 410448554 /nfs/dbraw/zinc/44/85/54/410448554.db2.gz MTOPQUHPHUEYBM-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP N#CC1(F)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000352468528 410660069 /nfs/dbraw/zinc/66/00/69/410660069.db2.gz SOOYDKSCTNGEGG-UHFFFAOYSA-N 2 2 308.401 1.057 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000544677099 416658809 /nfs/dbraw/zinc/65/88/09/416658809.db2.gz YNQQHMCCBUMCEF-UHFFFAOYSA-N 2 2 303.410 1.376 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000360427741 418431513 /nfs/dbraw/zinc/43/15/13/418431513.db2.gz VEPZCKBHMJRVMJ-GOSISDBHSA-N 2 2 311.429 1.428 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000360427741 418431515 /nfs/dbraw/zinc/43/15/15/418431515.db2.gz VEPZCKBHMJRVMJ-GOSISDBHSA-N 2 2 311.429 1.428 20 30 DDEDLP N#CCCCOc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000238049470 222209474 /nfs/dbraw/zinc/20/94/74/222209474.db2.gz CFYJTEGERUDDQX-KRWDZBQOSA-N 2 2 317.433 1.915 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264153272 222326811 /nfs/dbraw/zinc/32/68/11/222326811.db2.gz ZSXOHMKLDWZLMM-GOEBONIOSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264153272 222326814 /nfs/dbraw/zinc/32/68/14/222326814.db2.gz ZSXOHMKLDWZLMM-GOEBONIOSA-N 2 2 304.438 1.590 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264067097 222313031 /nfs/dbraw/zinc/31/30/31/222313031.db2.gz BPYBSZDWQAYMRR-LLVKDONJSA-N 2 2 302.382 1.015 20 30 DDEDLP CCNC(NCc1cccc(C[NH+]2CCOCC2)c1)=[NH+]CC ZINC000264094709 222317257 /nfs/dbraw/zinc/31/72/57/222317257.db2.gz MBUJSPGBHHYXFN-UHFFFAOYSA-N 2 2 304.438 1.594 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000375504809 418650868 /nfs/dbraw/zinc/65/08/68/418650868.db2.gz DDQVDPLKTXNRGW-CDHAZOANSA-N 2 2 323.400 1.962 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3cccnc3C#N)CC2)CC1 ZINC000378055162 418718259 /nfs/dbraw/zinc/71/82/59/418718259.db2.gz IJULMJAKBCZJEB-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371084272 418761308 /nfs/dbraw/zinc/76/13/08/418761308.db2.gz CJYOPWMCTZFQPX-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371084272 418761310 /nfs/dbraw/zinc/76/13/10/418761310.db2.gz CJYOPWMCTZFQPX-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365665306 418891367 /nfs/dbraw/zinc/89/13/67/418891367.db2.gz BALYVOVTTZYXGU-UKRRQHHQSA-N 2 2 302.378 1.295 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365665306 418891370 /nfs/dbraw/zinc/89/13/70/418891370.db2.gz BALYVOVTTZYXGU-UKRRQHHQSA-N 2 2 302.378 1.295 20 30 DDEDLP Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425202000 228389356 /nfs/dbraw/zinc/38/93/56/228389356.db2.gz BZJRQDYAJCQPKU-KBPBESRZSA-N 2 2 302.422 1.983 20 30 DDEDLP CC(C)([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418419223 419787750 /nfs/dbraw/zinc/78/77/50/419787750.db2.gz ZKEDLDNRLHSAKQ-UHFFFAOYSA-N 2 2 315.421 1.123 20 30 DDEDLP C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013258 419806091 /nfs/dbraw/zinc/80/60/91/419806091.db2.gz FDVYOKYRXTVLNA-SFHVURJKSA-N 2 2 323.481 1.332 20 30 DDEDLP C=C[C@](C)(O)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013258 419806096 /nfs/dbraw/zinc/80/60/96/419806096.db2.gz FDVYOKYRXTVLNA-SFHVURJKSA-N 2 2 323.481 1.332 20 30 DDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC1(C#N)CCC1 ZINC000450817926 420538132 /nfs/dbraw/zinc/53/81/32/420538132.db2.gz YYUVISXUGAEAOR-GJZGRUSLSA-N 2 2 319.428 1.958 20 30 DDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC1(C#N)CCC1 ZINC000450817926 420538136 /nfs/dbraw/zinc/53/81/36/420538136.db2.gz YYUVISXUGAEAOR-GJZGRUSLSA-N 2 2 319.428 1.958 20 30 DDEDLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1 ZINC000574749913 422170679 /nfs/dbraw/zinc/17/06/79/422170679.db2.gz NHQILKIEHZPXJO-GFCCVEGCSA-N 2 2 310.405 1.994 20 30 DDEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000651752696 423670631 /nfs/dbraw/zinc/67/06/31/423670631.db2.gz PYSQCDULVQNPNJ-IXDOHACOSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664539310 424633087 /nfs/dbraw/zinc/63/30/87/424633087.db2.gz MMCXGTAFAKNEKY-CALCHBBNSA-N 2 2 320.481 1.905 20 30 DDEDLP C[C@@H]1CN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000262471616 278627363 /nfs/dbraw/zinc/62/73/63/278627363.db2.gz PCMVRVASWFBBPD-CABCVRRESA-N 2 2 320.437 1.842 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449112581 289020730 /nfs/dbraw/zinc/02/07/30/289020730.db2.gz RUHZXXXVUDTWDF-UPTPFMHGSA-N 2 2 320.481 1.991 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449112581 289020731 /nfs/dbraw/zinc/02/07/31/289020731.db2.gz RUHZXXXVUDTWDF-UPTPFMHGSA-N 2 2 320.481 1.991 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536975 290187804 /nfs/dbraw/zinc/18/78/04/290187804.db2.gz URROJGLBGMUYEX-MRXNPFEDSA-N 2 2 304.438 1.357 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536975 290187807 /nfs/dbraw/zinc/18/78/07/290187807.db2.gz URROJGLBGMUYEX-MRXNPFEDSA-N 2 2 304.438 1.357 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536975 290187810 /nfs/dbraw/zinc/18/78/10/290187810.db2.gz URROJGLBGMUYEX-MRXNPFEDSA-N 2 2 304.438 1.357 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536975 290187814 /nfs/dbraw/zinc/18/78/14/290187814.db2.gz URROJGLBGMUYEX-MRXNPFEDSA-N 2 2 304.438 1.357 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576562 335654303 /nfs/dbraw/zinc/65/43/03/335654303.db2.gz RFVIRPAZRLLMQQ-UHFFFAOYSA-N 2 2 315.421 1.720 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)CC1 ZINC000520792081 337390965 /nfs/dbraw/zinc/39/09/65/337390965.db2.gz FHLHPENPJLGPED-YJBOKZPZSA-N 2 2 318.465 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)CC1 ZINC000520792081 337390966 /nfs/dbraw/zinc/39/09/66/337390966.db2.gz FHLHPENPJLGPED-YJBOKZPZSA-N 2 2 318.465 1.555 20 30 DDEDLP C=CCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684139453 486261458 /nfs/dbraw/zinc/26/14/58/486261458.db2.gz AEMHSAJXUBMXBI-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684139453 486261463 /nfs/dbraw/zinc/26/14/63/486261463.db2.gz AEMHSAJXUBMXBI-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP C#CCNC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491769538 526971052 /nfs/dbraw/zinc/97/10/52/526971052.db2.gz KSDRMHHYPOOIOY-UHFFFAOYSA-N 2 2 322.412 1.834 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213326 696709664 /nfs/dbraw/zinc/70/96/64/696709664.db2.gz GQWOZMKHTDKVGL-ZNMIVQPWSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213326 696709666 /nfs/dbraw/zinc/70/96/66/696709666.db2.gz GQWOZMKHTDKVGL-ZNMIVQPWSA-N 2 2 300.406 1.111 20 30 DDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429275 695248845 /nfs/dbraw/zinc/24/88/45/695248845.db2.gz BOLZWNYUQYZEPD-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429275 695248847 /nfs/dbraw/zinc/24/88/47/695248847.db2.gz BOLZWNYUQYZEPD-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429472 695249112 /nfs/dbraw/zinc/24/91/12/695249112.db2.gz HSKOSKPTTPONOG-QGZVFWFLSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429472 695249113 /nfs/dbraw/zinc/24/91/13/695249113.db2.gz HSKOSKPTTPONOG-QGZVFWFLSA-N 2 2 323.400 1.557 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000972548087 695278881 /nfs/dbraw/zinc/27/88/81/695278881.db2.gz FUCOGJXDGVNMCW-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP 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697107941 /nfs/dbraw/zinc/10/79/41/697107941.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 2 2 314.433 1.381 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981482705 697107943 /nfs/dbraw/zinc/10/79/43/697107943.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 2 2 314.433 1.381 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482705 697107947 /nfs/dbraw/zinc/10/79/47/697107947.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 2 2 314.433 1.381 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987068916 697983921 /nfs/dbraw/zinc/98/39/21/697983921.db2.gz PCPSXIJKQPRNBA-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000328186589 698745575 /nfs/dbraw/zinc/74/55/75/698745575.db2.gz OVBPAIKZYTTZOW-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000328186589 698745577 /nfs/dbraw/zinc/74/55/77/698745577.db2.gz OVBPAIKZYTTZOW-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738550 698746939 /nfs/dbraw/zinc/74/69/39/698746939.db2.gz FSZOAQMRVOZLNT-KRWDZBQOSA-N 2 2 305.466 1.664 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738550 698746940 /nfs/dbraw/zinc/74/69/40/698746940.db2.gz FSZOAQMRVOZLNT-KRWDZBQOSA-N 2 2 305.466 1.664 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804535683 701198346 /nfs/dbraw/zinc/19/83/46/701198346.db2.gz UIGMSTIKAWHFDM-SFHVURJKSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000804535683 701198349 /nfs/dbraw/zinc/19/83/49/701198349.db2.gz UIGMSTIKAWHFDM-SFHVURJKSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000804535683 701198351 /nfs/dbraw/zinc/19/83/51/701198351.db2.gz UIGMSTIKAWHFDM-SFHVURJKSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000804535683 701198353 /nfs/dbraw/zinc/19/83/53/701198353.db2.gz UIGMSTIKAWHFDM-SFHVURJKSA-N 2 2 311.429 1.427 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166340 706648339 /nfs/dbraw/zinc/64/83/39/706648339.db2.gz UBDUSSZBLAVLTM-IKGGRYGDSA-N 2 2 323.481 1.329 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166340 706648341 /nfs/dbraw/zinc/64/83/41/706648341.db2.gz UBDUSSZBLAVLTM-IKGGRYGDSA-N 2 2 323.481 1.329 20 30 DDEDLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000866353583 706679805 /nfs/dbraw/zinc/67/98/05/706679805.db2.gz UUCPOMZQUXKDFG-AWEZNQCLSA-N 2 2 316.449 1.940 20 30 DDEDLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000866353583 706679808 /nfs/dbraw/zinc/67/98/08/706679808.db2.gz UUCPOMZQUXKDFG-AWEZNQCLSA-N 2 2 316.449 1.940 20 30 DDEDLP C=C(C)CONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845605981 703181382 /nfs/dbraw/zinc/18/13/82/703181382.db2.gz RVSBAUXBDDZYQA-OAHLLOKOSA-N 2 2 310.442 1.304 20 30 DDEDLP C=C(C)CONC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845605981 703181383 /nfs/dbraw/zinc/18/13/83/703181383.db2.gz RVSBAUXBDDZYQA-OAHLLOKOSA-N 2 2 310.442 1.304 20 30 DDEDLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]([NH3+])CCCCC#N)c1C ZINC000848411628 703547718 /nfs/dbraw/zinc/54/77/18/703547718.db2.gz AMAXVJCNECIHRF-ZDUSSCGKSA-N 2 2 304.394 1.735 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C#N)ccc1F ZINC000855418321 704484729 /nfs/dbraw/zinc/48/47/29/704484729.db2.gz ZDJNBRZYYGSFER-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C#N)ccc1F ZINC000855418321 704484730 /nfs/dbraw/zinc/48/47/30/704484730.db2.gz ZDJNBRZYYGSFER-UHFFFAOYSA-N 2 2 306.385 1.311 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000876738146 705850163 /nfs/dbraw/zinc/85/01/63/705850163.db2.gz ZIGBMNBJAKKRII-OAHLLOKOSA-N 2 2 323.824 1.927 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260261 706924003 /nfs/dbraw/zinc/92/40/03/706924003.db2.gz AADYSERLXSNXSG-LSDHHAIUSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260261 706924005 /nfs/dbraw/zinc/92/40/05/706924005.db2.gz AADYSERLXSNXSG-LSDHHAIUSA-N 2 2 315.421 1.353 20 30 DDEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000903063362 711021058 /nfs/dbraw/zinc/02/10/58/711021058.db2.gz CGJOAXSIAQUXEF-IRXDYDNUSA-N 2 2 314.433 1.939 20 30 DDEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000903063362 711021062 /nfs/dbraw/zinc/02/10/62/711021062.db2.gz CGJOAXSIAQUXEF-IRXDYDNUSA-N 2 2 314.433 1.939 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000928648050 713249553 /nfs/dbraw/zinc/24/95/53/713249553.db2.gz DUSKPRLNXOSJGG-UHFFFAOYSA-N 2 2 324.384 1.405 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000931718181 714168574 /nfs/dbraw/zinc/16/85/74/714168574.db2.gz LQMQJSUNCDJJFR-ARFHVFGLSA-N 2 2 307.438 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ZINC001272591099 846369556 /nfs/dbraw/zinc/36/95/56/846369556.db2.gz PGLABCJNWMIVOT-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249652 848156869 /nfs/dbraw/zinc/15/68/69/848156869.db2.gz MMZZSJGEOHBVJM-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249652 848156875 /nfs/dbraw/zinc/15/68/75/848156875.db2.gz MMZZSJGEOHBVJM-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277175 848233192 /nfs/dbraw/zinc/23/31/92/848233192.db2.gz VRNISFLZTNMMGE-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277175 848233199 /nfs/dbraw/zinc/23/31/99/848233199.db2.gz VRNISFLZTNMMGE-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278073 848236143 /nfs/dbraw/zinc/23/61/43/848236143.db2.gz HKBCHRRDVDNKPK-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278073 848236150 /nfs/dbraw/zinc/23/61/50/848236150.db2.gz HKBCHRRDVDNKPK-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279781 848241727 /nfs/dbraw/zinc/24/17/27/848241727.db2.gz XBDOXJHPPPRSEA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279781 848241739 /nfs/dbraw/zinc/24/17/39/848241739.db2.gz XBDOXJHPPPRSEA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480694 862263640 /nfs/dbraw/zinc/26/36/40/862263640.db2.gz OXBGXUHGDUIOLD-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480694 862263654 /nfs/dbraw/zinc/26/36/54/862263654.db2.gz OXBGXUHGDUIOLD-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP 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1.556 20 30 DDEDLP C=CCN1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772585 860181680 /nfs/dbraw/zinc/18/16/80/860181680.db2.gz RSPXDNKLCQXKLH-UHFFFAOYSA-N 2 2 303.450 1.931 20 30 DDEDLP C=CC[N@@H+](C)CCN(CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001156672059 863251608 /nfs/dbraw/zinc/25/16/08/863251608.db2.gz DPJWVJFTZWPGJP-PEZBUJJGSA-N 2 2 309.454 1.231 20 30 DDEDLP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001329357030 863617944 /nfs/dbraw/zinc/61/79/44/863617944.db2.gz WYUPGUHZVXQXID-UHFFFAOYSA-N 2 2 304.438 1.785 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154093209 864404904 /nfs/dbraw/zinc/40/49/04/864404904.db2.gz VCHMQSLIKBSULW-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154093209 864404908 /nfs/dbraw/zinc/40/49/08/864404908.db2.gz VCHMQSLIKBSULW-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529312 865914492 /nfs/dbraw/zinc/91/44/92/865914492.db2.gz GMZVMMNCKTUXRF-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529312 865914497 /nfs/dbraw/zinc/91/44/97/865914497.db2.gz GMZVMMNCKTUXRF-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001320151681 866517506 /nfs/dbraw/zinc/51/75/06/866517506.db2.gz RIZARWMLZGGQBO-LSDHHAIUSA-N 2 2 302.422 1.251 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994083 867168082 /nfs/dbraw/zinc/16/80/82/867168082.db2.gz SKEWFEXIRDXIGH-UHFFFAOYSA-N 2 2 314.433 1.825 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994083 867168089 /nfs/dbraw/zinc/16/80/89/867168089.db2.gz SKEWFEXIRDXIGH-UHFFFAOYSA-N 2 2 314.433 1.825 20 30 DDEDLP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322582651 868261969 /nfs/dbraw/zinc/26/19/69/868261969.db2.gz VCUFZBDSYMWUJQ-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163274633 868296930 /nfs/dbraw/zinc/29/69/30/868296930.db2.gz ASTQPXKMEMELAT-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163274633 868296945 /nfs/dbraw/zinc/29/69/45/868296945.db2.gz ASTQPXKMEMELAT-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCCCO1 ZINC001335857503 868580732 /nfs/dbraw/zinc/58/07/32/868580732.db2.gz RSSOMBBKTGWBGC-CQSZACIVSA-N 2 2 307.442 1.786 20 30 DDEDLP C=CC(NCc1ccc(C[NH+]2CCOCC2)cc1)=[NH+]COC ZINC001165368086 869550386 /nfs/dbraw/zinc/55/03/86/869550386.db2.gz NTMQTPUKRJIYSM-UHFFFAOYSA-N 2 2 303.406 1.797 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501335 870932204 /nfs/dbraw/zinc/93/22/04/870932204.db2.gz BTOPIADMAOTNAN-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501335 870932214 /nfs/dbraw/zinc/93/22/14/870932214.db2.gz BTOPIADMAOTNAN-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317762522 871476428 /nfs/dbraw/zinc/47/64/28/871476428.db2.gz XKPXSKDODJWHSR-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317762522 871476438 /nfs/dbraw/zinc/47/64/38/871476438.db2.gz XKPXSKDODJWHSR-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516048 871601001 /nfs/dbraw/zinc/60/10/01/871601001.db2.gz MIIYDTJAVFJXSB-UHFFFAOYSA-N 2 2 315.417 1.484 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556112 871627661 /nfs/dbraw/zinc/62/76/61/871627661.db2.gz KZLGBGHFROWLRR-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001319363209 872596744 /nfs/dbraw/zinc/59/67/44/872596744.db2.gz UEKNVAFFGRRTSP-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450959 874152552 /nfs/dbraw/zinc/15/25/52/874152552.db2.gz OPZXGOBTEMJWRK-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729806 875082878 /nfs/dbraw/zinc/08/28/78/875082878.db2.gz CWNHKXCBFJKVOQ-NVXWUHKLSA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729806 875082882 /nfs/dbraw/zinc/08/28/82/875082882.db2.gz CWNHKXCBFJKVOQ-NVXWUHKLSA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672625 876434030 /nfs/dbraw/zinc/43/40/30/876434030.db2.gz QJYUGMCWFUVLQP-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379133951 876482742 /nfs/dbraw/zinc/48/27/42/876482742.db2.gz UEFJFOQPBVJVDE-QGZVFWFLSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379133951 876482745 /nfs/dbraw/zinc/48/27/45/876482745.db2.gz UEFJFOQPBVJVDE-QGZVFWFLSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379133951 876482747 /nfs/dbraw/zinc/48/27/47/876482747.db2.gz UEFJFOQPBVJVDE-QGZVFWFLSA-N 2 2 314.433 1.400 20 30 DDEDLP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379133951 876482749 /nfs/dbraw/zinc/48/27/49/876482749.db2.gz UEFJFOQPBVJVDE-QGZVFWFLSA-N 2 2 314.433 1.400 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001217729498 877295520 /nfs/dbraw/zinc/29/55/20/877295520.db2.gz DAGHDBSQCUQWPR-LSDHHAIUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001217729498 877295537 /nfs/dbraw/zinc/29/55/37/877295537.db2.gz DAGHDBSQCUQWPR-LSDHHAIUSA-N 2 2 318.421 1.220 20 30 DDEDLP N#Cc1cc(N)c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1C#N ZINC001218987242 877853412 /nfs/dbraw/zinc/85/34/12/877853412.db2.gz KLNHMJZGRBEUKB-HNNXBMFYSA-N 2 2 320.356 1.223 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219270340 878073104 /nfs/dbraw/zinc/07/31/04/878073104.db2.gz FWWUSCUWAKRJFG-PBHICJAKSA-N 2 2 306.369 1.853 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC001356618255 879134956 /nfs/dbraw/zinc/13/49/56/879134956.db2.gz JMKYWKRMDLYHLM-QGZVFWFLSA-N 2 2 320.408 1.390 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001228075102 883319700 /nfs/dbraw/zinc/31/97/00/883319700.db2.gz NRKLBZJXHQGYPI-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229045581 883788348 /nfs/dbraw/zinc/78/83/48/883788348.db2.gz CRXFEBFTENVGTA-FVQBIDKESA-N 2 2 302.422 1.629 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229045581 883788357 /nfs/dbraw/zinc/78/83/57/883788357.db2.gz CRXFEBFTENVGTA-FVQBIDKESA-N 2 2 302.422 1.629 20 30 DDEDLP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230617816 884657165 /nfs/dbraw/zinc/65/71/65/884657165.db2.gz GGFMJTZGUGKOHF-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230617816 884657172 /nfs/dbraw/zinc/65/71/72/884657172.db2.gz GGFMJTZGUGKOHF-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC(=O)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277852642 887927676 /nfs/dbraw/zinc/92/76/76/887927676.db2.gz YZOFSIQQDAWLID-UHFFFAOYSA-N 2 2 314.433 1.774 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(C#N)c1 ZINC001366344353 893245072 /nfs/dbraw/zinc/24/50/72/893245072.db2.gz JEBDYDKWUNLFDN-CYBMUJFWSA-N 2 2 311.389 1.129 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252469202 895184572 /nfs/dbraw/zinc/18/45/72/895184572.db2.gz WXXDPEGCKHFQHQ-SJORKVTESA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252469202 895184574 /nfs/dbraw/zinc/18/45/74/895184574.db2.gz WXXDPEGCKHFQHQ-SJORKVTESA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOCC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001265743317 902359254 /nfs/dbraw/zinc/35/92/54/902359254.db2.gz KHRSIKHNJZEWBI-UHFFFAOYSA-N 2 2 320.437 1.182 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001280419064 903655926 /nfs/dbraw/zinc/65/59/26/903655926.db2.gz VWBXRERUHFHTKF-QGZVFWFLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001280419064 903655936 /nfs/dbraw/zinc/65/59/36/903655936.db2.gz VWBXRERUHFHTKF-QGZVFWFLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)CCC)O2 ZINC001280931194 904203370 /nfs/dbraw/zinc/20/33/70/904203370.db2.gz JYTZYBDJOPKHRH-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)CCC)O2 ZINC001280931194 904203380 /nfs/dbraw/zinc/20/33/80/904203380.db2.gz JYTZYBDJOPKHRH-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393236775 906526316 /nfs/dbraw/zinc/52/63/16/906526316.db2.gz XGHARRRSUBIKPW-LBPRGKRZSA-N 2 2 323.815 1.764 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393236775 906526325 /nfs/dbraw/zinc/52/63/25/906526325.db2.gz XGHARRRSUBIKPW-LBPRGKRZSA-N 2 2 323.815 1.764 20 30 DDEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001373332950 909539699 /nfs/dbraw/zinc/53/96/99/909539699.db2.gz FDFAAXMXHLFOOX-UHFFFAOYSA-N 2 2 310.829 1.806 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001373332950 909539710 /nfs/dbraw/zinc/53/97/10/909539710.db2.gz FDFAAXMXHLFOOX-UHFFFAOYSA-N 2 2 310.829 1.806 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130435 915055070 /nfs/dbraw/zinc/05/50/70/915055070.db2.gz BJSDYBFYPZSARS-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130435 915055088 /nfs/dbraw/zinc/05/50/88/915055088.db2.gz BJSDYBFYPZSARS-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579215303 354716961 /nfs/dbraw/zinc/71/69/61/354716961.db2.gz XCFJWFWIGGLLJV-OAHLLOKOSA-N 2 2 318.421 1.036 20 30 DDEDLP C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579215303 354716964 /nfs/dbraw/zinc/71/69/64/354716964.db2.gz XCFJWFWIGGLLJV-OAHLLOKOSA-N 2 2 318.421 1.036 20 30 DDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000591765463 355380296 /nfs/dbraw/zinc/38/02/96/355380296.db2.gz CIUXYGRDKYNFHQ-AKNDPVLGSA-N 2 2 309.454 1.376 20 30 DDEDLP N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000591664647 355356891 /nfs/dbraw/zinc/35/68/91/355356891.db2.gz MZVXNJWMMCZVMA-OIISXLGYSA-N 2 2 303.381 1.775 20 30 DDEDLP N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000591664647 355356894 /nfs/dbraw/zinc/35/68/94/355356894.db2.gz MZVXNJWMMCZVMA-OIISXLGYSA-N 2 2 303.381 1.775 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000594437939 356213766 /nfs/dbraw/zinc/21/37/66/356213766.db2.gz XXHYONILWGCNTL-HNNXBMFYSA-N 2 2 311.389 1.900 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000594440694 356215533 /nfs/dbraw/zinc/21/55/33/356215533.db2.gz HUIFBCWNRPSCCE-CQSZACIVSA-N 2 2 320.462 1.634 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000594440694 356215536 /nfs/dbraw/zinc/21/55/36/356215536.db2.gz HUIFBCWNRPSCCE-CQSZACIVSA-N 2 2 320.462 1.634 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@](C)(C#N)C3)C2)CC1 ZINC000595519364 356531217 /nfs/dbraw/zinc/53/12/17/356531217.db2.gz XIRRKWAGAOPWGD-RHSMWYFYSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](C)(C#N)C3)C2)CC1 ZINC000595519364 356531220 /nfs/dbraw/zinc/53/12/20/356531220.db2.gz XIRRKWAGAOPWGD-RHSMWYFYSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000596425612 356875428 /nfs/dbraw/zinc/87/54/28/356875428.db2.gz SLGZKYHECMQXLL-UHFFFAOYSA-N 2 2 305.382 1.762 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000596425612 356875429 /nfs/dbraw/zinc/87/54/29/356875429.db2.gz SLGZKYHECMQXLL-UHFFFAOYSA-N 2 2 305.382 1.762 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598591226 357644323 /nfs/dbraw/zinc/64/43/23/357644323.db2.gz WYWPQCAIJFGXBL-CQSZACIVSA-N 2 2 318.421 1.513 20 30 DDEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602535070 359032340 /nfs/dbraw/zinc/03/23/40/359032340.db2.gz MPFGZBHEJXCLIF-HOTGVXAUSA-N 2 2 309.454 1.786 20 30 DDEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602535070 359032342 /nfs/dbraw/zinc/03/23/42/359032342.db2.gz MPFGZBHEJXCLIF-HOTGVXAUSA-N 2 2 309.454 1.786 20 30 DDEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611030907 360606968 /nfs/dbraw/zinc/60/69/68/360606968.db2.gz AMQCEBXZVFGGFU-OAHLLOKOSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611030907 360606975 /nfs/dbraw/zinc/60/69/75/360606975.db2.gz AMQCEBXZVFGGFU-OAHLLOKOSA-N 2 2 315.421 1.127 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1=O ZINC000613255865 361352017 /nfs/dbraw/zinc/35/20/17/361352017.db2.gz PVJJIZKJMDHVMU-KKUMJFAQSA-N 2 2 315.421 1.583 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156409085 197110895 /nfs/dbraw/zinc/11/08/95/197110895.db2.gz CTBKWHSZPSUGOM-GOSISDBHSA-N 2 2 317.433 1.370 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156409085 197110898 /nfs/dbraw/zinc/11/08/98/197110898.db2.gz CTBKWHSZPSUGOM-GOSISDBHSA-N 2 2 317.433 1.370 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151737588 407488730 /nfs/dbraw/zinc/48/87/30/407488730.db2.gz OVFBJLWBFYBXDR-CQSZACIVSA-N 2 2 303.410 1.139 20 30 DDEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829804 407730491 /nfs/dbraw/zinc/73/04/91/407730491.db2.gz DSUNRXYDRVZQQU-HOCLYGCPSA-N 2 2 302.422 1.485 20 30 DDEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829804 407730504 /nfs/dbraw/zinc/73/05/04/407730504.db2.gz DSUNRXYDRVZQQU-HOCLYGCPSA-N 2 2 302.422 1.485 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686514 408355054 /nfs/dbraw/zinc/35/50/54/408355054.db2.gz ASYHEJKYLSLVOW-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686514 408355057 /nfs/dbraw/zinc/35/50/57/408355057.db2.gz ASYHEJKYLSLVOW-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686514 408355059 /nfs/dbraw/zinc/35/50/59/408355059.db2.gz ASYHEJKYLSLVOW-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686514 408355063 /nfs/dbraw/zinc/35/50/63/408355063.db2.gz ASYHEJKYLSLVOW-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP COCC1=CC[NH+](CC#CC[N@H+]2CC=C(COC)CC2)CC1 ZINC000284119357 409279838 /nfs/dbraw/zinc/27/98/38/409279838.db2.gz NNLUHYBOOJDLAR-UHFFFAOYSA-N 2 2 304.434 1.547 20 30 DDEDLP COCC1=CC[NH+](CC#CC[N@@H+]2CC=C(COC)CC2)CC1 ZINC000284119357 409279839 /nfs/dbraw/zinc/27/98/39/409279839.db2.gz NNLUHYBOOJDLAR-UHFFFAOYSA-N 2 2 304.434 1.547 20 30 DDEDLP Cc1[nH+]cc(C[NH2+]CCn2cnc(C#N)n2)n1-c1ccccc1 ZINC000285547734 409485083 /nfs/dbraw/zinc/48/50/83/409485083.db2.gz QMROHXYMKHRLEE-UHFFFAOYSA-N 2 2 307.361 1.434 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000357140345 409902574 /nfs/dbraw/zinc/90/25/74/409902574.db2.gz RABGOUXMOGPLMQ-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP C[N@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357317901 409973076 /nfs/dbraw/zinc/97/30/76/409973076.db2.gz QYKZZDDZCFUEQD-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C[N@@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357317901 409973087 /nfs/dbraw/zinc/97/30/87/409973087.db2.gz QYKZZDDZCFUEQD-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000330224259 410591798 /nfs/dbraw/zinc/59/17/98/410591798.db2.gz AQOORGMCADEKHB-HIFRSBDPSA-N 2 2 324.469 1.368 20 30 DDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000330224259 410591802 /nfs/dbraw/zinc/59/18/02/410591802.db2.gz AQOORGMCADEKHB-HIFRSBDPSA-N 2 2 324.469 1.368 20 30 DDEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000353447153 410992315 /nfs/dbraw/zinc/99/23/15/410992315.db2.gz HVMJLCBQFJXMHX-MRXNPFEDSA-N 2 2 308.447 1.998 20 30 DDEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000353447153 410992321 /nfs/dbraw/zinc/99/23/21/410992321.db2.gz HVMJLCBQFJXMHX-MRXNPFEDSA-N 2 2 308.447 1.998 20 30 DDEDLP C=CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000374489875 418535560 /nfs/dbraw/zinc/53/55/60/418535560.db2.gz UOLMCTLUCADBPN-UHFFFAOYSA-N 2 2 320.481 1.905 20 30 DDEDLP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985814 222265829 /nfs/dbraw/zinc/26/58/29/222265829.db2.gz QACMHBDNWPSLPM-GOEBONIOSA-N 3 2 318.469 1.436 20 30 DDEDLP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985814 222265830 /nfs/dbraw/zinc/26/58/30/222265830.db2.gz QACMHBDNWPSLPM-GOEBONIOSA-N 3 2 318.469 1.436 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132257 222226917 /nfs/dbraw/zinc/22/69/17/222226917.db2.gz ASYHEJKYLSLVOW-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132257 222226921 /nfs/dbraw/zinc/22/69/21/222226921.db2.gz ASYHEJKYLSLVOW-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132257 222226925 /nfs/dbraw/zinc/22/69/25/222226925.db2.gz ASYHEJKYLSLVOW-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132257 222226928 /nfs/dbraw/zinc/22/69/28/222226928.db2.gz ASYHEJKYLSLVOW-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]=C(NCc1noc(C)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262010598 222268855 /nfs/dbraw/zinc/26/88/55/222268855.db2.gz WMKHUEYIKNWLKI-AAEUAGOBSA-N 2 2 317.397 1.233 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461320 418642600 /nfs/dbraw/zinc/64/26/00/418642600.db2.gz FJEIZZAOLIXDSS-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP N#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266021278 222357559 /nfs/dbraw/zinc/35/75/59/222357559.db2.gz OYUFWTNGSCCOMN-KRWDZBQOSA-N 2 2 315.417 1.743 20 30 DDEDLP N#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266021278 222357563 /nfs/dbraw/zinc/35/75/63/222357563.db2.gz OYUFWTNGSCCOMN-KRWDZBQOSA-N 2 2 315.417 1.743 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293056 418777050 /nfs/dbraw/zinc/77/70/50/418777050.db2.gz FFRLBBLRYPNTIG-GVDBMIGSSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293056 418777051 /nfs/dbraw/zinc/77/70/51/418777051.db2.gz FFRLBBLRYPNTIG-GVDBMIGSSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCCCC[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000365364820 418853884 /nfs/dbraw/zinc/85/38/84/418853884.db2.gz NOSASRQUDSWQHQ-INIZCTEOSA-N 2 2 314.495 1.974 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OC ZINC000415039427 419919757 /nfs/dbraw/zinc/91/97/57/419919757.db2.gz MYWBCOMRMYOODW-OAHLLOKOSA-N 2 2 306.406 1.728 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000527135869 421359868 /nfs/dbraw/zinc/35/98/68/421359868.db2.gz MTGYDFFJYYOHTP-KGLIPLIRSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000527135869 421359870 /nfs/dbraw/zinc/35/98/70/421359870.db2.gz MTGYDFFJYYOHTP-KGLIPLIRSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000530231194 421588846 /nfs/dbraw/zinc/58/88/46/421588846.db2.gz FZBAPUNJQHDOBC-KMFMINBZSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000530231194 421588850 /nfs/dbraw/zinc/58/88/50/421588850.db2.gz FZBAPUNJQHDOBC-KMFMINBZSA-N 2 2 315.417 1.513 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629563313 422731420 /nfs/dbraw/zinc/73/14/20/422731420.db2.gz PIVLRUBNBYYWHS-UTUOFQBUSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629563313 422731423 /nfs/dbraw/zinc/73/14/23/422731423.db2.gz PIVLRUBNBYYWHS-UTUOFQBUSA-N 2 2 305.344 1.232 20 30 DDEDLP C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378471882 267225228 /nfs/dbraw/zinc/22/52/28/267225228.db2.gz IBXRRYVEKQWCSX-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378471882 267225229 /nfs/dbraw/zinc/22/52/29/267225229.db2.gz IBXRRYVEKQWCSX-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143072 277186260 /nfs/dbraw/zinc/18/62/60/277186260.db2.gz MSKJNMWKRBSYJW-MJGOQNOKSA-N 2 2 324.428 1.691 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143072 277186261 /nfs/dbraw/zinc/18/62/61/277186261.db2.gz MSKJNMWKRBSYJW-MJGOQNOKSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143072 277186262 /nfs/dbraw/zinc/18/62/62/277186262.db2.gz MSKJNMWKRBSYJW-MJGOQNOKSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143072 277186263 /nfs/dbraw/zinc/18/62/63/277186263.db2.gz MSKJNMWKRBSYJW-MJGOQNOKSA-N 2 2 324.428 1.691 20 30 DDEDLP C=CCCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000489111069 484221280 /nfs/dbraw/zinc/22/12/80/484221280.db2.gz LDOWAVOYDFYYPO-UHFFFAOYSA-N 2 2 317.499 1.240 20 30 DDEDLP C=CCCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489111069 484221283 /nfs/dbraw/zinc/22/12/83/484221283.db2.gz LDOWAVOYDFYYPO-UHFFFAOYSA-N 2 2 317.499 1.240 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339174982 534282134 /nfs/dbraw/zinc/28/21/34/534282134.db2.gz NNDNDXWBGOUNMV-HYVNUMGLSA-N 2 2 320.481 1.942 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339174982 534282135 /nfs/dbraw/zinc/28/21/35/534282135.db2.gz NNDNDXWBGOUNMV-HYVNUMGLSA-N 2 2 320.481 1.942 20 30 DDEDLP CC#CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000361455632 526322562 /nfs/dbraw/zinc/32/25/62/526322562.db2.gz BUWLYGLUQRCWLP-UHFFFAOYSA-N 2 2 320.481 1.649 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000490594550 526919685 /nfs/dbraw/zinc/91/96/85/526919685.db2.gz SBLMKGHDRBFZNM-UHFFFAOYSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[C@H]([NH2+]CC(=O)N1CC[NH+](CC#C)CC1)c1ccccc1 ZINC000490916017 527175609 /nfs/dbraw/zinc/17/56/09/527175609.db2.gz REYXBBXGADKRCH-SFHVURJKSA-N 2 2 309.413 1.118 20 30 DDEDLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330952172 527384506 /nfs/dbraw/zinc/38/45/06/527384506.db2.gz KZWXCPFAUXIDET-GXTWGEPZSA-N 2 2 320.393 1.362 20 30 DDEDLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330952172 527384508 /nfs/dbraw/zinc/38/45/08/527384508.db2.gz KZWXCPFAUXIDET-GXTWGEPZSA-N 2 2 320.393 1.362 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810721 695100315 /nfs/dbraw/zinc/10/03/15/695100315.db2.gz GQYKMGDXMTXLQT-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810721 695100320 /nfs/dbraw/zinc/10/03/20/695100320.db2.gz GQYKMGDXMTXLQT-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810719 695100326 /nfs/dbraw/zinc/10/03/26/695100326.db2.gz GQYKMGDXMTXLQT-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810719 695100328 /nfs/dbraw/zinc/10/03/28/695100328.db2.gz GQYKMGDXMTXLQT-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486391 695262048 /nfs/dbraw/zinc/26/20/48/695262048.db2.gz GZABXMJOKOVUGO-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486391 695262050 /nfs/dbraw/zinc/26/20/50/695262050.db2.gz GZABXMJOKOVUGO-KRWDZBQOSA-N 2 2 318.421 1.153 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972657381 695311280 /nfs/dbraw/zinc/31/12/80/695311280.db2.gz RBAXOAACRVALQL-QGZVFWFLSA-N 2 2 308.385 1.652 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972657381 695311283 /nfs/dbraw/zinc/31/12/83/695311283.db2.gz RBAXOAACRVALQL-QGZVFWFLSA-N 2 2 308.385 1.652 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675414 695709707 /nfs/dbraw/zinc/70/97/07/695709707.db2.gz SWCIQEYMELTRTA-LSDHHAIUSA-N 2 2 314.433 1.610 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675414 695709708 /nfs/dbraw/zinc/70/97/08/695709708.db2.gz SWCIQEYMELTRTA-LSDHHAIUSA-N 2 2 314.433 1.610 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974685939 695711751 /nfs/dbraw/zinc/71/17/51/695711751.db2.gz MOMMKZVKWRMOIJ-JKSUJKDBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974685939 695711753 /nfs/dbraw/zinc/71/17/53/695711753.db2.gz MOMMKZVKWRMOIJ-JKSUJKDBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC000974685939 695711754 /nfs/dbraw/zinc/71/17/54/695711754.db2.gz MOMMKZVKWRMOIJ-JKSUJKDBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC000974685939 695711756 /nfs/dbraw/zinc/71/17/56/695711756.db2.gz MOMMKZVKWRMOIJ-JKSUJKDBSA-N 2 2 303.450 1.321 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734029 695721669 /nfs/dbraw/zinc/72/16/69/695721669.db2.gz KWMBPYKLYDMWAM-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734029 695721671 /nfs/dbraw/zinc/72/16/71/695721671.db2.gz KWMBPYKLYDMWAM-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974827850 695744255 /nfs/dbraw/zinc/74/42/55/695744255.db2.gz RQFWMXDOJHIUOX-MRXNPFEDSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974827850 695744257 /nfs/dbraw/zinc/74/42/57/695744257.db2.gz RQFWMXDOJHIUOX-MRXNPFEDSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978478874 696389273 /nfs/dbraw/zinc/38/92/73/696389273.db2.gz FRVKBNBBPMWDEY-QKDCVEJESA-N 2 2 310.401 1.818 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978478874 696389275 /nfs/dbraw/zinc/38/92/75/696389275.db2.gz FRVKBNBBPMWDEY-QKDCVEJESA-N 2 2 310.401 1.818 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851806 696943551 /nfs/dbraw/zinc/94/35/51/696943551.db2.gz XDYQXVOFGDUIRY-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000981851806 696943553 /nfs/dbraw/zinc/94/35/53/696943553.db2.gz XDYQXVOFGDUIRY-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982117814 697034548 /nfs/dbraw/zinc/03/45/48/697034548.db2.gz ADKYEGHTGVZQHG-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982117814 697034551 /nfs/dbraw/zinc/03/45/51/697034551.db2.gz ADKYEGHTGVZQHG-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981385862 697081776 /nfs/dbraw/zinc/08/17/76/697081776.db2.gz PZWRMFUYFUYMLN-HZPDHXFCSA-N 2 2 324.428 1.835 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454464 697101301 /nfs/dbraw/zinc/10/13/01/697101301.db2.gz RNSVPRRLJIPQIK-GJZGRUSLSA-N 2 2 323.400 1.531 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982679740 697168390 /nfs/dbraw/zinc/16/83/90/697168390.db2.gz MQUGRXFGXSOENH-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982679740 697168392 /nfs/dbraw/zinc/16/83/92/697168392.db2.gz MQUGRXFGXSOENH-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000985443780 697512069 /nfs/dbraw/zinc/51/20/69/697512069.db2.gz YXBUQHMMZMCDQN-UHFFFAOYSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000985443780 697512070 /nfs/dbraw/zinc/51/20/70/697512070.db2.gz YXBUQHMMZMCDQN-UHFFFAOYSA-N 2 2 314.433 1.318 20 30 DDEDLP CC(C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303878719 698608937 /nfs/dbraw/zinc/60/89/37/698608937.db2.gz GBKVZTTYJFGXLW-OAHLLOKOSA-N 2 2 303.454 1.510 20 30 DDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303987513 698612559 /nfs/dbraw/zinc/61/25/59/698612559.db2.gz VOGMNGHAOJMKNW-UHFFFAOYSA-N 2 2 314.817 1.653 20 30 DDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303987513 698612561 /nfs/dbraw/zinc/61/25/61/698612561.db2.gz VOGMNGHAOJMKNW-UHFFFAOYSA-N 2 2 314.817 1.653 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491007 698642348 /nfs/dbraw/zinc/64/23/48/698642348.db2.gz CHSSBFJAYXQVHE-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989496805 698644889 /nfs/dbraw/zinc/64/48/89/698644889.db2.gz ZZUBDBXXPRORAR-UHFFFAOYSA-N 2 2 302.422 1.872 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989496805 698644893 /nfs/dbraw/zinc/64/48/93/698644893.db2.gz ZZUBDBXXPRORAR-UHFFFAOYSA-N 2 2 302.422 1.872 20 30 DDEDLP N#CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817919717 702521738 /nfs/dbraw/zinc/52/17/38/702521738.db2.gz UXSIOQRAVYTNOT-IAGOWNOFSA-N 2 2 301.390 1.446 20 30 DDEDLP C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccnn1-c1cc[nH+]cc1 ZINC000853324576 704234076 /nfs/dbraw/zinc/23/40/76/704234076.db2.gz LEHCYIFKQZBYMV-GJZGRUSLSA-N 2 2 309.377 1.461 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820654334 704315381 /nfs/dbraw/zinc/31/53/81/704315381.db2.gz JMOMBDIHHGSHNN-WBVHZDCISA-N 2 2 320.481 1.598 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820654334 704315384 /nfs/dbraw/zinc/31/53/84/704315384.db2.gz JMOMBDIHHGSHNN-WBVHZDCISA-N 2 2 320.481 1.598 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1OCC#N ZINC000855416290 704484506 /nfs/dbraw/zinc/48/45/06/704484506.db2.gz JANHCYUTDQNZGZ-UHFFFAOYSA-N 2 2 318.421 1.202 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1OCC#N ZINC000855416290 704484507 /nfs/dbraw/zinc/48/45/07/704484507.db2.gz JANHCYUTDQNZGZ-UHFFFAOYSA-N 2 2 318.421 1.202 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876730725 705844774 /nfs/dbraw/zinc/84/47/74/705844774.db2.gz LPVXBQPZDKPAIV-WBMJQRKESA-N 2 2 309.373 1.146 20 30 DDEDLP C#CCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865477514 706441821 /nfs/dbraw/zinc/44/18/21/706441821.db2.gz GFRFILMIVWDKNJ-UHFFFAOYSA-N 2 2 302.418 1.901 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000899266813 709039148 /nfs/dbraw/zinc/03/91/48/709039148.db2.gz GFCARKGYKZTNFH-UHFFFAOYSA-N 2 2 316.449 1.788 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000899266813 709039151 /nfs/dbraw/zinc/03/91/51/709039151.db2.gz GFCARKGYKZTNFH-UHFFFAOYSA-N 2 2 316.449 1.788 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000913482803 713234475 /nfs/dbraw/zinc/23/44/75/713234475.db2.gz XDSANIGHFRMSQD-QGZVFWFLSA-N 2 2 317.433 1.676 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000939317883 716191249 /nfs/dbraw/zinc/19/12/49/716191249.db2.gz ZCVSHAYWIBGEJL-ZBFHGGJFSA-N 2 2 312.417 1.808 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627181 716636957 /nfs/dbraw/zinc/63/69/57/716636957.db2.gz AEXAMJVHJMAMHW-QMCVQRASSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627181 716636958 /nfs/dbraw/zinc/63/69/58/716636958.db2.gz AEXAMJVHJMAMHW-QMCVQRASSA-N 2 2 314.433 1.458 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282309 716894492 /nfs/dbraw/zinc/89/44/92/716894492.db2.gz BRHUGVJPHCGQJQ-JKSUJKDBSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 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RJJJLWPOXTWVMJ-BZSNNMDCSA-N 2 2 315.461 1.702 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418205 762112057 /nfs/dbraw/zinc/11/20/57/762112057.db2.gz REJXGPHCVMRQII-KRWDZBQOSA-N 2 2 309.454 1.256 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418205 762112060 /nfs/dbraw/zinc/11/20/60/762112060.db2.gz REJXGPHCVMRQII-KRWDZBQOSA-N 2 2 309.454 1.256 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259062 751337236 /nfs/dbraw/zinc/33/72/36/751337236.db2.gz JROCFDDJBGOGJP-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259062 751337241 /nfs/dbraw/zinc/33/72/41/751337241.db2.gz JROCFDDJBGOGJP-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421568 762137364 /nfs/dbraw/zinc/13/73/64/762137364.db2.gz OYZCHTUMHJXPQM-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421568 762137369 /nfs/dbraw/zinc/13/73/69/762137369.db2.gz OYZCHTUMHJXPQM-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999183803 752609318 /nfs/dbraw/zinc/60/93/18/752609318.db2.gz NFYOFZFEFBVBFV-UHFFFAOYSA-N 2 2 308.385 1.698 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999539860 752983071 /nfs/dbraw/zinc/98/30/71/752983071.db2.gz DACRAGNAPUJMPG-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000852883 762268468 /nfs/dbraw/zinc/26/84/68/762268468.db2.gz VIVLTQBSCKDVOG-HNNXBMFYSA-N 2 2 311.857 1.972 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001000852883 762268473 /nfs/dbraw/zinc/26/84/73/762268473.db2.gz VIVLTQBSCKDVOG-HNNXBMFYSA-N 2 2 311.857 1.972 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001000852883 762268475 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20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038316351 760999453 /nfs/dbraw/zinc/99/94/53/760999453.db2.gz YZANVAJXYSZXGV-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038316351 760999458 /nfs/dbraw/zinc/99/94/58/760999458.db2.gz YZANVAJXYSZXGV-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086244037 761236740 /nfs/dbraw/zinc/23/67/40/761236740.db2.gz QOGRAMOEVLLOAC-FZNQNYSPSA-N 2 2 308.385 1.604 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165023 761790661 /nfs/dbraw/zinc/79/06/61/761790661.db2.gz JRPFHQMYIOKXSY-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001039165023 761790664 /nfs/dbraw/zinc/79/06/64/761790664.db2.gz JRPFHQMYIOKXSY-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039175027 761798470 /nfs/dbraw/zinc/79/84/70/761798470.db2.gz KBHIPYVGJNQJHI-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001039175027 761798478 /nfs/dbraw/zinc/79/84/78/761798478.db2.gz KBHIPYVGJNQJHI-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671789 762841396 /nfs/dbraw/zinc/84/13/96/762841396.db2.gz VLRJJOPNHZOVMU-ZNMIVQPWSA-N 2 2 302.422 1.888 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001538320 762945549 /nfs/dbraw/zinc/94/55/49/762945549.db2.gz FVGZWDRRJYWURD-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855590 763408573 /nfs/dbraw/zinc/40/85/73/763408573.db2.gz LIUDTOKBJXPORT-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855590 763408582 /nfs/dbraw/zinc/40/85/82/763408582.db2.gz LIUDTOKBJXPORT-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001050569931 763763194 /nfs/dbraw/zinc/76/31/94/763763194.db2.gz PIFVXMHSYBKOKC-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001050590481 763793394 /nfs/dbraw/zinc/79/33/94/763793394.db2.gz TWTVZIUKHMLYER-UHFFFAOYSA-N 2 2 322.412 1.896 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315232 763906241 /nfs/dbraw/zinc/90/62/41/763906241.db2.gz ZYCNUMRCJPXNPA-KGLIPLIRSA-N 2 2 300.406 1.243 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042315232 763906247 /nfs/dbraw/zinc/90/62/47/763906247.db2.gz ZYCNUMRCJPXNPA-KGLIPLIRSA-N 2 2 300.406 1.243 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042333000 763928739 /nfs/dbraw/zinc/92/87/39/763928739.db2.gz MGYSJSRXRUQNIA-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042333000 763928743 /nfs/dbraw/zinc/92/87/43/763928743.db2.gz MGYSJSRXRUQNIA-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001050746303 763992184 /nfs/dbraw/zinc/99/21/84/763992184.db2.gz VVIHMPBVPLUNDK-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001050913131 764269854 /nfs/dbraw/zinc/26/98/54/764269854.db2.gz KYZQDNQTYMPORY-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001050913131 764269860 /nfs/dbraw/zinc/26/98/60/764269860.db2.gz KYZQDNQTYMPORY-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050913131 764269866 /nfs/dbraw/zinc/26/98/66/764269866.db2.gz KYZQDNQTYMPORY-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050913131 764269874 /nfs/dbraw/zinc/26/98/74/764269874.db2.gz KYZQDNQTYMPORY-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001042922615 764528349 /nfs/dbraw/zinc/52/83/49/764528349.db2.gz FYKABJJEVVZVAQ-QGZVFWFLSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001042922615 764528355 /nfs/dbraw/zinc/52/83/55/764528355.db2.gz FYKABJJEVVZVAQ-QGZVFWFLSA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001043885029 765148647 /nfs/dbraw/zinc/14/86/47/765148647.db2.gz FOUVOGZKCYXLSE-OAHLLOKOSA-N 2 2 316.449 1.863 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001113672110 766008900 /nfs/dbraw/zinc/00/89/00/766008900.db2.gz LOSZBBQLCKCSOJ-IYBDPMFKSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001113672110 766008907 /nfs/dbraw/zinc/00/89/07/766008907.db2.gz LOSZBBQLCKCSOJ-IYBDPMFKSA-N 2 2 309.454 1.206 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001045218726 766164720 /nfs/dbraw/zinc/16/47/20/766164720.db2.gz ZKZWOZYDLWMNPV-KRWDZBQOSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001045483711 766341417 /nfs/dbraw/zinc/34/14/17/766341417.db2.gz OQQHOKMBUVJXAO-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001045483711 766341424 /nfs/dbraw/zinc/34/14/24/766341424.db2.gz OQQHOKMBUVJXAO-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045487456 766345657 /nfs/dbraw/zinc/34/56/57/766345657.db2.gz YMBNGJMHHXXGOO-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001130401121 767498068 /nfs/dbraw/zinc/49/80/68/767498068.db2.gz POWJKLXIGFARON-INIZCTEOSA-N 2 2 323.400 1.223 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433538 767559979 /nfs/dbraw/zinc/55/99/79/767559979.db2.gz HAWPBAFHUWQRHG-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433538 767559981 /nfs/dbraw/zinc/55/99/81/767559981.db2.gz HAWPBAFHUWQRHG-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433538 767559984 /nfs/dbraw/zinc/55/99/84/767559984.db2.gz HAWPBAFHUWQRHG-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433538 767559987 /nfs/dbraw/zinc/55/99/87/767559987.db2.gz HAWPBAFHUWQRHG-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434024 767560160 /nfs/dbraw/zinc/56/01/60/767560160.db2.gz JANTYWOPDYBZJS-WMLDXEAASA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434024 767560161 /nfs/dbraw/zinc/56/01/61/767560161.db2.gz JANTYWOPDYBZJS-WMLDXEAASA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132425365 768867604 /nfs/dbraw/zinc/86/76/04/768867604.db2.gz IGJXSIQUHJUJKA-GJZGRUSLSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001132425365 768867615 /nfs/dbraw/zinc/86/76/15/768867615.db2.gz IGJXSIQUHJUJKA-GJZGRUSLSA-N 2 2 320.437 1.134 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606691 769705825 /nfs/dbraw/zinc/70/58/25/769705825.db2.gz KPDQNZJEUVQTGK-CABCVRRESA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606691 769705834 /nfs/dbraw/zinc/70/58/34/769705834.db2.gz KPDQNZJEUVQTGK-CABCVRRESA-N 2 2 302.422 1.529 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)c1 ZINC001133660106 770113326 /nfs/dbraw/zinc/11/33/26/770113326.db2.gz QMCNAUIWEZFQKG-HNNXBMFYSA-N 2 2 323.400 1.607 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476929 770903500 /nfs/dbraw/zinc/90/35/00/770903500.db2.gz CYYVKHUCWVGNFE-DLBZAZTESA-N 2 2 322.412 1.955 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476929 770903507 /nfs/dbraw/zinc/90/35/07/770903507.db2.gz CYYVKHUCWVGNFE-DLBZAZTESA-N 2 2 322.412 1.955 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404068 770990653 /nfs/dbraw/zinc/99/06/53/770990653.db2.gz WXECTSYNOMBSLQ-KGLIPLIRSA-N 2 2 302.422 1.268 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866983 771219220 /nfs/dbraw/zinc/21/92/20/771219220.db2.gz LMPYPZFJJNCNDC-CVEARBPZSA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866983 771219221 /nfs/dbraw/zinc/21/92/21/771219221.db2.gz LMPYPZFJJNCNDC-CVEARBPZSA-N 2 2 302.422 1.902 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589483 771603064 /nfs/dbraw/zinc/60/30/64/771603064.db2.gz PFWZZECWSKDNFV-HOTGVXAUSA-N 2 2 321.465 1.138 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589484 771603112 /nfs/dbraw/zinc/60/31/12/771603112.db2.gz PFWZZECWSKDNFV-HZPDHXFCSA-N 2 2 321.465 1.138 20 30 DDEDLP C#CC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001091309668 772674800 /nfs/dbraw/zinc/67/48/00/772674800.db2.gz QOGRAMOEVLLOAC-UHFFFAOYSA-N 2 2 308.385 1.604 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148604322 773531862 /nfs/dbraw/zinc/53/18/62/773531862.db2.gz CPTKKRIUKILZCI-HNNXBMFYSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148604322 773531864 /nfs/dbraw/zinc/53/18/64/773531864.db2.gz CPTKKRIUKILZCI-HNNXBMFYSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242721 774027717 /nfs/dbraw/zinc/02/77/17/774027717.db2.gz ZMCWSBBRCWBTOU-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242721 774027724 /nfs/dbraw/zinc/02/77/24/774027724.db2.gz ZMCWSBBRCWBTOU-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092741874 774243712 /nfs/dbraw/zinc/24/37/12/774243712.db2.gz JPOCBMPVPDDNTN-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092741874 774243716 /nfs/dbraw/zinc/24/37/16/774243716.db2.gz JPOCBMPVPDDNTN-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751054 774474377 /nfs/dbraw/zinc/47/43/77/774474377.db2.gz XJDZPKUAYLSAOZ-SUMWQHHRSA-N 2 2 308.385 1.733 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751054 774474382 /nfs/dbraw/zinc/47/43/82/774474382.db2.gz XJDZPKUAYLSAOZ-SUMWQHHRSA-N 2 2 308.385 1.733 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458174 776184181 /nfs/dbraw/zinc/18/41/81/776184181.db2.gz QSRKQYWNXXLBOT-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094962493 776909205 /nfs/dbraw/zinc/90/92/05/776909205.db2.gz HPJZQQBGSOSIAV-KKUMJFAQSA-N 2 2 308.385 1.550 20 30 DDEDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970435 776946946 /nfs/dbraw/zinc/94/69/46/776946946.db2.gz GGCTVLRRZPLSAM-MCIONIFRSA-N 2 2 310.442 1.818 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456053 778150052 /nfs/dbraw/zinc/15/00/52/778150052.db2.gz HAWTUUPGLONKJE-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456053 778150059 /nfs/dbraw/zinc/15/00/59/778150059.db2.gz HAWTUUPGLONKJE-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456053 778150065 /nfs/dbraw/zinc/15/00/65/778150065.db2.gz HAWTUUPGLONKJE-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456053 778150071 /nfs/dbraw/zinc/15/00/71/778150071.db2.gz HAWTUUPGLONKJE-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP N#Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)ccc1F ZINC001177400078 778577366 /nfs/dbraw/zinc/57/73/66/778577366.db2.gz CPCNJKTXYBNGPX-UHFFFAOYSA-N 2 2 315.352 1.190 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178567720 779104474 /nfs/dbraw/zinc/10/44/74/779104474.db2.gz XDNOLJYBODWLRR-KBPBESRZSA-N 2 2 306.410 1.124 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178879408 779209583 /nfs/dbraw/zinc/20/95/83/779209583.db2.gz AGNXWXHXPZBRQL-MRXNPFEDSA-N 2 2 316.449 1.735 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022923 779249981 /nfs/dbraw/zinc/24/99/81/779249981.db2.gz YURPTXPACOFGCA-DZKIICNBSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097730 779281747 /nfs/dbraw/zinc/28/17/47/779281747.db2.gz RLXGOTHEYGABDN-UHFFFAOYSA-N 2 2 304.438 1.642 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266459638 836289990 /nfs/dbraw/zinc/28/99/90/836289990.db2.gz RSSKACILWCHNDX-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266459638 836290002 /nfs/dbraw/zinc/29/00/02/836290002.db2.gz RSSKACILWCHNDX-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267047986 837248085 /nfs/dbraw/zinc/24/80/85/837248085.db2.gz SDUUAGNKYAISSS-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267488558 838168830 /nfs/dbraw/zinc/16/88/30/838168830.db2.gz LCJRQPDEUUXOJG-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[NH+]1CCC(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001267947967 839241554 /nfs/dbraw/zinc/24/15/54/839241554.db2.gz MBAKKSIMJNCTQZ-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001268025701 839422981 /nfs/dbraw/zinc/42/29/81/839422981.db2.gz KGSSMLYWNXGUTQ-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001268025701 839422991 /nfs/dbraw/zinc/42/29/91/839422991.db2.gz KGSSMLYWNXGUTQ-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268107714 839696470 /nfs/dbraw/zinc/69/64/70/839696470.db2.gz CZNVTDBQJWTRGR-HZPDHXFCSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001268769155 840774400 /nfs/dbraw/zinc/77/44/00/840774400.db2.gz BYXLDZAGSCWDDZ-NVXWUHKLSA-N 2 2 316.449 1.641 20 30 DDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC)[NH+](CC)CC ZINC001268969871 841066655 /nfs/dbraw/zinc/06/66/55/841066655.db2.gz NNRJIAUAGOCGBX-ULQDDVLXSA-N 2 2 321.465 1.042 20 30 DDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC)[NH+](CC)CC ZINC001268969871 841066667 /nfs/dbraw/zinc/06/66/67/841066667.db2.gz NNRJIAUAGOCGBX-ULQDDVLXSA-N 2 2 321.465 1.042 20 30 DDEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408389 841610656 /nfs/dbraw/zinc/61/06/56/841610656.db2.gz OHTDFUHKLWZYFT-XJKSGUPXSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408389 841610662 /nfs/dbraw/zinc/61/06/62/841610662.db2.gz OHTDFUHKLWZYFT-XJKSGUPXSA-N 2 2 319.453 1.851 20 30 DDEDLP C#CC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001269677400 841926568 /nfs/dbraw/zinc/92/65/68/841926568.db2.gz RGRQVPNWMVFTBP-DYVFJYSZSA-N 2 2 302.422 1.549 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001272748361 846820093 /nfs/dbraw/zinc/82/00/93/846820093.db2.gz NWXLOWZKCFXYOU-SHTZXODSSA-N 2 2 310.401 1.846 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001326993093 861780277 /nfs/dbraw/zinc/78/02/77/861780277.db2.gz ZGDFWNUZPVFBGL-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001326993093 861780283 /nfs/dbraw/zinc/78/02/83/861780283.db2.gz ZGDFWNUZPVFBGL-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273493412 851028198 /nfs/dbraw/zinc/02/81/98/851028198.db2.gz YFAFEKGOZXEGOK-QGZVFWFLSA-N 2 2 302.422 1.811 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273493412 851028205 /nfs/dbraw/zinc/02/82/05/851028205.db2.gz YFAFEKGOZXEGOK-QGZVFWFLSA-N 2 2 302.422 1.811 20 30 DDEDLP C=CCCCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001273502114 851034770 /nfs/dbraw/zinc/03/47/70/851034770.db2.gz XYQRBMNXGMHMPD-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380741 862210151 /nfs/dbraw/zinc/21/01/51/862210151.db2.gz YVJWOTGJTCHNLH-CVEARBPZSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380741 862210170 /nfs/dbraw/zinc/21/01/70/862210170.db2.gz YVJWOTGJTCHNLH-CVEARBPZSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC001250975812 851262993 /nfs/dbraw/zinc/26/29/93/851262993.db2.gz ZJHFJCINABFUIH-CQSZACIVSA-N 2 2 321.387 1.201 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426492 862236926 /nfs/dbraw/zinc/23/69/26/862236926.db2.gz VUKDMDRCNATREZ-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426492 862236945 /nfs/dbraw/zinc/23/69/45/862236945.db2.gz VUKDMDRCNATREZ-GDBMZVCRSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150654255 862396283 /nfs/dbraw/zinc/39/62/83/862396283.db2.gz VWZJCJJWDWOQJY-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150654255 862396300 /nfs/dbraw/zinc/39/63/00/862396300.db2.gz VWZJCJJWDWOQJY-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870499 857823851 /nfs/dbraw/zinc/82/38/51/857823851.db2.gz LFPQXCVUYLAVDU-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870499 857823857 /nfs/dbraw/zinc/82/38/57/857823857.db2.gz LFPQXCVUYLAVDU-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP CC1([NH3+])CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001157644778 864007081 /nfs/dbraw/zinc/00/70/81/864007081.db2.gz YYWWFVFBFZFTLR-INIZCTEOSA-N 2 2 312.417 1.472 20 30 DDEDLP CC1([NH3+])CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001157644778 864007092 /nfs/dbraw/zinc/00/70/92/864007092.db2.gz YYWWFVFBFZFTLR-INIZCTEOSA-N 2 2 312.417 1.472 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001331490108 865113856 /nfs/dbraw/zinc/11/38/56/865113856.db2.gz ONNNLKPRDGAPFS-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001332435861 865839204 /nfs/dbraw/zinc/83/92/04/865839204.db2.gz BMYQYVBHCHXZQQ-CQSZACIVSA-N 2 2 302.422 1.537 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001319698183 866230336 /nfs/dbraw/zinc/23/03/36/866230336.db2.gz RHHVOMNIIUSCOF-CVEARBPZSA-N 2 2 320.437 1.302 20 30 DDEDLP CC#CC[N@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001319888875 866367707 /nfs/dbraw/zinc/36/77/07/866367707.db2.gz QYVUHPWYULGPNM-UHFFFAOYSA-N 2 2 316.449 1.844 20 30 DDEDLP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001319888875 866367718 /nfs/dbraw/zinc/36/77/18/866367718.db2.gz QYVUHPWYULGPNM-UHFFFAOYSA-N 2 2 316.449 1.844 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214524 866446722 /nfs/dbraw/zinc/44/67/22/866446722.db2.gz AYNCXVNJCLAMPG-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001324483030 867304690 /nfs/dbraw/zinc/30/46/90/867304690.db2.gz PTLSZACECHCKPQ-JKSUJKDBSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165835883 869728473 /nfs/dbraw/zinc/72/84/73/869728473.db2.gz KBLHEGQUIJIORL-AWEZNQCLSA-N 2 2 314.433 1.332 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165835883 869728486 /nfs/dbraw/zinc/72/84/86/869728486.db2.gz KBLHEGQUIJIORL-AWEZNQCLSA-N 2 2 314.433 1.332 20 30 DDEDLP C=C(C)CC[NH+]1CCN(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001316964440 870003400 /nfs/dbraw/zinc/00/34/00/870003400.db2.gz AIKKFSYIKIGXMQ-UHFFFAOYSA-N 2 2 319.453 1.042 20 30 DDEDLP C=C(C)CC[NH+]1CCN(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001316964440 870003407 /nfs/dbraw/zinc/00/34/07/870003407.db2.gz AIKKFSYIKIGXMQ-UHFFFAOYSA-N 2 2 319.453 1.042 20 30 DDEDLP C=CCC[NH+]1CCN(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001316967483 870010613 /nfs/dbraw/zinc/01/06/13/870010613.db2.gz BFEGOGVSEKARLC-INIZCTEOSA-N 2 2 319.453 1.144 20 30 DDEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317171813 870411554 /nfs/dbraw/zinc/41/15/54/870411554.db2.gz BLTWFRXCCRDRLK-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317171813 870411557 /nfs/dbraw/zinc/41/15/57/870411557.db2.gz BLTWFRXCCRDRLK-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317171813 870411562 /nfs/dbraw/zinc/41/15/62/870411562.db2.gz BLTWFRXCCRDRLK-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317171813 870411569 /nfs/dbraw/zinc/41/15/69/870411569.db2.gz BLTWFRXCCRDRLK-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[N@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001317478418 870894331 /nfs/dbraw/zinc/89/43/31/870894331.db2.gz JRVOERYZSUPFJZ-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[N@@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001317478418 870894350 /nfs/dbraw/zinc/89/43/50/870894350.db2.gz JRVOERYZSUPFJZ-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001317478418 870894370 /nfs/dbraw/zinc/89/43/70/870894370.db2.gz JRVOERYZSUPFJZ-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001317478418 870894391 /nfs/dbraw/zinc/89/43/91/870894391.db2.gz JRVOERYZSUPFJZ-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317619918 871222287 /nfs/dbraw/zinc/22/22/87/871222287.db2.gz CHJHRQPUNHNKIR-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317619918 871222304 /nfs/dbraw/zinc/22/23/04/871222304.db2.gz CHJHRQPUNHNKIR-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001205348790 871506346 /nfs/dbraw/zinc/50/63/46/871506346.db2.gz HYUGUPMHGLITPA-UHFFFAOYSA-N 2 2 314.433 1.223 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802334 871522606 /nfs/dbraw/zinc/52/26/06/871522606.db2.gz IURBYGZYIQQHHW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802334 871522624 /nfs/dbraw/zinc/52/26/24/871522624.db2.gz IURBYGZYIQQHHW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802334 871522651 /nfs/dbraw/zinc/52/26/51/871522651.db2.gz IURBYGZYIQQHHW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802334 871522664 /nfs/dbraw/zinc/52/26/64/871522664.db2.gz IURBYGZYIQQHHW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317845759 871583079 /nfs/dbraw/zinc/58/30/79/871583079.db2.gz SIYSXAKOEZHAHO-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317845759 871583099 /nfs/dbraw/zinc/58/30/99/871583099.db2.gz SIYSXAKOEZHAHO-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001318037804 871704122 /nfs/dbraw/zinc/70/41/22/871704122.db2.gz JWTKZPCESKFDQJ-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC#Cc1ccccc1 ZINC001318595165 872161963 /nfs/dbraw/zinc/16/19/63/872161963.db2.gz NSNNTSNUVZMNCC-KRWDZBQOSA-N 2 2 324.428 1.499 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001206602015 872468754 /nfs/dbraw/zinc/46/87/54/872468754.db2.gz BUEGEEGOEAPMNZ-UHFFFAOYSA-N 2 2 323.481 1.502 20 30 DDEDLP Cc1[nH]c(CN2CC3(C2)CC[N@@H+](Cc2cc(C#N)n(C)c2)C3)c[nH+]1 ZINC001276682208 875329505 /nfs/dbraw/zinc/32/95/05/875329505.db2.gz GNIVVXMZZIYYGU-UHFFFAOYSA-N 2 2 324.432 1.636 20 30 DDEDLP Cc1[nH]c(CN2CC3(C2)CC[N@H+](Cc2cc(C#N)n(C)c2)C3)c[nH+]1 ZINC001276682208 875329520 /nfs/dbraw/zinc/32/95/20/875329520.db2.gz GNIVVXMZZIYYGU-UHFFFAOYSA-N 2 2 324.432 1.636 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001378921528 875916231 /nfs/dbraw/zinc/91/62/31/875916231.db2.gz LFTXLGLBTVNEPG-JSGCOSHPSA-N 2 2 310.829 1.852 20 30 DDEDLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001379116533 876442878 /nfs/dbraw/zinc/44/28/78/876442878.db2.gz KUBJFZQENZYMQZ-UHFFFAOYSA-N 2 2 316.449 1.790 20 30 DDEDLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001379116533 876442885 /nfs/dbraw/zinc/44/28/85/876442885.db2.gz KUBJFZQENZYMQZ-UHFFFAOYSA-N 2 2 316.449 1.790 20 30 DDEDLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001379116533 876442891 /nfs/dbraw/zinc/44/28/91/876442891.db2.gz KUBJFZQENZYMQZ-UHFFFAOYSA-N 2 2 316.449 1.790 20 30 DDEDLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001379116533 876442895 /nfs/dbraw/zinc/44/28/95/876442895.db2.gz KUBJFZQENZYMQZ-UHFFFAOYSA-N 2 2 316.449 1.790 20 30 DDEDLP N#Cc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CC[NH3+])n2)s1 ZINC001218788488 877727852 /nfs/dbraw/zinc/72/78/52/877727852.db2.gz VGSMTBKCTBUUPS-QMMMGPOBSA-N 2 2 307.404 1.358 20 30 DDEDLP N#Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c2cccnc12 ZINC001219464540 878244974 /nfs/dbraw/zinc/24/49/74/878244974.db2.gz ABEYVCKFTVRVIA-ZDUSSCGKSA-N 2 2 306.329 1.338 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001379989831 878490728 /nfs/dbraw/zinc/49/07/28/878490728.db2.gz NEAPSQIMZBTMGL-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001379989831 878490732 /nfs/dbraw/zinc/49/07/32/878490732.db2.gz NEAPSQIMZBTMGL-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC/C=C/CC ZINC001235454001 888655204 /nfs/dbraw/zinc/65/52/04/888655204.db2.gz IDMZOZACVSDOPG-IBQUMJASSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001235454001 888655213 /nfs/dbraw/zinc/65/52/13/888655213.db2.gz IDMZOZACVSDOPG-IBQUMJASSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC/C=C/CC ZINC001235454001 888655227 /nfs/dbraw/zinc/65/52/27/888655227.db2.gz IDMZOZACVSDOPG-IBQUMJASSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC/C=C/CC ZINC001235454001 888655239 /nfs/dbraw/zinc/65/52/39/888655239.db2.gz IDMZOZACVSDOPG-IBQUMJASSA-N 2 2 317.477 1.973 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001374567569 913311637 /nfs/dbraw/zinc/31/16/37/913311637.db2.gz GXMGRJSKNFDRSQ-UKRRQHHQSA-N 2 2 324.856 1.980 20 30 DDEDLP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246888982 892971126 /nfs/dbraw/zinc/97/11/26/892971126.db2.gz YUZJTZKKDCPMJS-HLLBOEOZSA-N 2 2 302.397 1.725 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366490075 893722660 /nfs/dbraw/zinc/72/26/60/893722660.db2.gz UJLYZRCYXDCFNW-JTQLQIEISA-N 2 2 315.215 1.345 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001252584755 895292320 /nfs/dbraw/zinc/29/23/20/895292320.db2.gz FFBDVXSCBIENIP-KURKYZTESA-N 2 2 304.434 1.803 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001252584755 895292333 /nfs/dbraw/zinc/29/23/33/895292333.db2.gz FFBDVXSCBIENIP-KURKYZTESA-N 2 2 304.434 1.803 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001263836913 900752567 /nfs/dbraw/zinc/75/25/67/900752567.db2.gz PADUYFAOGAFKJZ-OAGGEKHMSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265624256 902215671 /nfs/dbraw/zinc/21/56/71/902215671.db2.gz OWOSERZCMXOBRT-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225516 903149033 /nfs/dbraw/zinc/14/90/33/903149033.db2.gz OUNMTRIZTWFUAO-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225516 903149041 /nfs/dbraw/zinc/14/90/41/903149041.db2.gz OUNMTRIZTWFUAO-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001266240968 903174897 /nfs/dbraw/zinc/17/48/97/903174897.db2.gz HOGYVXQSCDAXNV-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001266240968 903174907 /nfs/dbraw/zinc/17/49/07/903174907.db2.gz HOGYVXQSCDAXNV-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001279184176 903190061 /nfs/dbraw/zinc/19/00/61/903190061.db2.gz UZACSHYMHZZYIR-KGLIPLIRSA-N 2 2 304.438 1.948 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001279488875 903278025 /nfs/dbraw/zinc/27/80/25/903278025.db2.gz AYCJXCBVILYIQO-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001279488875 903278038 /nfs/dbraw/zinc/27/80/38/903278038.db2.gz AYCJXCBVILYIQO-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001279488875 903278049 /nfs/dbraw/zinc/27/80/49/903278049.db2.gz AYCJXCBVILYIQO-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001279488875 903278058 /nfs/dbraw/zinc/27/80/58/903278058.db2.gz AYCJXCBVILYIQO-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001284545547 909166370 /nfs/dbraw/zinc/16/63/70/909166370.db2.gz VXLHHXKHBILQTK-HZPDHXFCSA-N 2 2 316.449 1.716 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001375512099 916171703 /nfs/dbraw/zinc/17/17/03/916171703.db2.gz QDEAUIPDLRZLBE-UHFFFAOYSA-N 2 2 309.373 1.262 20 30 DDEDLP C[NH+](Cc1ccccc1)C1CN(C[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000414130717 529868254 /nfs/dbraw/zinc/86/82/54/529868254.db2.gz XQOJDBIHUVOICH-SFHVURJKSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](Cc1ccccc1)C1CN(C[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000414130717 529868255 /nfs/dbraw/zinc/86/82/55/529868255.db2.gz XQOJDBIHUVOICH-SFHVURJKSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC000414130717 529868256 /nfs/dbraw/zinc/86/82/56/529868256.db2.gz XQOJDBIHUVOICH-SFHVURJKSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000414130717 529868258 /nfs/dbraw/zinc/86/82/58/529868258.db2.gz XQOJDBIHUVOICH-SFHVURJKSA-N 2 2 316.449 1.009 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000328662529 222882640 /nfs/dbraw/zinc/88/26/40/222882640.db2.gz AQWDATHOAVYZGJ-ZIAGYGMSSA-N 2 2 307.442 1.420 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593051419 355780232 /nfs/dbraw/zinc/78/02/32/355780232.db2.gz JUYZOQCQVROFCA-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593051419 355780238 /nfs/dbraw/zinc/78/02/38/355780238.db2.gz JUYZOQCQVROFCA-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]1 ZINC000594440984 356216681 /nfs/dbraw/zinc/21/66/81/356216681.db2.gz KJQYHXJRCHNTEB-HNNXBMFYSA-N 2 2 317.437 1.955 20 30 DDEDLP Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000596317116 356855641 /nfs/dbraw/zinc/85/56/41/356855641.db2.gz TUHPPYIMYOUGNW-UHFFFAOYSA-N 2 2 314.433 1.987 20 30 DDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC000329601535 223000196 /nfs/dbraw/zinc/00/01/96/223000196.db2.gz XPUILQVEMHLDBL-AWEZNQCLSA-N 2 2 306.410 1.433 20 30 DDEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCCOCC1)C2 ZINC000329601535 223000199 /nfs/dbraw/zinc/00/01/99/223000199.db2.gz XPUILQVEMHLDBL-AWEZNQCLSA-N 2 2 306.410 1.433 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597992893 357409206 /nfs/dbraw/zinc/40/92/06/357409206.db2.gz OYZZOLOPYWSSNN-KRWDZBQOSA-N 2 2 306.454 1.460 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597992893 357409209 /nfs/dbraw/zinc/40/92/09/357409209.db2.gz OYZZOLOPYWSSNN-KRWDZBQOSA-N 2 2 306.454 1.460 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000602565308 359047350 /nfs/dbraw/zinc/04/73/50/359047350.db2.gz AJKAQTYJIUQHRW-ROUUACIJSA-N 2 2 314.433 1.811 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602479951 359006320 /nfs/dbraw/zinc/00/63/20/359006320.db2.gz CMJVNGCTSZYWKQ-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602479951 359006323 /nfs/dbraw/zinc/00/63/23/359006323.db2.gz CMJVNGCTSZYWKQ-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)n1 ZINC000602484207 359010391 /nfs/dbraw/zinc/01/03/91/359010391.db2.gz ILIABYOFKLOCAV-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)n1 ZINC000602484207 359010394 /nfs/dbraw/zinc/01/03/94/359010394.db2.gz ILIABYOFKLOCAV-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429597 359634882 /nfs/dbraw/zinc/63/48/82/359634882.db2.gz YWYAXFIPXYNSEY-IKGGRYGDSA-N 2 2 306.454 1.065 20 30 DDEDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000603433781 359637400 /nfs/dbraw/zinc/63/74/00/359637400.db2.gz WDMCCVNZINOXHY-MRXNPFEDSA-N 2 2 305.422 1.749 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609672111 360342867 /nfs/dbraw/zinc/34/28/67/360342867.db2.gz QGMZKOUDQONARN-HOTGVXAUSA-N 2 2 309.373 1.618 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609672111 360342872 /nfs/dbraw/zinc/34/28/72/360342872.db2.gz QGMZKOUDQONARN-HOTGVXAUSA-N 2 2 309.373 1.618 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccnc(C#N)c1 ZINC000610995490 360595422 /nfs/dbraw/zinc/59/54/22/360595422.db2.gz IQRZHQCLVKFKGR-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccnc(C#N)c1 ZINC000610995490 360595427 /nfs/dbraw/zinc/59/54/27/360595427.db2.gz IQRZHQCLVKFKGR-BRWVUGGUSA-N 2 2 300.406 1.637 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3cncn3)CC2)cc1 ZINC000611472598 360726832 /nfs/dbraw/zinc/72/68/32/360726832.db2.gz SERJHMJHKLUOFT-UHFFFAOYSA-N 2 2 324.432 1.794 20 30 DDEDLP C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000566088946 304115150 /nfs/dbraw/zinc/11/51/50/304115150.db2.gz RLJCBFMZSMFTSP-XYPHTWIQSA-N 2 2 312.417 1.389 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000567678620 304233749 /nfs/dbraw/zinc/23/37/49/304233749.db2.gz XMRFMYBZJYSSDA-VBQJREDUSA-N 2 2 303.406 1.118 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000567678620 304233750 /nfs/dbraw/zinc/23/37/50/304233750.db2.gz XMRFMYBZJYSSDA-VBQJREDUSA-N 2 2 303.406 1.118 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000567709217 304236012 /nfs/dbraw/zinc/23/60/12/304236012.db2.gz MVLNEHRTDKQPTJ-KGLIPLIRSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000567709217 304236013 /nfs/dbraw/zinc/23/60/13/304236013.db2.gz MVLNEHRTDKQPTJ-KGLIPLIRSA-N 2 2 312.373 1.168 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264146032 285284389 /nfs/dbraw/zinc/28/43/89/285284389.db2.gz XWFJWARCJJKDIM-IRXDYDNUSA-N 3 2 317.481 1.678 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264146032 285284390 /nfs/dbraw/zinc/28/43/90/285284390.db2.gz XWFJWARCJJKDIM-IRXDYDNUSA-N 3 2 317.481 1.678 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129522927 407616797 /nfs/dbraw/zinc/61/67/97/407616797.db2.gz ICWTZXALMVLQBC-IHRRRGAJSA-N 2 2 319.409 1.166 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129522927 407616805 /nfs/dbraw/zinc/61/68/05/407616805.db2.gz ICWTZXALMVLQBC-IHRRRGAJSA-N 2 2 319.409 1.166 20 30 DDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000274233938 408334540 /nfs/dbraw/zinc/33/45/40/408334540.db2.gz WYBXDRCGGGQXCF-UHFFFAOYSA-N 2 2 311.429 1.428 20 30 DDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000274233938 408334545 /nfs/dbraw/zinc/33/45/45/408334545.db2.gz WYBXDRCGGGQXCF-UHFFFAOYSA-N 2 2 311.429 1.428 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCn3ccnn3)CC2)cc1 ZINC000183204518 306709751 /nfs/dbraw/zinc/70/97/51/306709751.db2.gz WHMODKMYYIIMII-UHFFFAOYSA-N 2 2 324.432 1.794 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283446915 409158124 /nfs/dbraw/zinc/15/81/24/409158124.db2.gz KLWWMCJEKBQCGV-VOTSOKGWSA-N 2 2 323.400 1.885 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000289262507 409238401 /nfs/dbraw/zinc/23/84/01/409238401.db2.gz MVSWPSQRGZIRQP-UHFFFAOYSA-N 2 2 309.435 1.929 20 30 DDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303984514 409563005 /nfs/dbraw/zinc/56/30/05/409563005.db2.gz SCGWDKABDAQLBV-HNNXBMFYSA-N 2 2 304.438 1.869 20 30 DDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303984514 409563010 /nfs/dbraw/zinc/56/30/10/409563010.db2.gz SCGWDKABDAQLBV-HNNXBMFYSA-N 2 2 304.438 1.869 20 30 DDEDLP C=C[C@](C)(O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000354679660 410011931 /nfs/dbraw/zinc/01/19/31/410011931.db2.gz RHKKHFXMDHVIDL-KRWDZBQOSA-N 2 2 323.481 1.380 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328868405 409996487 /nfs/dbraw/zinc/99/64/87/409996487.db2.gz OUTROWMMVVNLDC-WBMJQRKESA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328868405 409996489 /nfs/dbraw/zinc/99/64/89/409996489.db2.gz OUTROWMMVVNLDC-WBMJQRKESA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328868405 409996498 /nfs/dbraw/zinc/99/64/98/409996498.db2.gz OUTROWMMVVNLDC-WBMJQRKESA-N 2 2 308.426 1.826 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328868405 409996503 /nfs/dbraw/zinc/99/65/03/409996503.db2.gz OUTROWMMVVNLDC-WBMJQRKESA-N 2 2 308.426 1.826 20 30 DDEDLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329281899 410210852 /nfs/dbraw/zinc/21/08/52/410210852.db2.gz FEWHCBGBKXJRHJ-AWEZNQCLSA-N 2 2 313.405 1.617 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329284882 410215181 /nfs/dbraw/zinc/21/51/81/410215181.db2.gz GFNFMFBDWMUTRZ-QWHCGFSZSA-N 2 2 303.410 1.740 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329284882 410215189 /nfs/dbraw/zinc/21/51/89/410215189.db2.gz GFNFMFBDWMUTRZ-QWHCGFSZSA-N 2 2 303.410 1.740 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCCC2)CC1 ZINC000330283712 410611678 /nfs/dbraw/zinc/61/16/78/410611678.db2.gz WLMLTLAVJJXFEY-AWEZNQCLSA-N 2 2 317.437 1.672 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348540474 411005459 /nfs/dbraw/zinc/00/54/59/411005459.db2.gz WNZMQMUIXRJRFK-CABCVRRESA-N 2 2 309.373 1.687 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348540474 411005464 /nfs/dbraw/zinc/00/54/64/411005464.db2.gz WNZMQMUIXRJRFK-CABCVRRESA-N 2 2 309.373 1.687 20 30 DDEDLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418523001 225776545 /nfs/dbraw/zinc/77/65/45/225776545.db2.gz JYKPNOFAOXEJDW-CQSZACIVSA-N 2 2 315.421 1.123 20 30 DDEDLP C#CCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505757 418434068 /nfs/dbraw/zinc/43/40/68/418434068.db2.gz VLJMTJMDFYOYNA-QGZVFWFLSA-N 2 2 320.481 1.600 20 30 DDEDLP C#CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505757 418434070 /nfs/dbraw/zinc/43/40/70/418434070.db2.gz VLJMTJMDFYOYNA-QGZVFWFLSA-N 2 2 320.481 1.600 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481863 418478371 /nfs/dbraw/zinc/47/83/71/418478371.db2.gz LZUUJLQIIRCTTM-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481863 418478373 /nfs/dbraw/zinc/47/83/73/418478373.db2.gz LZUUJLQIIRCTTM-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481863 418478376 /nfs/dbraw/zinc/47/83/76/418478376.db2.gz LZUUJLQIIRCTTM-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481863 418478378 /nfs/dbraw/zinc/47/83/78/418478378.db2.gz LZUUJLQIIRCTTM-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccnc3C#N)CC2)CC1 ZINC000291007967 222067505 /nfs/dbraw/zinc/06/75/05/222067505.db2.gz VWCYRHWHKYHBGQ-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190977528 222092477 /nfs/dbraw/zinc/09/24/77/222092477.db2.gz PILOXHBDELXZST-UHFFFAOYSA-N 2 2 318.465 1.904 20 30 DDEDLP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000261885169 222261134 /nfs/dbraw/zinc/26/11/34/222261134.db2.gz RSEPSIASQVVHHL-GXTWGEPZSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000261885169 222261136 /nfs/dbraw/zinc/26/11/36/222261136.db2.gz RSEPSIASQVVHHL-GXTWGEPZSA-N 2 2 322.478 1.578 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)Cc1ccccc1 ZINC000264114737 222319399 /nfs/dbraw/zinc/31/93/99/222319399.db2.gz SBESXJLPMDEDAQ-KRWDZBQOSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)Cc1ccccc1 ZINC000264114737 222319402 /nfs/dbraw/zinc/31/94/02/222319402.db2.gz SBESXJLPMDEDAQ-KRWDZBQOSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264114737 222319405 /nfs/dbraw/zinc/31/94/05/222319405.db2.gz SBESXJLPMDEDAQ-KRWDZBQOSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264114737 222319408 /nfs/dbraw/zinc/31/94/08/222319408.db2.gz SBESXJLPMDEDAQ-KRWDZBQOSA-N 3 2 317.481 1.507 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264120661 222320392 /nfs/dbraw/zinc/32/03/92/222320392.db2.gz UQTFGUGGRCNCMY-OAHLLOKOSA-N 2 2 301.438 1.287 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](CC#Cc3ccccc3)CC2)cc[nH+]1 ZINC000361833192 418715161 /nfs/dbraw/zinc/71/51/61/418715161.db2.gz MUTINEAJXZKYSI-UHFFFAOYSA-N 2 2 321.428 1.716 20 30 DDEDLP C[NH+]1CCC(CNC(=O)C2(C#N)CCC2)([NH+]2CCCCC2)CC1 ZINC000369650384 418736096 /nfs/dbraw/zinc/73/60/96/418736096.db2.gz UKIKICIVYMTKNG-UHFFFAOYSA-N 2 2 318.465 1.747 20 30 DDEDLP CN(C(=O)C1(C#N)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830355 418748201 /nfs/dbraw/zinc/74/82/01/418748201.db2.gz MRGIOHVURQSRON-MRXNPFEDSA-N 2 2 318.465 1.697 20 30 DDEDLP CN(C(=O)C1(C#N)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830355 418748203 /nfs/dbraw/zinc/74/82/03/418748203.db2.gz MRGIOHVURQSRON-MRXNPFEDSA-N 2 2 318.465 1.697 20 30 DDEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371147507 418765310 /nfs/dbraw/zinc/76/53/10/418765310.db2.gz JIXVXIDGCKDUOO-HNNXBMFYSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371147507 418765312 /nfs/dbraw/zinc/76/53/12/418765312.db2.gz JIXVXIDGCKDUOO-HNNXBMFYSA-N 2 2 315.421 1.127 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364743551 418807677 /nfs/dbraw/zinc/80/76/77/418807677.db2.gz RRFHNVCODBQLHG-IAGOWNOFSA-N 2 2 305.466 1.712 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364743551 418807678 /nfs/dbraw/zinc/80/76/78/418807678.db2.gz RRFHNVCODBQLHG-IAGOWNOFSA-N 2 2 305.466 1.712 20 30 DDEDLP C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365583403 418878896 /nfs/dbraw/zinc/87/88/96/418878896.db2.gz GMBNVTZVBJIPBN-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCOCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365583403 418878897 /nfs/dbraw/zinc/87/88/97/418878897.db2.gz GMBNVTZVBJIPBN-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000424137696 228233436 /nfs/dbraw/zinc/23/34/36/228233436.db2.gz SKSKWCAOJSOQHQ-GFCCVEGCSA-N 2 2 305.769 1.625 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000454547484 420879903 /nfs/dbraw/zinc/87/99/03/420879903.db2.gz OXICVWGJYNOAKX-ZDUSSCGKSA-N 2 2 305.426 1.914 20 30 DDEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000565651182 421599792 /nfs/dbraw/zinc/59/97/92/421599792.db2.gz MLLCSNZMMHRIPD-IAGOWNOFSA-N 2 2 303.406 1.696 20 30 DDEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000565651182 421599793 /nfs/dbraw/zinc/59/97/93/421599793.db2.gz MLLCSNZMMHRIPD-IAGOWNOFSA-N 2 2 303.406 1.696 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398571 266102046 /nfs/dbraw/zinc/10/20/46/266102046.db2.gz UMKZDFXNAWKVLY-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398571 266102049 /nfs/dbraw/zinc/10/20/49/266102049.db2.gz UMKZDFXNAWKVLY-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398571 266102053 /nfs/dbraw/zinc/10/20/53/266102053.db2.gz UMKZDFXNAWKVLY-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362398571 266102056 /nfs/dbraw/zinc/10/20/56/266102056.db2.gz UMKZDFXNAWKVLY-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330188341 289395226 /nfs/dbraw/zinc/39/52/26/289395226.db2.gz LBBFBGFIXZKIQD-KFWWJZLASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000330188341 289395227 /nfs/dbraw/zinc/39/52/27/289395227.db2.gz LBBFBGFIXZKIQD-KFWWJZLASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330188341 289395228 /nfs/dbraw/zinc/39/52/28/289395228.db2.gz LBBFBGFIXZKIQD-KFWWJZLASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000330188341 289395229 /nfs/dbraw/zinc/39/52/29/289395229.db2.gz LBBFBGFIXZKIQD-KFWWJZLASA-N 2 2 319.453 1.822 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000571682811 308200324 /nfs/dbraw/zinc/20/03/24/308200324.db2.gz XKVCNBULEBRABS-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000571682811 308200326 /nfs/dbraw/zinc/20/03/26/308200326.db2.gz XKVCNBULEBRABS-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000365736281 333453741 /nfs/dbraw/zinc/45/37/41/333453741.db2.gz NQDSMTHZGRQYFF-ZACQAIPSSA-N 2 2 306.454 1.065 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244253 336397741 /nfs/dbraw/zinc/39/77/41/336397741.db2.gz BTNCWJBJYXWFJK-RHSMWYFYSA-N 2 2 317.437 1.963 20 30 DDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459465606 339030712 /nfs/dbraw/zinc/03/07/12/339030712.db2.gz NJGZDPRMTNJNNB-ZBFHGGJFSA-N 2 2 316.405 1.206 20 30 DDEDLP C=C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834774 486122454 /nfs/dbraw/zinc/12/24/54/486122454.db2.gz NQCFIKMMLVAHPS-HOTGVXAUSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834774 486122457 /nfs/dbraw/zinc/12/24/57/486122457.db2.gz NQCFIKMMLVAHPS-HOTGVXAUSA-N 2 2 320.481 1.905 20 30 DDEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2 ZINC000424142224 526813853 /nfs/dbraw/zinc/81/38/53/526813853.db2.gz DQMGBSZXLLGPKS-STQMWFEESA-N 2 2 317.437 1.633 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000491715533 526947700 /nfs/dbraw/zinc/94/77/00/526947700.db2.gz QBTCAKSDSXBFFM-CYBMUJFWSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000491715533 526947702 /nfs/dbraw/zinc/94/77/02/526947702.db2.gz QBTCAKSDSXBFFM-CYBMUJFWSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2SCC)CC1 ZINC000490719978 526951276 /nfs/dbraw/zinc/95/12/76/526951276.db2.gz PIGAKKLXFBEFGR-JKSUJKDBSA-N 2 2 323.506 1.418 20 30 DDEDLP C=CC[NH+]1CCC(Nc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000819750270 599540615 /nfs/dbraw/zinc/54/06/15/599540615.db2.gz BWXNHXGMCKIUKO-UHFFFAOYSA-N 2 2 313.409 1.941 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978484315 696390734 /nfs/dbraw/zinc/39/07/34/696390734.db2.gz NRNBENGGMWIXQO-QKDCVEJESA-N 2 2 308.385 1.265 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978484315 696390737 /nfs/dbraw/zinc/39/07/37/696390737.db2.gz NRNBENGGMWIXQO-QKDCVEJESA-N 2 2 308.385 1.265 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472890 697105903 /nfs/dbraw/zinc/10/59/03/697105903.db2.gz SSAFVWPQTFPTTB-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472890 697105904 /nfs/dbraw/zinc/10/59/04/697105904.db2.gz SSAFVWPQTFPTTB-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000749243714 700153093 /nfs/dbraw/zinc/15/30/93/700153093.db2.gz XTRUKALCAUEKKE-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H]1C ZINC000987187686 698026301 /nfs/dbraw/zinc/02/63/01/698026301.db2.gz XSFYLQJKCWBWGH-GDBMZVCRSA-N 2 2 312.417 1.950 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988878321 698490287 /nfs/dbraw/zinc/49/02/87/698490287.db2.gz ZQYAKTWLSABPJG-GJZGRUSLSA-N 2 2 316.449 1.917 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763241527 700931002 /nfs/dbraw/zinc/93/10/02/700931002.db2.gz PJUOZHYYVYVSCW-ZWKOTPCHSA-N 2 2 317.433 1.538 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763241527 700931004 /nfs/dbraw/zinc/93/10/04/700931004.db2.gz PJUOZHYYVYVSCW-ZWKOTPCHSA-N 2 2 317.433 1.538 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573064 706722713 /nfs/dbraw/zinc/72/27/13/706722713.db2.gz LPLYYHNMCBRQBD-HOTGVXAUSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573064 706722716 /nfs/dbraw/zinc/72/27/16/706722716.db2.gz LPLYYHNMCBRQBD-HOTGVXAUSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573064 706722720 /nfs/dbraw/zinc/72/27/20/706722720.db2.gz LPLYYHNMCBRQBD-HOTGVXAUSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573064 706722724 /nfs/dbraw/zinc/72/27/24/706722724.db2.gz LPLYYHNMCBRQBD-HOTGVXAUSA-N 2 2 315.417 1.972 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000822475420 704956211 /nfs/dbraw/zinc/95/62/11/704956211.db2.gz CZPIOJTZUCSOHS-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP CC(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876718897 705837179 /nfs/dbraw/zinc/83/71/79/705837179.db2.gz XZHIYJOESZJAJM-KRWDZBQOSA-N 2 2 312.417 1.298 20 30 DDEDLP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc[nH+]c(C)c1 ZINC000863159394 705870250 /nfs/dbraw/zinc/87/02/50/705870250.db2.gz PBBKGYYSERLQRU-UHFFFAOYSA-N 2 2 314.393 1.136 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921655437 713832693 /nfs/dbraw/zinc/83/26/93/713832693.db2.gz ZZNMINHKTIUKDK-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921655437 713832696 /nfs/dbraw/zinc/83/26/96/713832696.db2.gz ZZNMINHKTIUKDK-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924579756 714612141 /nfs/dbraw/zinc/61/21/41/714612141.db2.gz ZGGRNLOXCJCDEG-KRWDZBQOSA-N 2 2 316.449 1.942 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901491 714692137 /nfs/dbraw/zinc/69/21/37/714692137.db2.gz JYUUEIGFRPNJHG-HUUCEWRRSA-N 2 2 308.470 1.847 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901491 714692138 /nfs/dbraw/zinc/69/21/38/714692138.db2.gz JYUUEIGFRPNJHG-HUUCEWRRSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626399 715973657 /nfs/dbraw/zinc/97/36/57/715973657.db2.gz OCZBXFAOXURLNA-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960646873 716645103 /nfs/dbraw/zinc/64/51/03/716645103.db2.gz SSHYBVCCDKNNTH-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960646873 716645106 /nfs/dbraw/zinc/64/51/06/716645106.db2.gz SSHYBVCCDKNNTH-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961244007 716877278 /nfs/dbraw/zinc/87/72/78/716877278.db2.gz ASJDMRZOEBNOKH-LSDHHAIUSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961244007 716877282 /nfs/dbraw/zinc/87/72/82/716877282.db2.gz ASJDMRZOEBNOKH-LSDHHAIUSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940822297 716975779 /nfs/dbraw/zinc/97/57/79/716975779.db2.gz ZXBIZZNAVGEJAD-FMKPAKJESA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940822297 716975784 /nfs/dbraw/zinc/97/57/84/716975784.db2.gz ZXBIZZNAVGEJAD-FMKPAKJESA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940822297 716975787 /nfs/dbraw/zinc/97/57/87/716975787.db2.gz ZXBIZZNAVGEJAD-FMKPAKJESA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940822297 716975790 /nfs/dbraw/zinc/97/57/90/716975790.db2.gz ZXBIZZNAVGEJAD-FMKPAKJESA-N 2 2 314.433 1.753 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063118 717459135 /nfs/dbraw/zinc/45/91/35/717459135.db2.gz CNWKLNQMCPCEJM-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063118 717459136 /nfs/dbraw/zinc/45/91/36/717459136.db2.gz CNWKLNQMCPCEJM-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000963550876 717826989 /nfs/dbraw/zinc/82/69/89/717826989.db2.gz IUKPOMGXLBHSKK-UHFFFAOYSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966230585 718475948 /nfs/dbraw/zinc/47/59/48/718475948.db2.gz FZXVYNAPYIMRST-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966230585 718475950 /nfs/dbraw/zinc/47/59/50/718475950.db2.gz FZXVYNAPYIMRST-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767439 719696090 /nfs/dbraw/zinc/69/60/90/719696090.db2.gz WIAVZKXPQSRQMF-LSDHHAIUSA-N 2 2 314.433 1.776 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767439 719696093 /nfs/dbraw/zinc/69/60/93/719696093.db2.gz WIAVZKXPQSRQMF-LSDHHAIUSA-N 2 2 314.433 1.776 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948939397 719794586 /nfs/dbraw/zinc/79/45/86/719794586.db2.gz LBNAIPSUMFWMCD-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000969065957 719945850 /nfs/dbraw/zinc/94/58/50/719945850.db2.gz BYPIYDFQDCFCJX-CYBMUJFWSA-N 2 2 310.829 1.870 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969910080 720557137 /nfs/dbraw/zinc/55/71/37/720557137.db2.gz ADVKQYOSATYYBA-VXGBXAGGSA-N 2 2 308.813 1.773 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969998389 720592382 /nfs/dbraw/zinc/59/23/82/720592382.db2.gz RQVRBFUIWXXMCT-WCQYABFASA-N 2 2 302.422 1.446 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970447471 720765968 /nfs/dbraw/zinc/76/59/68/720765968.db2.gz QPNNBSPPNNQFIR-FVQBIDKESA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752898 733514009 /nfs/dbraw/zinc/51/40/09/733514009.db2.gz AICLMYWISJLNMM-HUUCEWRRSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752898 733514012 /nfs/dbraw/zinc/51/40/12/733514012.db2.gz AICLMYWISJLNMM-HUUCEWRRSA-N 2 2 322.840 1.949 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367448 734389116 /nfs/dbraw/zinc/38/91/16/734389116.db2.gz UGASNMPGNXPQMY-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647522 736000104 /nfs/dbraw/zinc/00/01/04/736000104.db2.gz NLHHXUHWIATIKW-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647522 736000108 /nfs/dbraw/zinc/00/01/08/736000108.db2.gz NLHHXUHWIATIKW-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307366 736013998 /nfs/dbraw/zinc/01/39/98/736013998.db2.gz YTCJPSQEMGHEEN-KBMXLJTQSA-N 2 2 302.422 1.743 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307366 736014000 /nfs/dbraw/zinc/01/40/00/736014000.db2.gz YTCJPSQEMGHEEN-KBMXLJTQSA-N 2 2 302.422 1.743 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310014 736040725 /nfs/dbraw/zinc/04/07/25/736040725.db2.gz PMADDCBIVFYBTG-KCXAZCMYSA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310014 736040730 /nfs/dbraw/zinc/04/07/30/736040730.db2.gz PMADDCBIVFYBTG-KCXAZCMYSA-N 2 2 300.406 1.191 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289793 736410421 /nfs/dbraw/zinc/41/04/21/736410421.db2.gz SHAJGQOIQYXXCS-SJORKVTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289793 736410422 /nfs/dbraw/zinc/41/04/22/736410422.db2.gz SHAJGQOIQYXXCS-SJORKVTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]12 ZINC001026400166 737482428 /nfs/dbraw/zinc/48/24/28/737482428.db2.gz FMUSVSHDULUOSP-BPLDGKMQSA-N 2 2 322.840 1.542 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001101044792 742347946 /nfs/dbraw/zinc/34/79/46/742347946.db2.gz OYGGVJQJNMDLKW-PREGVCBESA-N 2 2 314.433 1.192 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035482900 751536684 /nfs/dbraw/zinc/53/66/84/751536684.db2.gz FGPUEYLJJCYXMH-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482900 751536689 /nfs/dbraw/zinc/53/66/89/751536689.db2.gz FGPUEYLJJCYXMH-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482900 751536693 /nfs/dbraw/zinc/53/66/93/751536693.db2.gz FGPUEYLJJCYXMH-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482900 751536699 /nfs/dbraw/zinc/53/66/99/751536699.db2.gz FGPUEYLJJCYXMH-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720374 740720260 /nfs/dbraw/zinc/72/02/60/740720260.db2.gz QPKXFPSFAVYZSU-IJEWVQPXSA-N 2 2 314.433 1.822 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720374 740720261 /nfs/dbraw/zinc/72/02/61/740720261.db2.gz QPKXFPSFAVYZSU-IJEWVQPXSA-N 2 2 314.433 1.822 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001088351408 741428643 /nfs/dbraw/zinc/42/86/43/741428643.db2.gz ATJANXKYPHLEEB-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582271 741898728 /nfs/dbraw/zinc/89/87/28/741898728.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 2 315.421 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582271 741898732 /nfs/dbraw/zinc/89/87/32/741898732.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 2 315.421 1.002 20 30 DDEDLP C#CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001088582271 741898736 /nfs/dbraw/zinc/89/87/36/741898736.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 2 315.421 1.002 20 30 DDEDLP C#CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001088582271 741898740 /nfs/dbraw/zinc/89/87/40/741898740.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 2 315.421 1.002 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035734158 751827574 /nfs/dbraw/zinc/82/75/74/751827574.db2.gz PXPUDWULYQKTON-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767446 743721253 /nfs/dbraw/zinc/72/12/53/743721253.db2.gz FIKSWXYIEHBDLG-HLLBOEOZSA-N 2 2 302.422 1.542 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271428 743813452 /nfs/dbraw/zinc/81/34/52/743813452.db2.gz KOXZSVDXKTYCEM-CXAGYDPISA-N 2 2 302.422 1.358 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184272706 743997605 /nfs/dbraw/zinc/99/76/05/743997605.db2.gz HJOXNOYKLOTSQT-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185786788 744285633 /nfs/dbraw/zinc/28/56/33/744285633.db2.gz AYDMHMWJQCQHAB-SJORKVTESA-N 2 2 316.449 1.761 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088975713 744422040 /nfs/dbraw/zinc/42/20/40/744422040.db2.gz LQFSGNFTHNQLSX-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088975713 744422042 /nfs/dbraw/zinc/42/20/42/744422042.db2.gz LQFSGNFTHNQLSX-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000992797087 745204345 /nfs/dbraw/zinc/20/43/45/745204345.db2.gz XFYOGABEDNEHLS-OWCLPIDISA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992841736 745242751 /nfs/dbraw/zinc/24/27/51/745242751.db2.gz ANCVDRQENPSTKB-HZSPNIEDSA-N 2 2 322.840 1.921 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990235 745398046 /nfs/dbraw/zinc/39/80/46/745398046.db2.gz ZHPXZZFGQUBTAM-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990235 745398049 /nfs/dbraw/zinc/39/80/49/745398049.db2.gz ZHPXZZFGQUBTAM-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340069 745613130 /nfs/dbraw/zinc/61/31/30/745613130.db2.gz KKXZPAMLIUOKMX-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748225 746024103 /nfs/dbraw/zinc/02/41/03/746024103.db2.gz ONSWSROAIBUHCW-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748225 746024108 /nfs/dbraw/zinc/02/41/08/746024108.db2.gz ONSWSROAIBUHCW-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993904970 746383326 /nfs/dbraw/zinc/38/33/26/746383326.db2.gz OGLIXEDFGPOCDI-LSDHHAIUSA-N 2 2 302.422 1.609 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993904970 746383330 /nfs/dbraw/zinc/38/33/30/746383330.db2.gz OGLIXEDFGPOCDI-LSDHHAIUSA-N 2 2 302.422 1.609 20 30 DDEDLP C=CCOCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195651891 746673413 /nfs/dbraw/zinc/67/34/13/746673413.db2.gz DCXZQMZRJVIYGK-UHFFFAOYSA-N 2 2 306.410 1.079 20 30 DDEDLP C=CCOCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195651891 746673416 /nfs/dbraw/zinc/67/34/16/746673416.db2.gz DCXZQMZRJVIYGK-UHFFFAOYSA-N 2 2 306.410 1.079 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547836 747365940 /nfs/dbraw/zinc/36/59/40/747365940.db2.gz VCFFIPXGKMJJLV-HZPDHXFCSA-N 2 2 316.449 1.826 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900812 747706954 /nfs/dbraw/zinc/70/69/54/747706954.db2.gz MXJMCQVWUJCPCB-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200730231 748334598 /nfs/dbraw/zinc/33/45/98/748334598.db2.gz SALALHAXXQFWQS-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200730231 748334607 /nfs/dbraw/zinc/33/46/07/748334607.db2.gz SALALHAXXQFWQS-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C#N)c(C)c1Cl ZINC001168735675 748434306 /nfs/dbraw/zinc/43/43/06/748434306.db2.gz CSPFSXNVNPTRTD-UHFFFAOYSA-N 2 2 322.800 1.518 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201612239 748559405 /nfs/dbraw/zinc/55/94/05/748559405.db2.gz NPULJMMNAWNCHD-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201612239 748559411 /nfs/dbraw/zinc/55/94/11/748559411.db2.gz NPULJMMNAWNCHD-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004596967 748574681 /nfs/dbraw/zinc/57/46/81/748574681.db2.gz PAWLAODWAOTCHR-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004596967 748574684 /nfs/dbraw/zinc/57/46/84/748574684.db2.gz PAWLAODWAOTCHR-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004596967 748574686 /nfs/dbraw/zinc/57/46/86/748574686.db2.gz PAWLAODWAOTCHR-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004596967 748574692 /nfs/dbraw/zinc/57/46/92/748574692.db2.gz PAWLAODWAOTCHR-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254671 761893977 /nfs/dbraw/zinc/89/39/77/761893977.db2.gz YXMAXWZBGRMVLZ-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254671 761893989 /nfs/dbraw/zinc/89/39/89/761893989.db2.gz YXMAXWZBGRMVLZ-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033209163 748938968 /nfs/dbraw/zinc/93/89/68/748938968.db2.gz YMKFIROUDMPAOQ-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033209163 748938973 /nfs/dbraw/zinc/93/89/73/748938973.db2.gz YMKFIROUDMPAOQ-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213148 748951149 /nfs/dbraw/zinc/95/11/49/748951149.db2.gz YGFXPNRLZZAPCQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213148 748951154 /nfs/dbraw/zinc/95/11/54/748951154.db2.gz YGFXPNRLZZAPCQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213148 748951158 /nfs/dbraw/zinc/95/11/58/748951158.db2.gz YGFXPNRLZZAPCQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213148 748951163 /nfs/dbraw/zinc/95/11/63/748951163.db2.gz YGFXPNRLZZAPCQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445061 749219080 /nfs/dbraw/zinc/21/90/80/749219080.db2.gz IVAPLDXJILGGFN-QXSJWSMHSA-N 2 2 300.406 1.150 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445061 749219082 /nfs/dbraw/zinc/21/90/82/749219082.db2.gz IVAPLDXJILGGFN-QXSJWSMHSA-N 2 2 300.406 1.150 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995983255 749316030 /nfs/dbraw/zinc/31/60/30/749316030.db2.gz XKHUFWLPHQWKEY-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948773 750169297 /nfs/dbraw/zinc/16/92/97/750169297.db2.gz CEBAGYKNEGJFCC-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948773 750169300 /nfs/dbraw/zinc/16/93/00/750169300.db2.gz CEBAGYKNEGJFCC-UONOGXRCSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465052 762055855 /nfs/dbraw/zinc/05/58/55/762055855.db2.gz LFPZOVKFEXPOOS-ZBFHGGJFSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465052 762055863 /nfs/dbraw/zinc/05/58/63/762055863.db2.gz LFPZOVKFEXPOOS-ZBFHGGJFSA-N 2 2 302.422 1.604 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001034679551 750684399 /nfs/dbraw/zinc/68/43/99/750684399.db2.gz WCYRKWMEMJEQTA-RBSFLKMASA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001034679551 750684402 /nfs/dbraw/zinc/68/44/02/750684402.db2.gz WCYRKWMEMJEQTA-RBSFLKMASA-N 2 2 314.433 1.473 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941205 750753665 /nfs/dbraw/zinc/75/36/65/750753665.db2.gz AARPFBLNLSXXND-FUHWJXTLSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941205 750753671 /nfs/dbraw/zinc/75/36/71/750753671.db2.gz AARPFBLNLSXXND-FUHWJXTLSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941205 750753675 /nfs/dbraw/zinc/75/36/75/750753675.db2.gz AARPFBLNLSXXND-FUHWJXTLSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941205 750753680 /nfs/dbraw/zinc/75/36/80/750753680.db2.gz AARPFBLNLSXXND-FUHWJXTLSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001108155351 750854655 /nfs/dbraw/zinc/85/46/55/750854655.db2.gz PQZMNQVXXOGHGO-FUHWJXTLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001108155351 750854661 /nfs/dbraw/zinc/85/46/61/750854661.db2.gz PQZMNQVXXOGHGO-FUHWJXTLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001108155351 750854668 /nfs/dbraw/zinc/85/46/68/750854668.db2.gz PQZMNQVXXOGHGO-FUHWJXTLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001108155351 750854675 /nfs/dbraw/zinc/85/46/75/750854675.db2.gz PQZMNQVXXOGHGO-FUHWJXTLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000997381617 750903710 /nfs/dbraw/zinc/90/37/10/750903710.db2.gz ZZZBCOPLFFTBMF-MRXNPFEDSA-N 2 2 302.422 1.451 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485517 751004512 /nfs/dbraw/zinc/00/45/12/751004512.db2.gz SESZAVVYWVHTIU-ILXRZTDVSA-N 2 2 314.433 1.684 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485517 751004519 /nfs/dbraw/zinc/00/45/19/751004519.db2.gz SESZAVVYWVHTIU-ILXRZTDVSA-N 2 2 314.433 1.684 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485517 751004524 /nfs/dbraw/zinc/00/45/24/751004524.db2.gz SESZAVVYWVHTIU-ILXRZTDVSA-N 2 2 314.433 1.684 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485517 751004530 /nfs/dbraw/zinc/00/45/30/751004530.db2.gz SESZAVVYWVHTIU-ILXRZTDVSA-N 2 2 314.433 1.684 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999013056 752435529 /nfs/dbraw/zinc/43/55/29/752435529.db2.gz SVPZMDKOURMMHF-HSBZDZAISA-N 2 2 322.840 1.777 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664462 752651567 /nfs/dbraw/zinc/65/15/67/752651567.db2.gz CLGCMVHGWFSGEI-GJZGRUSLSA-N 2 2 302.422 1.868 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664462 752651574 /nfs/dbraw/zinc/65/15/74/752651574.db2.gz CLGCMVHGWFSGEI-GJZGRUSLSA-N 2 2 302.422 1.868 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001032674380 752703332 /nfs/dbraw/zinc/70/33/32/752703332.db2.gz ONPFFXBRLFRWQW-KBMXLJTQSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001032674380 752703337 /nfs/dbraw/zinc/70/33/37/752703337.db2.gz ONPFFXBRLFRWQW-KBMXLJTQSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001032674380 752703341 /nfs/dbraw/zinc/70/33/41/752703341.db2.gz ONPFFXBRLFRWQW-KBMXLJTQSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001032674380 752703345 /nfs/dbraw/zinc/70/33/45/752703345.db2.gz ONPFFXBRLFRWQW-KBMXLJTQSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702015 753495357 /nfs/dbraw/zinc/49/53/57/753495357.db2.gz HABGJBUMWFZSAQ-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702015 753495362 /nfs/dbraw/zinc/49/53/62/753495362.db2.gz HABGJBUMWFZSAQ-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078657150 754255543 /nfs/dbraw/zinc/25/55/43/754255543.db2.gz PZYQERRJWVOCAL-CVEARBPZSA-N 2 2 313.401 1.283 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991498 755668060 /nfs/dbraw/zinc/66/80/60/755668060.db2.gz JXCKYSCUTNBJIN-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991498 755668063 /nfs/dbraw/zinc/66/80/63/755668063.db2.gz JXCKYSCUTNBJIN-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016392259 756988013 /nfs/dbraw/zinc/98/80/13/756988013.db2.gz AFKKHCRHEVPSHB-INIZCTEOSA-N 2 2 309.373 1.145 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016392259 756988024 /nfs/dbraw/zinc/98/80/24/756988024.db2.gz AFKKHCRHEVPSHB-INIZCTEOSA-N 2 2 309.373 1.145 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444713 757174085 /nfs/dbraw/zinc/17/40/85/757174085.db2.gz DILFVRVEZLBPLJ-OIISXLGYSA-N 2 2 308.385 1.693 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444713 757174090 /nfs/dbraw/zinc/17/40/90/757174090.db2.gz DILFVRVEZLBPLJ-OIISXLGYSA-N 2 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ZINC001166961530 870425028 /nfs/dbraw/zinc/42/50/28/870425028.db2.gz RCLDMWHIDSQHBK-RBSFLKMASA-N 2 2 304.438 1.974 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676502 870704947 /nfs/dbraw/zinc/70/49/47/870704947.db2.gz DZKYBWZCHVFJBR-GJZGRUSLSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203813955 870774018 /nfs/dbraw/zinc/77/40/18/870774018.db2.gz GKVSVLJUFNMYOV-LSDHHAIUSA-N 2 2 318.421 1.103 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317433005 870826545 /nfs/dbraw/zinc/82/65/45/870826545.db2.gz CHUUDBLXHWZHTE-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317433005 870826556 /nfs/dbraw/zinc/82/65/56/870826556.db2.gz CHUUDBLXHWZHTE-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853458 871594822 /nfs/dbraw/zinc/59/48/22/871594822.db2.gz LMEAMGYEQDHIKU-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853458 871594841 /nfs/dbraw/zinc/59/48/41/871594841.db2.gz LMEAMGYEQDHIKU-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853458 871594851 /nfs/dbraw/zinc/59/48/51/871594851.db2.gz LMEAMGYEQDHIKU-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853458 871594860 /nfs/dbraw/zinc/59/48/60/871594860.db2.gz LMEAMGYEQDHIKU-HUUCEWRRSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317880620 871615646 /nfs/dbraw/zinc/61/56/46/871615646.db2.gz YXXCTXNXNUCWGF-AWEZNQCLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317880620 871615655 /nfs/dbraw/zinc/61/56/55/871615655.db2.gz YXXCTXNXNUCWGF-AWEZNQCLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317880620 871615664 /nfs/dbraw/zinc/61/56/64/871615664.db2.gz YXXCTXNXNUCWGF-AWEZNQCLSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317880620 871615673 /nfs/dbraw/zinc/61/56/73/871615673.db2.gz YXXCTXNXNUCWGF-AWEZNQCLSA-N 2 2 302.422 1.392 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341382873 871631710 /nfs/dbraw/zinc/63/17/10/871631710.db2.gz KLCPQMBFGVUAOW-IAGOWNOFSA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341382873 871631722 /nfs/dbraw/zinc/63/17/22/871631722.db2.gz KLCPQMBFGVUAOW-IAGOWNOFSA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCN(CC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1)C(=O)OCC ZINC001205735638 871766110 /nfs/dbraw/zinc/76/61/10/871766110.db2.gz OUVOHSPCIZYNOY-GFCCVEGCSA-N 2 2 305.369 1.547 20 30 DDEDLP C=CCN(CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1)C(=O)OCC ZINC001205735638 871766115 /nfs/dbraw/zinc/76/61/15/871766115.db2.gz OUVOHSPCIZYNOY-GFCCVEGCSA-N 2 2 305.369 1.547 20 30 DDEDLP C=CCCC[NH+]1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001318129213 871769796 /nfs/dbraw/zinc/76/97/96/871769796.db2.gz KWYSFEKXSCCLIN-UHFFFAOYSA-N 2 2 303.406 1.647 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205741454 871772566 /nfs/dbraw/zinc/77/25/66/871772566.db2.gz GBYMJVRFIVQICF-UHFFFAOYSA-N 2 2 324.856 1.933 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001316703737 871892102 /nfs/dbraw/zinc/89/21/02/871892102.db2.gz NQFMQCVZSCXEMW-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCC1 ZINC001318643591 872184159 /nfs/dbraw/zinc/18/41/59/872184159.db2.gz XREIZNLVOPORDW-UHFFFAOYSA-N 2 2 315.417 1.675 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001319102294 872438795 /nfs/dbraw/zinc/43/87/95/872438795.db2.gz RTDTVNSJMRCQLT-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001319102294 872438801 /nfs/dbraw/zinc/43/88/01/872438801.db2.gz RTDTVNSJMRCQLT-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207758001 873536390 /nfs/dbraw/zinc/53/63/90/873536390.db2.gz RHDIQUOQGCIFGF-DGCLKSJQSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207758001 873536364 /nfs/dbraw/zinc/53/63/64/873536364.db2.gz RHDIQUOQGCIFGF-DGCLKSJQSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207758001 873536374 /nfs/dbraw/zinc/53/63/74/873536374.db2.gz RHDIQUOQGCIFGF-DGCLKSJQSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207758001 873536380 /nfs/dbraw/zinc/53/63/80/873536380.db2.gz RHDIQUOQGCIFGF-DGCLKSJQSA-N 2 2 301.862 1.906 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622692 874714932 /nfs/dbraw/zinc/71/49/32/874714932.db2.gz AZFOQUUSYFMDHM-IAGOWNOFSA-N 2 2 313.445 1.749 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622692 874714937 /nfs/dbraw/zinc/71/49/37/874714937.db2.gz AZFOQUUSYFMDHM-IAGOWNOFSA-N 2 2 313.445 1.749 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210724479 875501897 /nfs/dbraw/zinc/50/18/97/875501897.db2.gz XTVLDRKXNLZLHG-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210724479 875501904 /nfs/dbraw/zinc/50/19/04/875501904.db2.gz XTVLDRKXNLZLHG-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001351948807 876528302 /nfs/dbraw/zinc/52/83/02/876528302.db2.gz IPNBOZGVZXTPSV-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001351948807 876528312 /nfs/dbraw/zinc/52/83/12/876528312.db2.gz IPNBOZGVZXTPSV-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001351948807 876528322 /nfs/dbraw/zinc/52/83/22/876528322.db2.gz IPNBOZGVZXTPSV-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001351948807 876528329 /nfs/dbraw/zinc/52/83/29/876528329.db2.gz IPNBOZGVZXTPSV-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001276779245 877440056 /nfs/dbraw/zinc/44/00/56/877440056.db2.gz QLXBFWLGRUJCQM-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001276779245 877440062 /nfs/dbraw/zinc/44/00/62/877440062.db2.gz QLXBFWLGRUJCQM-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224307236 881321609 /nfs/dbraw/zinc/32/16/09/881321609.db2.gz XFVKRYBWANDLDH-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224307236 881321628 /nfs/dbraw/zinc/32/16/28/881321628.db2.gz XFVKRYBWANDLDH-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277863427 888064623 /nfs/dbraw/zinc/06/46/23/888064623.db2.gz PAOAKERPXAPMGU-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001278208683 890151418 /nfs/dbraw/zinc/15/14/18/890151418.db2.gz ZOJHKIREEMLMSP-HNNXBMFYSA-N 2 2 320.412 1.557 20 30 DDEDLP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562367 892702068 /nfs/dbraw/zinc/70/20/68/892702068.db2.gz ZZVYZCDKEGVNOP-JCCCHCCOSA-N 2 2 303.381 1.533 20 30 DDEDLP N#CC1(c2ccc(F)cc2)CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562367 892702073 /nfs/dbraw/zinc/70/20/73/892702073.db2.gz ZZVYZCDKEGVNOP-JCCCHCCOSA-N 2 2 303.381 1.533 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366482526 893700381 /nfs/dbraw/zinc/70/03/81/893700381.db2.gz XXFSWONCULWAOI-OLZOCXBDSA-N 2 2 310.829 1.682 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001252467929 895181246 /nfs/dbraw/zinc/18/12/46/895181246.db2.gz IKFVWFYXWARXKK-INIZCTEOSA-N 2 2 300.418 1.448 20 30 DDEDLP C=CCOC[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252473945 895193428 /nfs/dbraw/zinc/19/34/28/895193428.db2.gz SVECCUSYXCLLEX-KRWDZBQOSA-N 2 2 301.390 1.868 20 30 DDEDLP C=CCOC[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252473945 895193436 /nfs/dbraw/zinc/19/34/36/895193436.db2.gz SVECCUSYXCLLEX-KRWDZBQOSA-N 2 2 301.390 1.868 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001265372883 901936382 /nfs/dbraw/zinc/93/63/82/901936382.db2.gz RRHQHQPFUMBWJQ-KFWWJZLASA-N 2 2 302.422 1.584 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265593406 902174403 /nfs/dbraw/zinc/17/44/03/902174403.db2.gz WDZRFDARSVBSQV-HZPDHXFCSA-N 2 2 302.422 1.686 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265593406 902174415 /nfs/dbraw/zinc/17/44/15/902174415.db2.gz WDZRFDARSVBSQV-HZPDHXFCSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(C)C[NH2+]C1CC[NH+](CCNC(=O)Cc2ccc[nH]2)CC1 ZINC001279453745 903263338 /nfs/dbraw/zinc/26/33/38/903263338.db2.gz NQHFZLGVSXGHQM-UHFFFAOYSA-N 2 2 304.438 1.304 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001281681364 905156422 /nfs/dbraw/zinc/15/64/22/905156422.db2.gz AQEYMFIMDBPTBD-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001281681364 905156432 /nfs/dbraw/zinc/15/64/32/905156432.db2.gz AQEYMFIMDBPTBD-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283905134 908162942 /nfs/dbraw/zinc/16/29/42/908162942.db2.gz JFGHFPLRQQSBQN-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001284603611 909239824 /nfs/dbraw/zinc/23/98/24/909239824.db2.gz JDFXWXBIMXXURD-GOEBONIOSA-N 2 2 316.449 1.589 20 30 DDEDLP C[C@H](C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000329924357 223047997 /nfs/dbraw/zinc/04/79/97/223047997.db2.gz UYFRBUMAZADKHL-CABCVRRESA-N 2 2 319.453 1.681 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157286 360267612 /nfs/dbraw/zinc/26/76/12/360267612.db2.gz BDYJCWDPECPFGP-ZBFHGGJFSA-N 2 2 303.410 1.574 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157286 360267619 /nfs/dbraw/zinc/26/76/19/360267619.db2.gz BDYJCWDPECPFGP-ZBFHGGJFSA-N 2 2 303.410 1.574 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086017 /nfs/dbraw/zinc/08/60/17/223086017.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086021 /nfs/dbraw/zinc/08/60/21/223086021.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086022 /nfs/dbraw/zinc/08/60/22/223086022.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086027 /nfs/dbraw/zinc/08/60/27/223086027.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086029 /nfs/dbraw/zinc/08/60/29/223086029.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330197346 223086033 /nfs/dbraw/zinc/08/60/33/223086033.db2.gz RRTSELLXTBDOKJ-BZPMIXESSA-N 2 2 303.410 1.184 20 30 DDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000619516669 364046877 /nfs/dbraw/zinc/04/68/77/364046877.db2.gz KLANXMCCDUFBBH-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000266117306 205111374 /nfs/dbraw/zinc/11/13/74/205111374.db2.gz IFCUHKKRGSSRPX-CYBMUJFWSA-N 2 2 300.406 1.959 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000567709216 304236083 /nfs/dbraw/zinc/23/60/83/304236083.db2.gz MVLNEHRTDKQPTJ-KBPBESRZSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000567709216 304236085 /nfs/dbraw/zinc/23/60/85/304236085.db2.gz MVLNEHRTDKQPTJ-KBPBESRZSA-N 2 2 312.373 1.168 20 30 DDEDLP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001120496569 781985819 /nfs/dbraw/zinc/98/58/19/781985819.db2.gz DYWIBEJBCALUDB-IRXDYDNUSA-N 2 2 321.852 1.212 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866556 285395484 /nfs/dbraw/zinc/39/54/84/285395484.db2.gz OKCXIRIUJGLNOM-ZOBUZTSGSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866556 285395485 /nfs/dbraw/zinc/39/54/85/285395485.db2.gz OKCXIRIUJGLNOM-ZOBUZTSGSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866556 285395486 /nfs/dbraw/zinc/39/54/86/285395486.db2.gz OKCXIRIUJGLNOM-ZOBUZTSGSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866556 285395488 /nfs/dbraw/zinc/39/54/88/285395488.db2.gz OKCXIRIUJGLNOM-ZOBUZTSGSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866555 285396272 /nfs/dbraw/zinc/39/62/72/285396272.db2.gz OKCXIRIUJGLNOM-YQQAZPJKSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866555 285396273 /nfs/dbraw/zinc/39/62/73/285396273.db2.gz OKCXIRIUJGLNOM-YQQAZPJKSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866555 285396274 /nfs/dbraw/zinc/39/62/74/285396274.db2.gz OKCXIRIUJGLNOM-YQQAZPJKSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1C ZINC000330866555 285396276 /nfs/dbraw/zinc/39/62/76/285396276.db2.gz OKCXIRIUJGLNOM-YQQAZPJKSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCN(C)CC1 ZINC000170910336 407549837 /nfs/dbraw/zinc/54/98/37/407549837.db2.gz QLOQBMOXBQAZNW-AWEZNQCLSA-N 2 2 304.442 1.080 20 30 DDEDLP COc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000262560848 407865793 /nfs/dbraw/zinc/86/57/93/407865793.db2.gz VKRGUYAKNOHTBL-MRXNPFEDSA-N 2 2 300.406 1.046 20 30 DDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000181245380 407970577 /nfs/dbraw/zinc/97/05/77/407970577.db2.gz DHENKXWNAXMDFD-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000181245380 407970583 /nfs/dbraw/zinc/97/05/83/407970583.db2.gz DHENKXWNAXMDFD-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C=CCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000119240235 408021787 /nfs/dbraw/zinc/02/17/87/408021787.db2.gz OESZEIMYZCASAT-UHFFFAOYSA-N 2 2 308.470 1.764 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000290798976 408834555 /nfs/dbraw/zinc/83/45/55/408834555.db2.gz PJMOEEXVIZFVQU-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP COc1ccncc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000288451582 409169254 /nfs/dbraw/zinc/16/92/54/409169254.db2.gz FSEGIYXCTZSWIR-UHFFFAOYSA-N 2 2 314.389 1.989 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280521684 409340956 /nfs/dbraw/zinc/34/09/56/409340956.db2.gz BBXXMMHUXQBSPE-UHFFFAOYSA-N 2 2 318.421 1.558 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280521684 409340958 /nfs/dbraw/zinc/34/09/58/409340958.db2.gz BBXXMMHUXQBSPE-UHFFFAOYSA-N 2 2 318.421 1.558 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227157 409734639 /nfs/dbraw/zinc/73/46/39/409734639.db2.gz ZLEGWPXUIXSGKS-HOTGVXAUSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227157 409734647 /nfs/dbraw/zinc/73/46/47/409734647.db2.gz ZLEGWPXUIXSGKS-HOTGVXAUSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227157 409734654 /nfs/dbraw/zinc/73/46/54/409734654.db2.gz ZLEGWPXUIXSGKS-HOTGVXAUSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227157 409734663 /nfs/dbraw/zinc/73/46/63/409734663.db2.gz ZLEGWPXUIXSGKS-HOTGVXAUSA-N 2 2 319.453 1.447 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000328885735 410002423 /nfs/dbraw/zinc/00/24/23/410002423.db2.gz ZHUJMMABILDYOZ-MGPQQGTHSA-N 2 2 305.426 1.606 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000328885735 410002427 /nfs/dbraw/zinc/00/24/27/410002427.db2.gz ZHUJMMABILDYOZ-MGPQQGTHSA-N 2 2 305.426 1.606 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000332708610 410228810 /nfs/dbraw/zinc/22/88/10/410228810.db2.gz OOEGNDCBDFLAPZ-SOLBZPMBSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000332708610 410228817 /nfs/dbraw/zinc/22/88/17/410228817.db2.gz OOEGNDCBDFLAPZ-SOLBZPMBSA-N 2 2 320.481 1.847 20 30 DDEDLP N#Cc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129166595 196025892 /nfs/dbraw/zinc/02/58/92/196025892.db2.gz MLEINGFLILAXSV-INIZCTEOSA-N 2 2 315.417 1.591 20 30 DDEDLP N#Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129166595 196025895 /nfs/dbraw/zinc/02/58/95/196025895.db2.gz MLEINGFLILAXSV-INIZCTEOSA-N 2 2 315.417 1.591 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000374018105 418483449 /nfs/dbraw/zinc/48/34/49/418483449.db2.gz NROUOBUYUQLASW-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP Cc1ccnc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366775890 418516555 /nfs/dbraw/zinc/51/65/55/418516555.db2.gz IPRVBNLANBYODW-INIZCTEOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccnc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366775890 418516557 /nfs/dbraw/zinc/51/65/57/418516557.db2.gz IPRVBNLANBYODW-INIZCTEOSA-N 2 2 313.449 1.866 20 30 DDEDLP C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850734 418525966 /nfs/dbraw/zinc/52/59/66/418525966.db2.gz ADYOWUNRBLCIFG-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850734 418525970 /nfs/dbraw/zinc/52/59/70/418525970.db2.gz ADYOWUNRBLCIFG-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367102237 418559891 /nfs/dbraw/zinc/55/98/91/418559891.db2.gz GOUQFCOUUDMOPC-HNNXBMFYSA-N 2 2 314.433 1.116 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367102237 418559892 /nfs/dbraw/zinc/55/98/92/418559892.db2.gz GOUQFCOUUDMOPC-HNNXBMFYSA-N 2 2 314.433 1.116 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367409227 418598653 /nfs/dbraw/zinc/59/86/53/418598653.db2.gz DHHYERVHLOWCEC-UHFFFAOYSA-N 2 2 317.437 1.669 20 30 DDEDLP CC[C@]1(C)CCN(C(NCC[N@@H+]2CCOCC2(C)C)=[NH+]C)C1 ZINC000261822238 222258872 /nfs/dbraw/zinc/25/88/72/222258872.db2.gz UPDXVZQONOCGAG-QGZVFWFLSA-N 2 2 310.486 1.795 20 30 DDEDLP CC[C@]1(C)CCN(C(NCC[N@H+]2CCOCC2(C)C)=[NH+]C)C1 ZINC000261822238 222258875 /nfs/dbraw/zinc/25/88/75/222258875.db2.gz UPDXVZQONOCGAG-QGZVFWFLSA-N 2 2 310.486 1.795 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265235166 222352020 /nfs/dbraw/zinc/35/20/20/222352020.db2.gz RQRPAFCYXZINHQ-UHFFFAOYSA-N 2 2 317.433 1.868 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265235166 222352024 /nfs/dbraw/zinc/35/20/24/222352024.db2.gz RQRPAFCYXZINHQ-UHFFFAOYSA-N 2 2 317.433 1.868 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266696973 222362711 /nfs/dbraw/zinc/36/27/11/222362711.db2.gz BRFLHBIABBVLBI-CYBMUJFWSA-N 2 2 303.410 1.597 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808917 418688687 /nfs/dbraw/zinc/68/86/87/418688687.db2.gz DPAUMBWDELBMNX-HUUCEWRRSA-N 2 2 302.422 1.781 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808917 418688689 /nfs/dbraw/zinc/68/86/89/418688689.db2.gz DPAUMBWDELBMNX-HUUCEWRRSA-N 2 2 302.422 1.781 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000376190134 418694461 /nfs/dbraw/zinc/69/44/61/418694461.db2.gz UYSSVKFJOOKBKK-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370695615 418747315 /nfs/dbraw/zinc/74/73/15/418747315.db2.gz BUGNUULUXULPBG-OAHLLOKOSA-N 2 2 306.454 1.745 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370695615 418747318 /nfs/dbraw/zinc/74/73/18/418747318.db2.gz BUGNUULUXULPBG-OAHLLOKOSA-N 2 2 306.454 1.745 20 30 DDEDLP COC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000371335326 418780164 /nfs/dbraw/zinc/78/01/64/418780164.db2.gz JPDLQJWVOADRGP-HNNXBMFYSA-N 2 2 324.384 1.981 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299642371 229293217 /nfs/dbraw/zinc/29/32/17/229293217.db2.gz WGNYOTXUARRWHX-UHFFFAOYSA-N 2 2 309.417 2.000 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299642371 229293222 /nfs/dbraw/zinc/29/32/22/229293222.db2.gz WGNYOTXUARRWHX-UHFFFAOYSA-N 2 2 309.417 2.000 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000449397088 421007161 /nfs/dbraw/zinc/00/71/61/421007161.db2.gz NZUDFTXUULEIQW-INIZCTEOSA-N 2 2 303.406 1.503 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000449397088 421007165 /nfs/dbraw/zinc/00/71/65/421007165.db2.gz NZUDFTXUULEIQW-INIZCTEOSA-N 2 2 303.406 1.503 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000377672949 267231289 /nfs/dbraw/zinc/23/12/89/267231289.db2.gz HZTCQMRIDKQNFY-HNNXBMFYSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000377672949 267231293 /nfs/dbraw/zinc/23/12/93/267231293.db2.gz HZTCQMRIDKQNFY-HNNXBMFYSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377672949 267231295 /nfs/dbraw/zinc/23/12/95/267231295.db2.gz HZTCQMRIDKQNFY-HNNXBMFYSA-N 2 2 315.465 1.497 20 30 DDEDLP C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377672949 267231299 /nfs/dbraw/zinc/23/12/99/267231299.db2.gz HZTCQMRIDKQNFY-HNNXBMFYSA-N 2 2 315.465 1.497 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1cccn1C ZINC000262017215 276841748 /nfs/dbraw/zinc/84/17/48/276841748.db2.gz XZJPPLZIKBRTES-UHFFFAOYSA-N 2 2 309.483 1.081 20 30 DDEDLP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](C#N)CCC#N)ccn2)CC1 ZINC000558506921 331915012 /nfs/dbraw/zinc/91/50/12/331915012.db2.gz XPRXZXSSEZCTJD-MRXNPFEDSA-N 2 2 312.421 1.367 20 30 DDEDLP C=CCOCCC[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000656708582 484288664 /nfs/dbraw/zinc/28/86/64/484288664.db2.gz HDMUHGKFLHKEPD-SFHVURJKSA-N 2 2 304.434 1.588 20 30 DDEDLP C=CCOCCC[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000656708582 484288667 /nfs/dbraw/zinc/28/86/67/484288667.db2.gz HDMUHGKFLHKEPD-SFHVURJKSA-N 2 2 304.434 1.588 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000330873244 533893733 /nfs/dbraw/zinc/89/37/33/533893733.db2.gz HPDNIDYEYXTMAB-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000330873244 533893743 /nfs/dbraw/zinc/89/37/43/533893743.db2.gz HPDNIDYEYXTMAB-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873244 533893749 /nfs/dbraw/zinc/89/37/49/533893749.db2.gz HPDNIDYEYXTMAB-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873244 533893757 /nfs/dbraw/zinc/89/37/57/533893757.db2.gz HPDNIDYEYXTMAB-RHSMWYFYSA-N 2 2 314.433 1.589 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000491628812 526920163 /nfs/dbraw/zinc/92/01/63/526920163.db2.gz LENMKZDLTIHLIW-SFHVURJKSA-N 2 2 311.429 1.505 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980223761 696712214 /nfs/dbraw/zinc/71/22/14/696712214.db2.gz XLLBOHHYNRVRMV-SOUVJXGZSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980223761 696712216 /nfs/dbraw/zinc/71/22/16/696712216.db2.gz XLLBOHHYNRVRMV-SOUVJXGZSA-N 2 2 302.422 1.365 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975045239 695784277 /nfs/dbraw/zinc/78/42/77/695784277.db2.gz IMIFQZUZGUMPBB-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975045239 695784278 /nfs/dbraw/zinc/78/42/78/695784278.db2.gz IMIFQZUZGUMPBB-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978357328 696369963 /nfs/dbraw/zinc/36/99/63/696369963.db2.gz GNPZMSKUQOUTKW-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978357328 696369966 /nfs/dbraw/zinc/36/99/66/696369966.db2.gz GNPZMSKUQOUTKW-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978694742 696441224 /nfs/dbraw/zinc/44/12/24/696441224.db2.gz AORRXQKMVZDGNR-ZQDZILKHSA-N 2 2 312.417 1.147 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978694742 696441226 /nfs/dbraw/zinc/44/12/26/696441226.db2.gz AORRXQKMVZDGNR-ZQDZILKHSA-N 2 2 312.417 1.147 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981599772 696836276 /nfs/dbraw/zinc/83/62/76/696836276.db2.gz FEJCQUDKCWKEHK-UHFFFAOYSA-N 2 2 311.389 1.601 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981599772 696836278 /nfs/dbraw/zinc/83/62/78/696836278.db2.gz FEJCQUDKCWKEHK-UHFFFAOYSA-N 2 2 311.389 1.601 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981167594 697024382 /nfs/dbraw/zinc/02/43/82/697024382.db2.gz QXBKSQBPYUIYFW-GJZGRUSLSA-N 2 2 302.422 1.577 20 30 DDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccco1 ZINC000195522731 697746243 /nfs/dbraw/zinc/74/62/43/697746243.db2.gz WLSZPLKFZZQFGU-KBPBESRZSA-N 2 2 308.426 1.746 20 30 DDEDLP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958975 698447224 /nfs/dbraw/zinc/44/72/24/698447224.db2.gz JPCJDKBDYCOVNH-UONOGXRCSA-N 2 2 305.426 1.256 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCc2ccccc21 ZINC000262351426 698465518 /nfs/dbraw/zinc/46/55/18/698465518.db2.gz FHANNLHURAKBQW-UHFFFAOYSA-N 2 2 304.463 1.673 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000303888148 698608921 /nfs/dbraw/zinc/60/89/21/698608921.db2.gz OSHMSHAVJFNADR-NEPJUHHUSA-N 2 2 310.467 1.434 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000303888148 698608924 /nfs/dbraw/zinc/60/89/24/698608924.db2.gz OSHMSHAVJFNADR-NEPJUHHUSA-N 2 2 310.467 1.434 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673418 698720069 /nfs/dbraw/zinc/72/00/69/698720069.db2.gz VYMLIGWJFKGXSJ-KBPBESRZSA-N 2 2 309.373 1.093 20 30 DDEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CN1CC[NH+](C)CC1 ZINC000866260580 706660460 /nfs/dbraw/zinc/66/04/60/706660460.db2.gz VPJHJPWKVBESKK-CABCVRRESA-N 2 2 316.449 1.798 20 30 DDEDLP C[N@H+](CC(F)F)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852870455 704155619 /nfs/dbraw/zinc/15/56/19/704155619.db2.gz UAFLZSNWAKVWSA-UHFFFAOYSA-N 2 2 313.392 1.177 20 30 DDEDLP C[N@@H+](CC(F)F)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852870455 704155621 /nfs/dbraw/zinc/15/56/21/704155621.db2.gz UAFLZSNWAKVWSA-UHFFFAOYSA-N 2 2 313.392 1.177 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820654332 704315415 /nfs/dbraw/zinc/31/54/15/704315415.db2.gz JMOMBDIHHGSHNN-NVXWUHKLSA-N 2 2 320.481 1.598 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820654332 704315418 /nfs/dbraw/zinc/31/54/18/704315418.db2.gz JMOMBDIHHGSHNN-NVXWUHKLSA-N 2 2 320.481 1.598 20 30 DDEDLP Cc1nccnc1[C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c1nccnc1C ZINC000880109235 706880173 /nfs/dbraw/zinc/88/01/73/706880173.db2.gz UFYAKEJDKSXUAH-ZIAGYGMSSA-N 2 2 324.432 1.888 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260257 706924080 /nfs/dbraw/zinc/92/40/80/706924080.db2.gz AADYSERLXSNXSG-GJZGRUSLSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260257 706924083 /nfs/dbraw/zinc/92/40/83/706924083.db2.gz AADYSERLXSNXSG-GJZGRUSLSA-N 2 2 315.421 1.353 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000838623170 707955320 /nfs/dbraw/zinc/95/53/20/707955320.db2.gz SDMSRSQNZIKIBS-OAHLLOKOSA-N 2 2 303.410 1.185 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000838623170 707955322 /nfs/dbraw/zinc/95/53/22/707955322.db2.gz SDMSRSQNZIKIBS-OAHLLOKOSA-N 2 2 303.410 1.185 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900600007 709671093 /nfs/dbraw/zinc/67/10/93/709671093.db2.gz UOMXXQBURNUUSJ-FYWRMAATSA-N 2 2 307.438 1.032 20 30 DDEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902775746 710897881 /nfs/dbraw/zinc/89/78/81/710897881.db2.gz ARQHVQFSLKCKNV-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC000894639611 711226448 /nfs/dbraw/zinc/22/64/48/711226448.db2.gz PNLONLZPSKHNSG-UHFFFAOYSA-N 2 2 303.406 1.723 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC000894639611 711226452 /nfs/dbraw/zinc/22/64/52/711226452.db2.gz PNLONLZPSKHNSG-UHFFFAOYSA-N 2 2 303.406 1.723 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824201 711291928 /nfs/dbraw/zinc/29/19/28/711291928.db2.gz NCZMYQFAZOTFDX-DLBZAZTESA-N 2 2 313.401 1.453 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824201 711291933 /nfs/dbraw/zinc/29/19/33/711291933.db2.gz NCZMYQFAZOTFDX-DLBZAZTESA-N 2 2 313.401 1.453 20 30 DDEDLP C#CCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000918907344 713573712 /nfs/dbraw/zinc/57/37/12/713573712.db2.gz XIZKJMBADVARAD-HNNXBMFYSA-N 2 2 318.465 1.400 20 30 DDEDLP C#CCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000918907344 713573713 /nfs/dbraw/zinc/57/37/13/713573713.db2.gz XIZKJMBADVARAD-HNNXBMFYSA-N 2 2 318.465 1.400 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+])c(OC)c1 ZINC000923289072 714298592 /nfs/dbraw/zinc/29/85/92/714298592.db2.gz FFBKMYHUAYBIOP-ZFWWWQNUSA-N 2 2 308.422 1.442 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+])c(OC)c1 ZINC000923289072 714298594 /nfs/dbraw/zinc/29/85/94/714298594.db2.gz FFBKMYHUAYBIOP-ZFWWWQNUSA-N 2 2 308.422 1.442 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000923554916 714399457 /nfs/dbraw/zinc/39/94/57/714399457.db2.gz SCXKMXVVRMQKFL-HUUCEWRRSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000923554916 714399459 /nfs/dbraw/zinc/39/94/59/714399459.db2.gz SCXKMXVVRMQKFL-HUUCEWRRSA-N 2 2 302.422 1.610 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960513073 716593348 /nfs/dbraw/zinc/59/33/48/716593348.db2.gz CJDMXCDKIXEKOI-FICVDOATSA-N 2 2 302.422 1.549 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960513073 716593351 /nfs/dbraw/zinc/59/33/51/716593351.db2.gz CJDMXCDKIXEKOI-FICVDOATSA-N 2 2 302.422 1.549 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267105 716888753 /nfs/dbraw/zinc/88/87/53/716888753.db2.gz XLHGGUMUVYELPH-GJZGRUSLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267105 716888758 /nfs/dbraw/zinc/88/87/58/716888758.db2.gz XLHGGUMUVYELPH-GJZGRUSLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180229 717529764 /nfs/dbraw/zinc/52/97/64/717529764.db2.gz FNGWSSJLRVLYSG-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180229 717529766 /nfs/dbraw/zinc/52/97/66/717529766.db2.gz FNGWSSJLRVLYSG-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373464 717765877 /nfs/dbraw/zinc/76/58/77/717765877.db2.gz HLILKTLVOFXWMO-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373464 717765880 /nfs/dbraw/zinc/76/58/80/717765880.db2.gz HLILKTLVOFXWMO-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948745173 719683206 /nfs/dbraw/zinc/68/32/06/719683206.db2.gz ATDGWGUKMSPTDM-QGZVFWFLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948745173 719683208 /nfs/dbraw/zinc/68/32/08/719683208.db2.gz ATDGWGUKMSPTDM-QGZVFWFLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000968752415 719771326 /nfs/dbraw/zinc/77/13/26/719771326.db2.gz NBOVZPGVBXNYMM-CYBMUJFWSA-N 2 2 322.840 1.705 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC#C ZINC000968896640 719850587 /nfs/dbraw/zinc/85/05/87/719850587.db2.gz WXLWZWJCWFRRGZ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC#C ZINC000968896640 719850592 /nfs/dbraw/zinc/85/05/92/719850592.db2.gz WXLWZWJCWFRRGZ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC#C ZINC000968896640 719850598 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309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981632 751631912 /nfs/dbraw/zinc/63/19/12/751631912.db2.gz BNNBHDUSWKOZAC-DOTOQJQBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981632 751631918 /nfs/dbraw/zinc/63/19/18/751631918.db2.gz BNNBHDUSWKOZAC-DOTOQJQBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088337571 741410249 /nfs/dbraw/zinc/41/02/49/741410249.db2.gz IXBJIEMXQRUWPP-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107982595 751665420 /nfs/dbraw/zinc/66/54/20/751665420.db2.gz WJYXJOXCOOHAFW-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107982595 751665422 /nfs/dbraw/zinc/66/54/22/751665422.db2.gz WJYXJOXCOOHAFW-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982595 751665424 /nfs/dbraw/zinc/66/54/24/751665424.db2.gz WJYXJOXCOOHAFW-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982595 751665426 /nfs/dbraw/zinc/66/54/26/751665426.db2.gz WJYXJOXCOOHAFW-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679333 742072139 /nfs/dbraw/zinc/07/21/39/742072139.db2.gz MMDAUJHQTHUIKP-ILXRZTDVSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679333 742072143 /nfs/dbraw/zinc/07/21/43/742072143.db2.gz MMDAUJHQTHUIKP-ILXRZTDVSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630005 751733290 /nfs/dbraw/zinc/73/32/90/751733290.db2.gz SPZYAVRXSNOCIF-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630005 751733297 /nfs/dbraw/zinc/73/32/97/751733297.db2.gz SPZYAVRXSNOCIF-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001184577008 744064290 /nfs/dbraw/zinc/06/42/90/744064290.db2.gz TXIAXRIGNVDKAJ-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001184577008 744064294 /nfs/dbraw/zinc/06/42/94/744064294.db2.gz TXIAXRIGNVDKAJ-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185786809 744285505 /nfs/dbraw/zinc/28/55/05/744285505.db2.gz BGVULQFVTXUEGW-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035851387 751922155 /nfs/dbraw/zinc/92/21/55/751922155.db2.gz FFGXWIKLSGOGNK-CQSZACIVSA-N 2 2 311.857 1.615 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851387 751922159 /nfs/dbraw/zinc/92/21/59/751922159.db2.gz FFGXWIKLSGOGNK-CQSZACIVSA-N 2 2 311.857 1.615 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844972 751940816 /nfs/dbraw/zinc/94/08/16/751940816.db2.gz WSOXPGQXKJKPSN-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992423526 744869510 /nfs/dbraw/zinc/86/95/10/744869510.db2.gz FODUVPYCEBOKNR-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992423526 744869512 /nfs/dbraw/zinc/86/95/12/744869512.db2.gz FODUVPYCEBOKNR-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879048 745364540 /nfs/dbraw/zinc/36/45/40/745364540.db2.gz NPIIFZUMARPILV-HNNXBMFYSA-N 2 2 301.390 1.189 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001190879048 745364546 /nfs/dbraw/zinc/36/45/46/745364546.db2.gz NPIIFZUMARPILV-HNNXBMFYSA-N 2 2 301.390 1.189 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009702 745403000 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DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993512775 746208557 /nfs/dbraw/zinc/20/85/57/746208557.db2.gz FILAYISCEYWQPY-HIFRSBDPSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993512775 746208561 /nfs/dbraw/zinc/20/85/61/746208561.db2.gz FILAYISCEYWQPY-HIFRSBDPSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622108 746237401 /nfs/dbraw/zinc/23/74/01/746237401.db2.gz NQCJKFILEXYWND-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622108 746237405 /nfs/dbraw/zinc/23/74/05/746237405.db2.gz NQCJKFILEXYWND-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622121 746238344 /nfs/dbraw/zinc/23/83/44/746238344.db2.gz NQCJKFILEXYWND-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622121 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C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935799 766721761 /nfs/dbraw/zinc/72/17/61/766721761.db2.gz SWSSFBGWNKRXOY-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935799 766721767 /nfs/dbraw/zinc/72/17/67/766721767.db2.gz SWSSFBGWNKRXOY-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315121 767412161 /nfs/dbraw/zinc/41/21/61/767412161.db2.gz SHJQYZVDBCNXPN-GOSISDBHSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315121 767412165 /nfs/dbraw/zinc/41/21/65/767412165.db2.gz SHJQYZVDBCNXPN-GOSISDBHSA-N 2 2 310.401 1.860 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976329 768521462 /nfs/dbraw/zinc/52/14/62/768521462.db2.gz LVCODIRZMWNDGV-UHFFFAOYSA-N 2 2 304.781 1.944 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132194889 768664850 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/nfs/dbraw/zinc/92/97/58/773929758.db2.gz GJHBYJSSBFYNGN-JZXOWHBKSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056490 773929760 /nfs/dbraw/zinc/92/97/60/773929760.db2.gz GJHBYJSSBFYNGN-JZXOWHBKSA-N 2 2 314.433 1.638 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734873 774428247 /nfs/dbraw/zinc/42/82/47/774428247.db2.gz ZMCBNXCPGNYXER-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734873 774428249 /nfs/dbraw/zinc/42/82/49/774428249.db2.gz ZMCBNXCPGNYXER-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734873 774428251 /nfs/dbraw/zinc/42/82/51/774428251.db2.gz ZMCBNXCPGNYXER-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734873 774428254 /nfs/dbraw/zinc/42/82/54/774428254.db2.gz ZMCBNXCPGNYXER-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911913 774717057 /nfs/dbraw/zinc/71/70/57/774717057.db2.gz YHFIKZOUDBTCIW-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911913 774717061 /nfs/dbraw/zinc/71/70/61/774717061.db2.gz YHFIKZOUDBTCIW-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899971 775400551 /nfs/dbraw/zinc/40/05/51/775400551.db2.gz ZFSVQTNFALEVGH-QWHCGFSZSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899971 775400537 /nfs/dbraw/zinc/40/05/37/775400537.db2.gz ZFSVQTNFALEVGH-QWHCGFSZSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899971 775400545 /nfs/dbraw/zinc/40/05/45/775400545.db2.gz ZFSVQTNFALEVGH-QWHCGFSZSA-N 2 2 317.861 1.021 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899971 775400563 /nfs/dbraw/zinc/40/05/63/775400563.db2.gz ZFSVQTNFALEVGH-QWHCGFSZSA-N 2 2 317.861 1.021 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001100456983 776181345 /nfs/dbraw/zinc/18/13/45/776181345.db2.gz LXYDQOVGHRIXRI-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001100722678 776473083 /nfs/dbraw/zinc/47/30/83/776473083.db2.gz UQRXEHWNXSPVFN-UHFFFAOYSA-N 2 2 321.465 1.302 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001095047270 777032736 /nfs/dbraw/zinc/03/27/36/777032736.db2.gz LRQGHZHPXIZUMJ-DZKIICNBSA-N 2 2 302.422 1.508 20 30 DDEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431145 778605576 /nfs/dbraw/zinc/60/55/76/778605576.db2.gz MAGXBBURWAZYNF-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178853655 779200619 /nfs/dbraw/zinc/20/06/19/779200619.db2.gz MXWHNKYWAGPUCS-MRXNPFEDSA-N 2 2 316.449 1.735 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267142189 837409997 /nfs/dbraw/zinc/40/99/97/837409997.db2.gz QPVMEQMDEOGNRK-WBVHZDCISA-N 2 2 321.465 1.138 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267142189 837410003 /nfs/dbraw/zinc/41/00/03/837410003.db2.gz QPVMEQMDEOGNRK-WBVHZDCISA-N 2 2 321.465 1.138 20 30 DDEDLP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266411136 836221475 /nfs/dbraw/zinc/22/14/75/836221475.db2.gz NSNQFZWRENNYOM-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266411136 836221483 /nfs/dbraw/zinc/22/14/83/836221483.db2.gz NSNQFZWRENNYOM-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266411136 836221494 /nfs/dbraw/zinc/22/14/94/836221494.db2.gz NSNQFZWRENNYOM-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266411136 836221501 /nfs/dbraw/zinc/22/15/01/836221501.db2.gz NSNQFZWRENNYOM-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266945841 837095166 /nfs/dbraw/zinc/09/51/66/837095166.db2.gz BCGGLMUCTLHRKZ-HZPDHXFCSA-N 2 2 320.437 1.214 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268082384 839661519 /nfs/dbraw/zinc/66/15/19/839661519.db2.gz WDYSWUDYBZPRLT-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268082384 839661527 /nfs/dbraw/zinc/66/15/27/839661527.db2.gz WDYSWUDYBZPRLT-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251524 841423840 /nfs/dbraw/zinc/42/38/40/841423840.db2.gz PWHMUMXBMSYBGS-AWEZNQCLSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251524 841423845 /nfs/dbraw/zinc/42/38/45/841423845.db2.gz PWHMUMXBMSYBGS-AWEZNQCLSA-N 2 2 320.437 1.849 20 30 DDEDLP C#CC[NH2+]C[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001269626306 841870513 /nfs/dbraw/zinc/87/05/13/841870513.db2.gz OBOMGZROMFHVDN-LJQANCHMSA-N 2 2 322.412 1.994 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001270658571 842784360 /nfs/dbraw/zinc/78/43/60/842784360.db2.gz QGFAOKNVOFVKKB-INIZCTEOSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001270658571 842784362 /nfs/dbraw/zinc/78/43/62/842784362.db2.gz QGFAOKNVOFVKKB-INIZCTEOSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001270658571 842784366 /nfs/dbraw/zinc/78/43/66/842784366.db2.gz QGFAOKNVOFVKKB-INIZCTEOSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001270658571 842784367 /nfs/dbraw/zinc/78/43/67/842784367.db2.gz QGFAOKNVOFVKKB-INIZCTEOSA-N 2 2 323.481 1.642 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744858 842867559 /nfs/dbraw/zinc/86/75/59/842867559.db2.gz PQQKDLMFMXPRKI-MAUKXSAKSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001326655682 861514498 /nfs/dbraw/zinc/51/44/98/861514498.db2.gz PEBOVJIZIOWCAO-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326655682 861514513 /nfs/dbraw/zinc/51/45/13/861514513.db2.gz PEBOVJIZIOWCAO-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001326655682 861514523 /nfs/dbraw/zinc/51/45/23/861514523.db2.gz PEBOVJIZIOWCAO-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034249011 848156576 /nfs/dbraw/zinc/15/65/76/848156576.db2.gz GPAMRICSYWRTNO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034249011 848156577 /nfs/dbraw/zinc/15/65/77/848156577.db2.gz GPAMRICSYWRTNO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034249011 848156581 /nfs/dbraw/zinc/15/65/81/848156581.db2.gz GPAMRICSYWRTNO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034249011 848156593 /nfs/dbraw/zinc/15/65/93/848156593.db2.gz GPAMRICSYWRTNO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054740 862053903 /nfs/dbraw/zinc/05/39/03/862053903.db2.gz YMVKGMJPTUSIAW-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054740 862053924 /nfs/dbraw/zinc/05/39/24/862053924.db2.gz YMVKGMJPTUSIAW-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001411250542 850482572 /nfs/dbraw/zinc/48/25/72/850482572.db2.gz ZUKLBNAAAPOHJI-PWQPVHBWSA-N 2 2 310.829 1.920 20 30 DDEDLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCCC#N)C2=O)C1 ZINC001273712656 851254162 /nfs/dbraw/zinc/25/41/62/851254162.db2.gz ZSQDDRCQOYCCKM-KRWDZBQOSA-N 2 2 320.437 1.083 20 30 DDEDLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(CCCC#N)C2=O)C1 ZINC001273712656 851254174 /nfs/dbraw/zinc/25/41/74/851254174.db2.gz ZSQDDRCQOYCCKM-KRWDZBQOSA-N 2 2 320.437 1.083 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001327639154 862340500 /nfs/dbraw/zinc/34/05/00/862340500.db2.gz OSKGJOFERXSKNN-UHFFFAOYSA-N 2 2 306.410 1.173 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001327639154 862340515 /nfs/dbraw/zinc/34/05/15/862340515.db2.gz OSKGJOFERXSKNN-UHFFFAOYSA-N 2 2 306.410 1.173 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596998 862344236 /nfs/dbraw/zinc/34/42/36/862344236.db2.gz RUTRWFOPKBIWIE-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596998 862344255 /nfs/dbraw/zinc/34/42/55/862344255.db2.gz RUTRWFOPKBIWIE-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001275598310 853418528 /nfs/dbraw/zinc/41/85/28/853418528.db2.gz XUIDMCAOCNMAPB-ROUUACIJSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001275598310 853418531 /nfs/dbraw/zinc/41/85/31/853418531.db2.gz XUIDMCAOCNMAPB-ROUUACIJSA-N 2 2 316.424 1.908 20 30 DDEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001327994817 862619813 /nfs/dbraw/zinc/61/98/13/862619813.db2.gz CIMKKYQTLDZRBH-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553168 856967225 /nfs/dbraw/zinc/96/72/25/856967225.db2.gz SJMUPWITMDDXND-DLBZAZTESA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553168 856967235 /nfs/dbraw/zinc/96/72/35/856967235.db2.gz SJMUPWITMDDXND-DLBZAZTESA-N 2 2 308.385 1.875 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803667 857723921 /nfs/dbraw/zinc/72/39/21/857723921.db2.gz DEMUNQGPPLLCLW-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803667 857723927 /nfs/dbraw/zinc/72/39/27/857723927.db2.gz DEMUNQGPPLLCLW-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803667 857723933 /nfs/dbraw/zinc/72/39/33/857723933.db2.gz DEMUNQGPPLLCLW-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803667 857723938 /nfs/dbraw/zinc/72/39/38/857723938.db2.gz DEMUNQGPPLLCLW-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127574 858122897 /nfs/dbraw/zinc/12/28/97/858122897.db2.gz GGGWMJRGPMVBGH-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127574 858122898 /nfs/dbraw/zinc/12/28/98/858122898.db2.gz GGGWMJRGPMVBGH-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955035 863973064 /nfs/dbraw/zinc/97/30/64/863973064.db2.gz YBIZWNZBWKJIJM-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001329955035 863973071 /nfs/dbraw/zinc/97/30/71/863973071.db2.gz YBIZWNZBWKJIJM-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001381448831 881807663 /nfs/dbraw/zinc/80/76/63/881807663.db2.gz ODDGRHWABHAQIK-UONOGXRCSA-N 2 2 311.389 1.438 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001225591328 881925603 /nfs/dbraw/zinc/92/56/03/881925603.db2.gz QQROLYKVLGEMRD-QGZVFWFLSA-N 2 2 314.433 1.146 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319790249 866295002 /nfs/dbraw/zinc/29/50/02/866295002.db2.gz IDQACNJQMYTWAQ-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806327 866303058 /nfs/dbraw/zinc/30/30/58/866303058.db2.gz FIAJVAKGJOXYCP-HZPDHXFCSA-N 2 2 316.449 1.777 20 30 DDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])cc1C#N ZINC001163126427 868131364 /nfs/dbraw/zinc/13/13/64/868131364.db2.gz RMGFLEQTUWKTDR-UHFFFAOYSA-N 2 2 305.342 1.140 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001325594673 868164649 /nfs/dbraw/zinc/16/46/49/868164649.db2.gz FYBJZKNBAVECLT-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP Cc1[nH+]c2c(n1-c1ncc(CC#N)cc1Cl)CC[NH2+]CC2 ZINC001165357448 869544480 /nfs/dbraw/zinc/54/44/80/869544480.db2.gz ZKFNGTMECRFZSQ-UHFFFAOYSA-N 2 2 301.781 1.983 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001277125349 882408820 /nfs/dbraw/zinc/40/88/20/882408820.db2.gz MXBVTHULUGUGHW-UHFFFAOYSA-N 2 2 308.385 1.748 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317375188 870732159 /nfs/dbraw/zinc/73/21/59/870732159.db2.gz IBUPTIJWOOPMJP-INIZCTEOSA-N 2 2 315.417 1.579 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317375188 870732164 /nfs/dbraw/zinc/73/21/64/870732164.db2.gz IBUPTIJWOOPMJP-INIZCTEOSA-N 2 2 315.417 1.579 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205552619 871624753 /nfs/dbraw/zinc/62/47/53/871624753.db2.gz JCTKDGWRILACOZ-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805582 871822184 /nfs/dbraw/zinc/82/21/84/871822184.db2.gz OZTOCVBFRRCUST-UHFFFAOYSA-N 2 2 310.829 1.854 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001318700433 872213716 /nfs/dbraw/zinc/21/37/16/872213716.db2.gz DCPSMHGTKPVTNF-GOSISDBHSA-N 2 2 315.417 1.531 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001318803354 872279933 /nfs/dbraw/zinc/27/99/33/872279933.db2.gz FYQLAGATINIKJZ-OAHLLOKOSA-N 2 2 315.417 1.484 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859191 877084533 /nfs/dbraw/zinc/08/45/33/877084533.db2.gz LXJBYSSYVSSSHJ-OIISXLGYSA-N 2 2 314.433 1.144 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220663158 879168376 /nfs/dbraw/zinc/16/83/76/879168376.db2.gz ABAMTRDDHLNVBB-ZDUSSCGKSA-N 2 2 303.406 1.510 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001223258383 880889921 /nfs/dbraw/zinc/88/99/21/880889921.db2.gz IRYOEEMRVOLSRQ-UHFFFAOYSA-N 2 2 314.433 1.223 20 30 DDEDLP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277411363 884114974 /nfs/dbraw/zinc/11/49/74/884114974.db2.gz LBYAAYCJOLLSCE-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277411363 884114980 /nfs/dbraw/zinc/11/49/80/884114980.db2.gz LBYAAYCJOLLSCE-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434560 884490692 /nfs/dbraw/zinc/49/06/92/884490692.db2.gz MRPQZIFUKQGRAV-UHFFFAOYSA-N 2 2 320.437 1.447 20 30 DDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001231619924 885763570 /nfs/dbraw/zinc/76/35/70/885763570.db2.gz MBYAXKWCODHTKI-UHFFFAOYSA-N 2 2 316.449 1.636 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001233368318 886951332 /nfs/dbraw/zinc/95/13/32/886951332.db2.gz JYUHYQDYAKIYHA-UHFFFAOYSA-N 2 2 304.438 1.775 20 30 DDEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277861456 888042014 /nfs/dbraw/zinc/04/20/14/888042014.db2.gz BYLHCYVMOHCNSV-CYBMUJFWSA-N 2 2 314.389 1.263 20 30 DDEDLP C=C[C@@](C)(O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246009328 892327724 /nfs/dbraw/zinc/32/77/24/892327724.db2.gz SQNRCACGFPUFGD-DOTOQJQBSA-N 2 2 306.406 1.364 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001366056538 892348087 /nfs/dbraw/zinc/34/80/87/892348087.db2.gz MSIPMHQFZXMBTK-CQSZACIVSA-N 2 2 310.829 1.590 20 30 DDEDLP CCCCCCCCOC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246307859 892529674 /nfs/dbraw/zinc/52/96/74/892529674.db2.gz HAXXQESJQAVAHV-OAHLLOKOSA-N 2 2 311.470 1.574 20 30 DDEDLP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246769555 892876603 /nfs/dbraw/zinc/87/66/03/892876603.db2.gz WVBOCSXOZHDNDJ-KJFZJZGVSA-N 2 2 316.449 1.805 20 30 DDEDLP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246769555 892876605 /nfs/dbraw/zinc/87/66/05/892876605.db2.gz WVBOCSXOZHDNDJ-KJFZJZGVSA-N 2 2 316.449 1.805 20 30 DDEDLP C=C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001253606527 895927182 /nfs/dbraw/zinc/92/71/82/895927182.db2.gz JBBOSSSBMXVOSA-KRWDZBQOSA-N 2 2 318.417 1.574 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001368104838 898707959 /nfs/dbraw/zinc/70/79/59/898707959.db2.gz XMMHDCUODFMJQK-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266146223 903022202 /nfs/dbraw/zinc/02/22/02/903022202.db2.gz KTWJXBPBTGISKV-CJNGLKHVSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266146223 903022218 /nfs/dbraw/zinc/02/22/18/903022218.db2.gz KTWJXBPBTGISKV-CJNGLKHVSA-N 2 2 317.437 1.298 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266222957 903141075 /nfs/dbraw/zinc/14/10/75/903141075.db2.gz HIVJTIQLKBPFRQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266222957 903141081 /nfs/dbraw/zinc/14/10/81/903141081.db2.gz HIVJTIQLKBPFRQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281030809 904334944 /nfs/dbraw/zinc/33/49/44/904334944.db2.gz ATVBKWPQKOUKTM-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281030809 904334948 /nfs/dbraw/zinc/33/49/48/904334948.db2.gz ATVBKWPQKOUKTM-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001284239986 908713389 /nfs/dbraw/zinc/71/33/89/908713389.db2.gz AMIIVIYGZCWGPC-LSDHHAIUSA-N 2 2 302.422 1.251 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001394299376 909278089 /nfs/dbraw/zinc/27/80/89/909278089.db2.gz HGJHCBOLRMZAMX-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001394299376 909278101 /nfs/dbraw/zinc/27/81/01/909278101.db2.gz HGJHCBOLRMZAMX-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001394299376 909278113 /nfs/dbraw/zinc/27/81/13/909278113.db2.gz HGJHCBOLRMZAMX-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001394299376 909278126 /nfs/dbraw/zinc/27/81/26/909278126.db2.gz HGJHCBOLRMZAMX-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001375758978 916885929 /nfs/dbraw/zinc/88/59/29/916885929.db2.gz FDIZUJZLIZKCPI-KBPBESRZSA-N 2 2 322.840 1.779 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001377567233 922355839 /nfs/dbraw/zinc/35/58/39/922355839.db2.gz PNMACVDNDQXWOY-ZDUSSCGKSA-N 2 2 317.861 1.022 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccccc1 ZINC000086972953 353745810 /nfs/dbraw/zinc/74/58/10/353745810.db2.gz KJYBKQIHWRACKZ-CYBMUJFWSA-N 2 2 314.437 1.912 20 30 DDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000578186753 354704709 /nfs/dbraw/zinc/70/47/09/354704709.db2.gz BAZNWNQCSYYAKF-QGZVFWFLSA-N 2 2 313.405 1.168 20 30 DDEDLP C[C@@H]1CCC[C@@](CNC[C@@H](O)C[N@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845970 354713352 /nfs/dbraw/zinc/71/33/52/354713352.db2.gz WWCGTRMAPUMPLW-BRWVUGGUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[C@@](CNC[C@@H](O)C[N@@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845970 354713354 /nfs/dbraw/zinc/71/33/54/354713354.db2.gz WWCGTRMAPUMPLW-BRWVUGGUSA-N 2 2 310.486 1.293 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000594437940 356214131 /nfs/dbraw/zinc/21/41/31/356214131.db2.gz XXHYONILWGCNTL-OAHLLOKOSA-N 2 2 311.389 1.900 20 30 DDEDLP Cc1[nH+]cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)n1C ZINC000594921369 356354848 /nfs/dbraw/zinc/35/48/48/356354848.db2.gz CBPKZVCARLLMIE-UHFFFAOYSA-N 2 2 310.405 1.754 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[N@@H+]1C1CC1 ZINC000600732177 358299997 /nfs/dbraw/zinc/29/99/97/358299997.db2.gz XVOFOXHJKGVXNX-IIAWOOMASA-N 2 2 307.438 1.273 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[N@H+]1C1CC1 ZINC000600732177 358299998 /nfs/dbraw/zinc/29/99/98/358299998.db2.gz XVOFOXHJKGVXNX-IIAWOOMASA-N 2 2 307.438 1.273 20 30 DDEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000635001206 422757632 /nfs/dbraw/zinc/75/76/32/422757632.db2.gz KGDDLPQWRGCFHZ-UHFFFAOYSA-N 2 2 320.433 1.806 20 30 DDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602334397 358935490 /nfs/dbraw/zinc/93/54/90/358935490.db2.gz RFWZNAJCPJDGRT-AEFFLSMTSA-N 2 2 314.433 1.469 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429598 359635368 /nfs/dbraw/zinc/63/53/68/359635368.db2.gz YWYAXFIPXYNSEY-IXDOHACOSA-N 2 2 306.454 1.065 20 30 DDEDLP C[C@@H]1CCCC[N@@H+]1CCNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177493 223083023 /nfs/dbraw/zinc/08/30/23/223083023.db2.gz KTFWWRBCMULYEF-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330177493 223083028 /nfs/dbraw/zinc/08/30/28/223083028.db2.gz KTFWWRBCMULYEF-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330177493 223083031 /nfs/dbraw/zinc/08/30/31/223083031.db2.gz KTFWWRBCMULYEF-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958906 209339458 /nfs/dbraw/zinc/33/94/58/209339458.db2.gz QPTRFMAWMCLHNZ-MLGOLLRUSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958906 209339462 /nfs/dbraw/zinc/33/94/62/209339462.db2.gz QPTRFMAWMCLHNZ-MLGOLLRUSA-N 2 2 318.396 1.688 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157873422 197222434 /nfs/dbraw/zinc/22/24/34/197222434.db2.gz IXKFBFPERUILFM-GOSISDBHSA-N 2 2 312.461 1.939 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157873422 197222436 /nfs/dbraw/zinc/22/24/36/197222436.db2.gz IXKFBFPERUILFM-GOSISDBHSA-N 2 2 312.461 1.939 20 30 DDEDLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000093168606 407194390 /nfs/dbraw/zinc/19/43/90/407194390.db2.gz HJAWLCJQGIONQS-UHFFFAOYSA-N 2 2 314.433 1.543 20 30 DDEDLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000093168606 407194392 /nfs/dbraw/zinc/19/43/92/407194392.db2.gz HJAWLCJQGIONQS-UHFFFAOYSA-N 2 2 314.433 1.543 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000104068678 407346503 /nfs/dbraw/zinc/34/65/03/407346503.db2.gz SFRUTAYPWFAPKL-QGZVFWFLSA-N 2 2 312.417 1.472 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000104068678 407346504 /nfs/dbraw/zinc/34/65/04/407346504.db2.gz SFRUTAYPWFAPKL-QGZVFWFLSA-N 2 2 312.417 1.472 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154581 407348555 /nfs/dbraw/zinc/34/85/55/407348555.db2.gz WNMHGVRVZWWVRV-OAHLLOKOSA-N 2 2 304.438 1.590 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154581 407348556 /nfs/dbraw/zinc/34/85/56/407348556.db2.gz WNMHGVRVZWWVRV-OAHLLOKOSA-N 2 2 304.438 1.590 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157499560 408305719 /nfs/dbraw/zinc/30/57/19/408305719.db2.gz FYXAYDCFXPLPRH-SJORKVTESA-N 2 2 320.481 1.945 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157499560 408305724 /nfs/dbraw/zinc/30/57/24/408305724.db2.gz FYXAYDCFXPLPRH-SJORKVTESA-N 2 2 320.481 1.945 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000264367761 408462582 /nfs/dbraw/zinc/46/25/82/408462582.db2.gz IGTGCUJSKDVQEF-AWEZNQCLSA-N 2 2 305.426 1.611 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265195660 408575584 /nfs/dbraw/zinc/57/55/84/408575584.db2.gz IKCQXBQBHUJUPV-INIZCTEOSA-N 2 2 323.481 1.354 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265195660 408575588 /nfs/dbraw/zinc/57/55/88/408575588.db2.gz IKCQXBQBHUJUPV-INIZCTEOSA-N 2 2 323.481 1.354 20 30 DDEDLP COCCNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287193320 409005232 /nfs/dbraw/zinc/00/52/32/409005232.db2.gz LCXMXEKGZDLAEB-MRXNPFEDSA-N 2 2 322.453 1.627 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000330276228 410609434 /nfs/dbraw/zinc/60/94/34/410609434.db2.gz MPARLSYPLOKONF-KGLIPLIRSA-N 2 2 301.394 1.058 20 30 DDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330286723 410614907 /nfs/dbraw/zinc/61/49/07/410614907.db2.gz AVLMHBXAMGNJPO-UKRRQHHQSA-N 2 2 318.421 1.798 20 30 DDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000330286723 410614914 /nfs/dbraw/zinc/61/49/14/410614914.db2.gz AVLMHBXAMGNJPO-UKRRQHHQSA-N 2 2 318.421 1.798 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000374011497 418483859 /nfs/dbraw/zinc/48/38/59/418483859.db2.gz IZFXWBODYJFVCC-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C[NH+]=C(NCc1ccnn1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958945 222263959 /nfs/dbraw/zinc/26/39/59/222263959.db2.gz JOEJRQHEECNBEY-UKRRQHHQSA-N 2 2 315.425 1.275 20 30 DDEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377793566 418714946 /nfs/dbraw/zinc/71/49/46/418714946.db2.gz SVRMWNFCBFBTCL-OAHLLOKOSA-N 2 2 306.454 1.553 20 30 DDEDLP CN(C(=O)CC(C)(C)C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377793566 418714948 /nfs/dbraw/zinc/71/49/48/418714948.db2.gz SVRMWNFCBFBTCL-OAHLLOKOSA-N 2 2 306.454 1.553 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376732457 418700819 /nfs/dbraw/zinc/70/08/19/418700819.db2.gz GIWIBYFTUXNPNU-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP CN(C(=O)C1(C#N)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369497387 418734105 /nfs/dbraw/zinc/73/41/05/418734105.db2.gz WGQUELZLAHOUAF-HNNXBMFYSA-N 2 2 304.438 1.307 20 30 DDEDLP CN(C(=O)C1(C#N)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369497387 418734106 /nfs/dbraw/zinc/73/41/06/418734106.db2.gz WGQUELZLAHOUAF-HNNXBMFYSA-N 2 2 304.438 1.307 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706471 418736617 /nfs/dbraw/zinc/73/66/17/418736617.db2.gz KNZGPRCIVKSTHE-IRXDYDNUSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706471 418736620 /nfs/dbraw/zinc/73/66/20/418736620.db2.gz KNZGPRCIVKSTHE-IRXDYDNUSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179504 418765618 /nfs/dbraw/zinc/76/56/18/418765618.db2.gz XTHFSXHLXJRMOH-HNNXBMFYSA-N 2 2 322.453 1.196 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179504 418765621 /nfs/dbraw/zinc/76/56/21/418765621.db2.gz XTHFSXHLXJRMOH-HNNXBMFYSA-N 2 2 322.453 1.196 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363809858 418770532 /nfs/dbraw/zinc/77/05/32/418770532.db2.gz BZQCUROJQTYJBC-GDBMZVCRSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363809858 418770533 /nfs/dbraw/zinc/77/05/33/418770533.db2.gz BZQCUROJQTYJBC-GDBMZVCRSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000365377860 418854624 /nfs/dbraw/zinc/85/46/24/418854624.db2.gz JCDWBRQFQVGGPZ-UHFFFAOYSA-N 2 2 314.433 1.523 20 30 DDEDLP C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365583401 418878370 /nfs/dbraw/zinc/87/83/70/418878370.db2.gz GMBNVTZVBJIPBN-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCOCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365583401 418878372 /nfs/dbraw/zinc/87/83/72/418878372.db2.gz GMBNVTZVBJIPBN-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426563703 419507790 /nfs/dbraw/zinc/50/77/90/419507790.db2.gz XXGVOTOUAOMTSD-INIZCTEOSA-N 2 2 301.438 1.769 20 30 DDEDLP C=C[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426563703 419507800 /nfs/dbraw/zinc/50/78/00/419507800.db2.gz XXGVOTOUAOMTSD-INIZCTEOSA-N 2 2 301.438 1.769 20 30 DDEDLP C=CCc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415109770 419948074 /nfs/dbraw/zinc/94/80/74/419948074.db2.gz MGUZQLZYCXFSGZ-OAHLLOKOSA-N 2 2 306.406 1.679 20 30 DDEDLP C=CCc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415109770 419948081 /nfs/dbraw/zinc/94/80/81/419948081.db2.gz MGUZQLZYCXFSGZ-OAHLLOKOSA-N 2 2 306.406 1.679 20 30 DDEDLP C[N@H+](CC1(C#N)CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000450366985 421189876 /nfs/dbraw/zinc/18/98/76/421189876.db2.gz VJQPWPSKAMRVHP-UHFFFAOYSA-N 2 2 301.438 1.973 20 30 DDEDLP C[N@@H+](CC1(C#N)CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000450366985 421189878 /nfs/dbraw/zinc/18/98/78/421189878.db2.gz VJQPWPSKAMRVHP-UHFFFAOYSA-N 2 2 301.438 1.973 20 30 DDEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000565651184 421599841 /nfs/dbraw/zinc/59/98/41/421599841.db2.gz MLLCSNZMMHRIPD-SJORKVTESA-N 2 2 303.406 1.696 20 30 DDEDLP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000565651184 421599842 /nfs/dbraw/zinc/59/98/42/421599842.db2.gz MLLCSNZMMHRIPD-SJORKVTESA-N 2 2 303.406 1.696 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535315399 421702989 /nfs/dbraw/zinc/70/29/89/421702989.db2.gz VVCNIKVNVZPRHT-CZUORRHYSA-N 2 2 303.410 1.264 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535315399 421702992 /nfs/dbraw/zinc/70/29/92/421702992.db2.gz VVCNIKVNVZPRHT-CZUORRHYSA-N 2 2 303.410 1.264 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000575021471 422238598 /nfs/dbraw/zinc/23/85/98/422238598.db2.gz NIAIBGIXSFPMAF-GFCCVEGCSA-N 2 2 307.785 1.318 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000575021471 422238605 /nfs/dbraw/zinc/23/86/05/422238605.db2.gz NIAIBGIXSFPMAF-GFCCVEGCSA-N 2 2 307.785 1.318 20 30 DDEDLP C=CC[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC[NH2+]1 ZINC000638985743 423232361 /nfs/dbraw/zinc/23/23/61/423232361.db2.gz NMLPGJGCVTUSFQ-KRWDZBQOSA-N 3 2 315.421 1.128 20 30 DDEDLP C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000662168300 424451351 /nfs/dbraw/zinc/45/13/51/424451351.db2.gz ARIOPHALLYNGNP-WCQYABFASA-N 2 2 300.362 1.540 20 30 DDEDLP C=CC[C@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000662794682 424770202 /nfs/dbraw/zinc/77/02/02/424770202.db2.gz HOCMXCWEXVOBDF-WMLDXEAASA-N 2 2 300.406 1.475 20 30 DDEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662693723 424737879 /nfs/dbraw/zinc/73/78/79/424737879.db2.gz LXSCDLWEPHRZID-KRWDZBQOSA-N 2 2 319.474 1.921 20 30 DDEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662693723 424737881 /nfs/dbraw/zinc/73/78/81/424737881.db2.gz LXSCDLWEPHRZID-KRWDZBQOSA-N 2 2 319.474 1.921 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330285966 288300277 /nfs/dbraw/zinc/30/02/77/288300277.db2.gz ZLITXJKGJAGGFU-HZSPNIEDSA-N 2 2 303.410 1.280 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330285966 288300278 /nfs/dbraw/zinc/30/02/78/288300278.db2.gz ZLITXJKGJAGGFU-HZSPNIEDSA-N 2 2 303.410 1.280 20 30 DDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000330286722 295385878 /nfs/dbraw/zinc/38/58/78/295385878.db2.gz AVLMHBXAMGNJPO-HIFRSBDPSA-N 2 2 318.421 1.798 20 30 DDEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000330286722 295385879 /nfs/dbraw/zinc/38/58/79/295385879.db2.gz AVLMHBXAMGNJPO-HIFRSBDPSA-N 2 2 318.421 1.798 20 30 DDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000562991325 333021258 /nfs/dbraw/zinc/02/12/58/333021258.db2.gz OTKGABZKTLFTTE-INIZCTEOSA-N 2 2 313.405 1.168 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526055672 333057853 /nfs/dbraw/zinc/05/78/53/333057853.db2.gz JZGKSMPWLAFROV-CVEARBPZSA-N 2 2 318.465 1.888 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526055672 333057854 /nfs/dbraw/zinc/05/78/54/333057854.db2.gz JZGKSMPWLAFROV-CVEARBPZSA-N 2 2 318.465 1.888 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303644 484793704 /nfs/dbraw/zinc/79/37/04/484793704.db2.gz IMWKVGZTIZZAPJ-NVXWUHKLSA-N 2 2 321.465 1.418 20 30 DDEDLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)s1 ZINC000424138501 534737906 /nfs/dbraw/zinc/73/79/06/534737906.db2.gz CFKZMHGSHBLUAI-CQSZACIVSA-N 2 2 321.450 1.117 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000491210130 526826755 /nfs/dbraw/zinc/82/67/55/526826755.db2.gz QHLMTPDGQWQHJU-UHFFFAOYSA-N 3 2 300.450 1.591 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000491210130 526826759 /nfs/dbraw/zinc/82/67/59/526826759.db2.gz QHLMTPDGQWQHJU-UHFFFAOYSA-N 3 2 300.450 1.591 20 30 DDEDLP C=CCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOCC1 ZINC000424708163 527053644 /nfs/dbraw/zinc/05/36/44/527053644.db2.gz RDZGIQJUQVHMIC-UHFFFAOYSA-N 2 2 323.481 1.502 20 30 DDEDLP C#CCn1ccc(C[N@H+](CCOC)CCn2cc[nH+]c2C)n1 ZINC000491680209 527189790 /nfs/dbraw/zinc/18/97/90/527189790.db2.gz HWYZOIBVESYNST-UHFFFAOYSA-N 2 2 301.394 1.170 20 30 DDEDLP C#CCn1ccc(C[N@@H+](CCOC)CCn2cc[nH+]c2C)n1 ZINC000491680209 527189793 /nfs/dbraw/zinc/18/97/93/527189793.db2.gz HWYZOIBVESYNST-UHFFFAOYSA-N 2 2 301.394 1.170 20 30 DDEDLP CC1CC[NH+](CCNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185267 528231741 /nfs/dbraw/zinc/23/17/41/528231741.db2.gz RGQHURVPRHILIY-CQSZACIVSA-N 2 2 305.426 1.433 20 30 DDEDLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185267 528231749 /nfs/dbraw/zinc/23/17/49/528231749.db2.gz RGQHURVPRHILIY-CQSZACIVSA-N 2 2 305.426 1.433 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278557 528855796 /nfs/dbraw/zinc/85/57/96/528855796.db2.gz SVNJWGYFDAXGOL-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278557 528855801 /nfs/dbraw/zinc/85/58/01/528855801.db2.gz SVNJWGYFDAXGOL-DOTOQJQBSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980209556 696708429 /nfs/dbraw/zinc/70/84/29/696708429.db2.gz SFXWATBUOPJZHK-HRCADAONSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980209556 696708431 /nfs/dbraw/zinc/70/84/31/696708431.db2.gz SFXWATBUOPJZHK-HRCADAONSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980245010 696717453 /nfs/dbraw/zinc/71/74/53/696717453.db2.gz LEWMSRYPILQIOK-ZNMIVQPWSA-N 2 2 322.840 1.852 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980245010 696717454 /nfs/dbraw/zinc/71/74/54/696717454.db2.gz LEWMSRYPILQIOK-ZNMIVQPWSA-N 2 2 322.840 1.852 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746570 695725045 /nfs/dbraw/zinc/72/50/45/695725045.db2.gz YKEWXPYEWRHAQK-HNNXBMFYSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746570 695725047 /nfs/dbraw/zinc/72/50/47/695725047.db2.gz YKEWXPYEWRHAQK-HNNXBMFYSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753800 695727173 /nfs/dbraw/zinc/72/71/73/695727173.db2.gz QXWBVQUKKRCKKA-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753800 695727175 /nfs/dbraw/zinc/72/71/75/695727175.db2.gz 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C#CCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000778780597 698367917 /nfs/dbraw/zinc/36/79/17/698367917.db2.gz NRGMSUKPUFZREX-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261962385 698447948 /nfs/dbraw/zinc/44/79/48/698447948.db2.gz KPMITUHNWOGNTN-JKSUJKDBSA-N 2 2 318.469 1.437 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989608383 698691792 /nfs/dbraw/zinc/69/17/92/698691792.db2.gz IWVGTWOGBOIFLF-BBRMVZONSA-N 2 2 323.400 1.603 20 30 DDEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000753952397 700470929 /nfs/dbraw/zinc/47/09/29/700470929.db2.gz HQWVZEIMKDHKFY-CABCVRRESA-N 2 2 312.479 1.701 20 30 DDEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000753952397 700470930 /nfs/dbraw/zinc/47/09/30/700470930.db2.gz HQWVZEIMKDHKFY-CABCVRRESA-N 2 2 312.479 1.701 20 30 DDEDLP C#C[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000848494208 703557756 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ZINC001016336098 756935027 /nfs/dbraw/zinc/93/50/27/756935027.db2.gz IGURSYQMFQSYHS-OAHLLOKOSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001016336098 756935031 /nfs/dbraw/zinc/93/50/31/756935031.db2.gz IGURSYQMFQSYHS-OAHLLOKOSA-N 2 2 309.841 1.275 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016392260 756988141 /nfs/dbraw/zinc/98/81/41/756988141.db2.gz AFKKHCRHEVPSHB-MRXNPFEDSA-N 2 2 309.373 1.145 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016392260 756988149 /nfs/dbraw/zinc/98/81/49/756988149.db2.gz AFKKHCRHEVPSHB-MRXNPFEDSA-N 2 2 309.373 1.145 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425003 762532315 /nfs/dbraw/zinc/53/23/15/762532315.db2.gz PGAKFHCXINICEI-FUHWJXTLSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425003 762532323 /nfs/dbraw/zinc/53/23/23/762532323.db2.gz PGAKFHCXINICEI-FUHWJXTLSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097845906 757598528 /nfs/dbraw/zinc/59/85/28/757598528.db2.gz PQSBXQZRXDAZPJ-SRABZTEZSA-N 2 2 312.417 1.109 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097845906 757598537 /nfs/dbraw/zinc/59/85/37/757598537.db2.gz PQSBXQZRXDAZPJ-SRABZTEZSA-N 2 2 312.417 1.109 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097988 758148207 /nfs/dbraw/zinc/14/82/07/758148207.db2.gz IYHAGKZEASCNDG-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097988 758148211 /nfs/dbraw/zinc/14/82/11/758148211.db2.gz IYHAGKZEASCNDG-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001053250485 758306232 /nfs/dbraw/zinc/30/62/32/758306232.db2.gz NSZVRJOKCJRPBB-MRXNPFEDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001053250485 758306241 /nfs/dbraw/zinc/30/62/41/758306241.db2.gz NSZVRJOKCJRPBB-MRXNPFEDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619264 758637811 /nfs/dbraw/zinc/63/78/11/758637811.db2.gz OFAUVMMUKBDTKN-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619264 758637821 /nfs/dbraw/zinc/63/78/21/758637821.db2.gz OFAUVMMUKBDTKN-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001040792792 762683539 /nfs/dbraw/zinc/68/35/39/762683539.db2.gz MGZZMJYRKRHGDX-UHFFFAOYSA-N 2 2 314.433 1.611 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001019437190 759937440 /nfs/dbraw/zinc/93/74/40/759937440.db2.gz HGFPKFZWDYCMDQ-HNNXBMFYSA-N 2 2 309.373 1.215 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001054696419 759987185 /nfs/dbraw/zinc/98/71/85/759987185.db2.gz WIAYETIAKVZIIA-DZGCQCFKSA-N 2 2 302.422 1.384 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681668 759997702 /nfs/dbraw/zinc/99/77/02/759997702.db2.gz CNJGTWUKIVEVPV-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681668 759997704 /nfs/dbraw/zinc/99/77/04/759997704.db2.gz CNJGTWUKIVEVPV-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681668 759997708 /nfs/dbraw/zinc/99/77/08/759997708.db2.gz CNJGTWUKIVEVPV-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681668 759997709 /nfs/dbraw/zinc/99/77/09/759997709.db2.gz CNJGTWUKIVEVPV-LSDHHAIUSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038339361 761022554 /nfs/dbraw/zinc/02/25/54/761022554.db2.gz GPJOHRRPOODNRI-HOTGVXAUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038339361 761022563 /nfs/dbraw/zinc/02/25/63/761022563.db2.gz GPJOHRRPOODNRI-HOTGVXAUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038339361 761022572 /nfs/dbraw/zinc/02/25/72/761022572.db2.gz GPJOHRRPOODNRI-HOTGVXAUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038339361 761022580 /nfs/dbraw/zinc/02/25/80/761022580.db2.gz GPJOHRRPOODNRI-HOTGVXAUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001038423649 761104504 /nfs/dbraw/zinc/10/45/04/761104504.db2.gz DLGPKJSWVFBMJN-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001038423649 761104505 /nfs/dbraw/zinc/10/45/05/761104505.db2.gz DLGPKJSWVFBMJN-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001368983 762796805 /nfs/dbraw/zinc/79/68/05/762796805.db2.gz SLGKFJCRLPHBAZ-UHFFFAOYSA-N 2 2 321.384 1.262 20 30 DDEDLP C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001001368983 762796813 /nfs/dbraw/zinc/79/68/13/762796813.db2.gz SLGKFJCRLPHBAZ-UHFFFAOYSA-N 2 2 321.384 1.262 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671397 762841764 /nfs/dbraw/zinc/84/17/64/762841764.db2.gz OEFPSWABPSGJPQ-ZNMIVQPWSA-N 2 2 300.406 1.335 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077899 763100422 /nfs/dbraw/zinc/10/04/22/763100422.db2.gz GFKLTZKCZYFAOO-HLLBOEOZSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077899 763100425 /nfs/dbraw/zinc/10/04/25/763100425.db2.gz GFKLTZKCZYFAOO-HLLBOEOZSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759335 763296498 /nfs/dbraw/zinc/29/64/98/763296498.db2.gz UAVZADQOXWYDBV-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759335 763296503 /nfs/dbraw/zinc/29/65/03/763296503.db2.gz UAVZADQOXWYDBV-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001041807923 763358263 /nfs/dbraw/zinc/35/82/63/763358263.db2.gz SUMYAQJJCNDMEM-QGZVFWFLSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001041807923 763358273 /nfs/dbraw/zinc/35/82/73/763358273.db2.gz SUMYAQJJCNDMEM-QGZVFWFLSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001050568019 763761911 /nfs/dbraw/zinc/76/19/11/763761911.db2.gz JZALDLGVVBAPOQ-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580738 763836375 /nfs/dbraw/zinc/83/63/75/763836375.db2.gz SZYCRVSLMOHSHW-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580738 763836384 /nfs/dbraw/zinc/83/63/84/763836384.db2.gz SZYCRVSLMOHSHW-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731669 763972582 /nfs/dbraw/zinc/97/25/82/763972582.db2.gz MEDVVJAKXVUHFN-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772434 764022023 /nfs/dbraw/zinc/02/20/23/764022023.db2.gz MLVTYLGUVHPMCJ-FZKCQIBNSA-N 2 2 300.406 1.579 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001050948648 764329326 /nfs/dbraw/zinc/32/93/26/764329326.db2.gz MFFOSTJPSNFGCT-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001050948648 764329339 /nfs/dbraw/zinc/32/93/39/764329339.db2.gz MFFOSTJPSNFGCT-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050948648 764329347 /nfs/dbraw/zinc/32/93/47/764329347.db2.gz MFFOSTJPSNFGCT-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050948648 764329353 /nfs/dbraw/zinc/32/93/53/764329353.db2.gz MFFOSTJPSNFGCT-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001050948649 764329434 /nfs/dbraw/zinc/32/94/34/764329434.db2.gz MFFOSTJPSNFGCT-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001050948649 764329444 /nfs/dbraw/zinc/32/94/44/764329444.db2.gz MFFOSTJPSNFGCT-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050948649 764329454 /nfs/dbraw/zinc/32/94/54/764329454.db2.gz MFFOSTJPSNFGCT-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050948649 764329458 /nfs/dbraw/zinc/32/94/58/764329458.db2.gz MFFOSTJPSNFGCT-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138839 764343671 /nfs/dbraw/zinc/34/36/71/764343671.db2.gz LHTNZUWDGPHMSQ-CVEARBPZSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138839 764343679 /nfs/dbraw/zinc/34/36/79/764343679.db2.gz LHTNZUWDGPHMSQ-CVEARBPZSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001051149907 764556186 /nfs/dbraw/zinc/55/61/86/764556186.db2.gz JSUMRDAQIAUDMC-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001051149907 764556189 /nfs/dbraw/zinc/55/61/89/764556189.db2.gz JSUMRDAQIAUDMC-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001051149907 764556192 /nfs/dbraw/zinc/55/61/92/764556192.db2.gz JSUMRDAQIAUDMC-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001051149907 764556198 /nfs/dbraw/zinc/55/61/98/764556198.db2.gz JSUMRDAQIAUDMC-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001113008679 765132927 /nfs/dbraw/zinc/13/29/27/765132927.db2.gz ZDQXNRIZMQFHCD-IRXDYDNUSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001113008679 765132929 /nfs/dbraw/zinc/13/29/29/765132929.db2.gz ZDQXNRIZMQFHCD-IRXDYDNUSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001044841928 765843452 /nfs/dbraw/zinc/84/34/52/765843452.db2.gz OOECZRWFCUGRIK-DGCLKSJQSA-N 2 2 310.829 1.982 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507030 765901478 /nfs/dbraw/zinc/90/14/78/765901478.db2.gz QGKPKWFUTQHAFW-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507030 765901484 /nfs/dbraw/zinc/90/14/84/765901484.db2.gz QGKPKWFUTQHAFW-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507030 765901488 /nfs/dbraw/zinc/90/14/88/765901488.db2.gz QGKPKWFUTQHAFW-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507030 765901493 /nfs/dbraw/zinc/90/14/93/765901493.db2.gz QGKPKWFUTQHAFW-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045480536 766337935 /nfs/dbraw/zinc/33/79/35/766337935.db2.gz VVXAFZCOLLPACS-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045484689 766341717 /nfs/dbraw/zinc/34/17/17/766341717.db2.gz BJSKDKBAAHMWJT-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001045797517 766593494 /nfs/dbraw/zinc/59/34/94/766593494.db2.gz MECYJGTTWUSCJO-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045797517 766593498 /nfs/dbraw/zinc/59/34/98/766593498.db2.gz MECYJGTTWUSCJO-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045797517 766593506 /nfs/dbraw/zinc/59/35/06/766593506.db2.gz MECYJGTTWUSCJO-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045797517 766593511 /nfs/dbraw/zinc/59/35/11/766593511.db2.gz MECYJGTTWUSCJO-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#CC ZINC001045797653 766594120 /nfs/dbraw/zinc/59/41/20/766594120.db2.gz UBPWVNJZRVAXPN-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#CC ZINC001045797653 766594126 /nfs/dbraw/zinc/59/41/26/766594126.db2.gz UBPWVNJZRVAXPN-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC#CC ZINC001045797653 766594134 /nfs/dbraw/zinc/59/41/34/766594134.db2.gz UBPWVNJZRVAXPN-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC#CC ZINC001045797653 766594140 /nfs/dbraw/zinc/59/41/40/766594140.db2.gz UBPWVNJZRVAXPN-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404813 767500314 /nfs/dbraw/zinc/50/03/14/767500314.db2.gz PQRSQIAUFJTBFC-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046424263 767545209 /nfs/dbraw/zinc/54/52/09/767545209.db2.gz BHUBFIZJQPFELF-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046424263 767545212 /nfs/dbraw/zinc/54/52/12/767545212.db2.gz BHUBFIZJQPFELF-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046435116 767563964 /nfs/dbraw/zinc/56/39/64/767563964.db2.gz XUVFORQDZBAYGR-KDOFPFPSSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046435116 767563969 /nfs/dbraw/zinc/56/39/69/767563969.db2.gz XUVFORQDZBAYGR-KDOFPFPSSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046435116 767563974 /nfs/dbraw/zinc/56/39/74/767563974.db2.gz XUVFORQDZBAYGR-KDOFPFPSSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046435116 767563982 /nfs/dbraw/zinc/56/39/82/767563982.db2.gz XUVFORQDZBAYGR-KDOFPFPSSA-N 2 2 314.433 1.427 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825641 768391986 /nfs/dbraw/zinc/39/19/86/768391986.db2.gz RZVZZECWXPRWMW-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825641 768391993 /nfs/dbraw/zinc/39/19/93/768391993.db2.gz RZVZZECWXPRWMW-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048908305 770094067 /nfs/dbraw/zinc/09/40/67/770094067.db2.gz QFXXVSHGNUCNHE-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048908305 770094079 /nfs/dbraw/zinc/09/40/79/770094079.db2.gz QFXXVSHGNUCNHE-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089409 770351155 /nfs/dbraw/zinc/35/11/55/770351155.db2.gz MSYMESAFKYSJNL-HRCADAONSA-N 2 2 302.422 1.801 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089409 770351168 /nfs/dbraw/zinc/35/11/68/770351168.db2.gz MSYMESAFKYSJNL-HRCADAONSA-N 2 2 302.422 1.801 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000632 770415036 /nfs/dbraw/zinc/41/50/36/770415036.db2.gz XUVLAEIOOKNCST-GJZGRUSLSA-N 2 2 314.433 1.754 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000632 770415039 /nfs/dbraw/zinc/41/50/39/770415039.db2.gz XUVLAEIOOKNCST-GJZGRUSLSA-N 2 2 314.433 1.754 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612353 771018623 /nfs/dbraw/zinc/01/86/23/771018623.db2.gz MOJWDJBARXYYAP-LSDHHAIUSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612353 771018629 /nfs/dbraw/zinc/01/86/29/771018629.db2.gz MOJWDJBARXYYAP-LSDHHAIUSA-N 2 2 302.422 1.604 20 30 DDEDLP C[C@H](CC(=O)NCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001134494531 771025250 /nfs/dbraw/zinc/02/52/50/771025250.db2.gz AMJUNEDFIMQJFB-CQSZACIVSA-N 2 2 311.389 1.612 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545796 771043608 /nfs/dbraw/zinc/04/36/08/771043608.db2.gz RJDWJQRSVUEHGV-KBPBESRZSA-N 2 2 308.426 1.418 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545796 771043613 /nfs/dbraw/zinc/04/36/13/771043613.db2.gz RJDWJQRSVUEHGV-KBPBESRZSA-N 2 2 308.426 1.418 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867600 771218900 /nfs/dbraw/zinc/21/89/00/771218900.db2.gz NUXISOAJKYSBMB-JKSUJKDBSA-N 2 2 302.422 1.902 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867600 771218906 /nfs/dbraw/zinc/21/89/06/771218906.db2.gz NUXISOAJKYSBMB-JKSUJKDBSA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074130 771308756 /nfs/dbraw/zinc/30/87/56/771308756.db2.gz JDSDGPSSUCCGKW-CHWSQXEVSA-N 2 2 312.845 1.978 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086800019 771762849 /nfs/dbraw/zinc/76/28/49/771762849.db2.gz QLDJTKIBYMAGRP-BFHYXJOUSA-N 2 2 302.422 1.890 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146520381 772887300 /nfs/dbraw/zinc/88/73/00/772887300.db2.gz VSOFCZWGEGSBPH-UHFFFAOYSA-N 2 2 305.769 1.339 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897894 773870830 /nfs/dbraw/zinc/87/08/30/773870830.db2.gz JVJIMIYHDSWWAC-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897894 773870835 /nfs/dbraw/zinc/87/08/35/773870835.db2.gz JVJIMIYHDSWWAC-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777686 774591209 /nfs/dbraw/zinc/59/12/09/774591209.db2.gz GMGJSHLXUCYUAD-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777686 774591214 /nfs/dbraw/zinc/59/12/14/774591214.db2.gz GMGJSHLXUCYUAD-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785457 774611358 /nfs/dbraw/zinc/61/13/58/774611358.db2.gz FWKKVLMSUSYYGX-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785457 774611360 /nfs/dbraw/zinc/61/13/60/774611360.db2.gz FWKKVLMSUSYYGX-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138194 774858927 /nfs/dbraw/zinc/85/89/27/774858927.db2.gz WUKZZINBLOGVAW-YOEHRIQHSA-N 2 2 302.422 1.807 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138194 774858938 /nfs/dbraw/zinc/85/89/38/774858938.db2.gz WUKZZINBLOGVAW-YOEHRIQHSA-N 2 2 302.422 1.807 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136179 775721511 /nfs/dbraw/zinc/72/15/11/775721511.db2.gz ITFOKFFJYGFJGD-CVEARBPZSA-N 2 2 322.453 1.405 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136179 775721521 /nfs/dbraw/zinc/72/15/21/775721521.db2.gz ITFOKFFJYGFJGD-CVEARBPZSA-N 2 2 322.453 1.405 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100332534 776011469 /nfs/dbraw/zinc/01/14/69/776011469.db2.gz FXADOZFFRYBEKD-UHFFFAOYSA-N 2 2 310.401 1.764 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100461320 776188297 /nfs/dbraw/zinc/18/82/97/776188297.db2.gz UIXZIZKLWUWFGI-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171603899 776366485 /nfs/dbraw/zinc/36/64/85/776366485.db2.gz DKVBGCWGAAOZRM-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CCOC1CCC(n2c[nH+]cc2CCNC(=O)CC[NH3+])CC1 ZINC001173317509 777127547 /nfs/dbraw/zinc/12/75/47/777127547.db2.gz DMDQXAJJJBWOIR-UHFFFAOYSA-N 2 2 320.437 1.577 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001174684131 777551431 /nfs/dbraw/zinc/55/14/31/777551431.db2.gz ZWHLYYXQWVJOJK-UHFFFAOYSA-N 2 2 310.401 1.408 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752175 779161698 /nfs/dbraw/zinc/16/16/98/779161698.db2.gz JCZYLRUJWLPFHM-HUUCEWRRSA-N 2 2 302.422 1.803 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752175 779161702 /nfs/dbraw/zinc/16/17/02/779161702.db2.gz JCZYLRUJWLPFHM-HUUCEWRRSA-N 2 2 302.422 1.803 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178872484 779207066 /nfs/dbraw/zinc/20/70/66/779207066.db2.gz RAUPQLOPONZYEL-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179621646 779439460 /nfs/dbraw/zinc/43/94/60/779439460.db2.gz CDVKWRQMIWMVQZ-JYJNAYRXSA-N 2 2 318.421 1.063 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019825 779599227 /nfs/dbraw/zinc/59/92/27/779599227.db2.gz UIHKYKDJUQCZSZ-WMZOPIPTSA-N 2 2 314.433 1.657 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019825 779599232 /nfs/dbraw/zinc/59/92/32/779599232.db2.gz UIHKYKDJUQCZSZ-WMZOPIPTSA-N 2 2 314.433 1.657 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765951 780411853 /nfs/dbraw/zinc/41/18/53/780411853.db2.gz NENGRGWDBSESDB-AWEZNQCLSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765951 780411857 /nfs/dbraw/zinc/41/18/57/780411857.db2.gz NENGRGWDBSESDB-AWEZNQCLSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266745718 836768775 /nfs/dbraw/zinc/76/87/75/836768775.db2.gz HJCRLMOAKLZNKX-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267060093 837268433 /nfs/dbraw/zinc/26/84/33/837268433.db2.gz DASYTKLAYGZNHG-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267060093 837268438 /nfs/dbraw/zinc/26/84/38/837268438.db2.gz DASYTKLAYGZNHG-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001267092340 837327638 /nfs/dbraw/zinc/32/76/38/837327638.db2.gz AEYZZSAYYYZXTM-CVEARBPZSA-N 2 2 302.422 1.704 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435434 838041095 /nfs/dbraw/zinc/04/10/95/838041095.db2.gz YGVWRHUQSDXNBQ-UHFFFAOYSA-N 2 2 315.352 1.211 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001267726809 838755458 /nfs/dbraw/zinc/75/54/58/838755458.db2.gz DDLMVCSLHAMYFC-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001267726809 838755461 /nfs/dbraw/zinc/75/54/61/838755461.db2.gz DDLMVCSLHAMYFC-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001268133978 839734098 /nfs/dbraw/zinc/73/40/98/839734098.db2.gz VSBVDKQWAROELD-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001269034334 841131541 /nfs/dbraw/zinc/13/15/41/841131541.db2.gz VHHHWXDDEMSUTR-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCF)C1 ZINC001269034334 841131549 /nfs/dbraw/zinc/13/15/49/841131549.db2.gz VHHHWXDDEMSUTR-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001269034334 841131555 /nfs/dbraw/zinc/13/15/55/841131555.db2.gz VHHHWXDDEMSUTR-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001269034334 841131561 /nfs/dbraw/zinc/13/15/61/841131561.db2.gz VHHHWXDDEMSUTR-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001269487316 841688964 /nfs/dbraw/zinc/68/89/64/841688964.db2.gz UXPHOVBFCRBTTF-MRXNPFEDSA-N 2 2 310.401 1.488 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278071 848237330 /nfs/dbraw/zinc/23/73/30/848237330.db2.gz HKBCHRRDVDNKPK-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278071 848237340 /nfs/dbraw/zinc/23/73/40/848237340.db2.gz HKBCHRRDVDNKPK-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391436 848425513 /nfs/dbraw/zinc/42/55/13/848425513.db2.gz MDYAZRRTSLKBMR-LSDHHAIUSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391436 848425525 /nfs/dbraw/zinc/42/55/25/848425525.db2.gz MDYAZRRTSLKBMR-LSDHHAIUSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828030 861923039 /nfs/dbraw/zinc/92/30/39/861923039.db2.gz QLMCCLBTUIMZNA-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828030 861923053 /nfs/dbraw/zinc/92/30/53/861923053.db2.gz QLMCCLBTUIMZNA-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828030 861923069 /nfs/dbraw/zinc/92/30/69/861923069.db2.gz QLMCCLBTUIMZNA-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828030 861923078 /nfs/dbraw/zinc/92/30/78/861923078.db2.gz QLMCCLBTUIMZNA-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001273351189 849617127 /nfs/dbraw/zinc/61/71/27/849617127.db2.gz MKJYGIWJAVKWAN-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CO2 ZINC001327409153 862148645 /nfs/dbraw/zinc/14/86/45/862148645.db2.gz WDTZKWAAIQUBKL-HZPDHXFCSA-N 2 2 323.481 1.642 20 30 DDEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521929 862187163 /nfs/dbraw/zinc/18/71/63/862187163.db2.gz OSYGJRCNLDHEEY-JKSUJKDBSA-N 2 2 320.437 1.311 20 30 DDEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521929 862187172 /nfs/dbraw/zinc/18/71/72/862187172.db2.gz OSYGJRCNLDHEEY-JKSUJKDBSA-N 2 2 320.437 1.311 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563708 862232119 /nfs/dbraw/zinc/23/21/19/862232119.db2.gz JBLHEUOSHRGSPY-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001275632958 853464586 /nfs/dbraw/zinc/46/45/86/853464586.db2.gz RBWLLJVIUPEAPF-UQPPLGOBSA-N 2 2 316.449 1.971 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001275632958 853464593 /nfs/dbraw/zinc/46/45/93/853464593.db2.gz RBWLLJVIUPEAPF-UQPPLGOBSA-N 2 2 316.449 1.971 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151374345 862749436 /nfs/dbraw/zinc/74/94/36/862749436.db2.gz HBJVQXZSUMPWSW-UHFFFAOYSA-N 2 2 306.410 1.126 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001049561789 856979376 /nfs/dbraw/zinc/97/93/76/856979376.db2.gz QLSODHOXZZOEDV-USXIJHARSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001049561789 856979381 /nfs/dbraw/zinc/97/93/81/856979381.db2.gz QLSODHOXZZOEDV-USXIJHARSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073048828 858046084 /nfs/dbraw/zinc/04/60/84/858046084.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073048828 858046085 /nfs/dbraw/zinc/04/60/85/858046085.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073048828 858046086 /nfs/dbraw/zinc/04/60/86/858046086.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073048828 858046087 /nfs/dbraw/zinc/04/60/87/858046087.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 2 300.406 1.146 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073432022 858330423 /nfs/dbraw/zinc/33/04/23/858330423.db2.gz RSWWXCJXRIHFTI-UHFFFAOYSA-N 2 2 308.813 1.478 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073432022 858330427 /nfs/dbraw/zinc/33/04/27/858330427.db2.gz RSWWXCJXRIHFTI-UHFFFAOYSA-N 2 2 308.813 1.478 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001121909275 858629915 /nfs/dbraw/zinc/62/99/15/858629915.db2.gz LVCRMFRDNRHFHP-GASCZTMLSA-N 2 2 315.417 1.457 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001121909275 858629918 /nfs/dbraw/zinc/62/99/18/858629918.db2.gz LVCRMFRDNRHFHP-GASCZTMLSA-N 2 2 315.417 1.457 20 30 DDEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](CC)CC1 ZINC001122488236 858848092 /nfs/dbraw/zinc/84/80/92/858848092.db2.gz TXGXPABXKJSADQ-UHFFFAOYSA-N 2 2 318.469 1.592 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202864198 860180159 /nfs/dbraw/zinc/18/01/59/860180159.db2.gz RZNFAKBRBYKHJH-CQSZACIVSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202864198 860180163 /nfs/dbraw/zinc/18/01/63/860180163.db2.gz RZNFAKBRBYKHJH-CQSZACIVSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224788157 881536696 /nfs/dbraw/zinc/53/66/96/881536696.db2.gz NOCYXRIIOJOLDF-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224788157 881536704 /nfs/dbraw/zinc/53/67/04/881536704.db2.gz NOCYXRIIOJOLDF-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001330403627 864314356 /nfs/dbraw/zinc/31/43/56/864314356.db2.gz JVAHGDZTQJFGGZ-GJZGRUSLSA-N 2 2 320.437 1.134 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001332098819 865575745 /nfs/dbraw/zinc/57/57/45/865575745.db2.gz GNRDUZWRLYTQJG-DOTOQJQBSA-N 2 2 300.406 1.410 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@H]12 ZINC001332098819 865575754 /nfs/dbraw/zinc/57/57/54/865575754.db2.gz GNRDUZWRLYTQJG-DOTOQJQBSA-N 2 2 300.406 1.410 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320112613 866482498 /nfs/dbraw/zinc/48/24/98/866482498.db2.gz DXZZXEYUOPNPSH-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320112613 866482505 /nfs/dbraw/zinc/48/25/05/866482505.db2.gz DXZZXEYUOPNPSH-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161349793 866571394 /nfs/dbraw/zinc/57/13/94/866571394.db2.gz UAXLUOMRQWDGDK-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161349793 866571402 /nfs/dbraw/zinc/57/14/02/866571402.db2.gz UAXLUOMRQWDGDK-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001333443473 866748521 /nfs/dbraw/zinc/74/85/21/866748521.db2.gz AMNDCZHYCHTXFV-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001333443473 866748530 /nfs/dbraw/zinc/74/85/30/866748530.db2.gz AMNDCZHYCHTXFV-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC001324511031 867322330 /nfs/dbraw/zinc/32/23/30/867322330.db2.gz XDEKETWKHMCNGK-QGZVFWFLSA-N 2 2 316.449 1.641 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162628742 867689964 /nfs/dbraw/zinc/68/99/64/867689964.db2.gz FPQCMSGXTCDAPT-UHFFFAOYSA-N 2 2 320.437 1.304 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001325581777 868154764 /nfs/dbraw/zinc/15/47/64/868154764.db2.gz NXMMVXWQHRBXIC-UONOGXRCSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC001336798171 869148822 /nfs/dbraw/zinc/14/88/22/869148822.db2.gz WADVBAUJBGALFZ-SFHVURJKSA-N 2 2 316.445 1.730 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001337339956 869443368 /nfs/dbraw/zinc/44/33/68/869443368.db2.gz FGLYYWMJLHCDEN-IRXDYDNUSA-N 2 2 315.392 1.396 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001337339956 869443375 /nfs/dbraw/zinc/44/33/75/869443375.db2.gz FGLYYWMJLHCDEN-IRXDYDNUSA-N 2 2 315.392 1.396 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317325590 870646613 /nfs/dbraw/zinc/64/66/13/870646613.db2.gz HHOFKROJQDJOED-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317328238 870651101 /nfs/dbraw/zinc/65/11/01/870651101.db2.gz ZXDFBEKRSHPTOA-DLBZAZTESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203661424 870697766 /nfs/dbraw/zinc/69/77/66/870697766.db2.gz VDPRCDFQNHNACD-CABCVRRESA-N 2 2 300.406 1.301 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001317377104 870735363 /nfs/dbraw/zinc/73/53/63/870735363.db2.gz UQZCUQBYHJBNOJ-UHFFFAOYSA-N 2 2 310.401 1.355 20 30 DDEDLP C#CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001317554538 871062727 /nfs/dbraw/zinc/06/27/27/871062727.db2.gz XAIAGTNNCWLKGT-UHFFFAOYSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001317554538 871062747 /nfs/dbraw/zinc/06/27/47/871062747.db2.gz XAIAGTNNCWLKGT-UHFFFAOYSA-N 2 2 302.422 1.531 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317598378 871173682 /nfs/dbraw/zinc/17/36/82/871173682.db2.gz RAPHHXBDCQEZPA-HZPDHXFCSA-N 2 2 323.400 1.633 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317598378 871173685 /nfs/dbraw/zinc/17/36/85/871173685.db2.gz RAPHHXBDCQEZPA-HZPDHXFCSA-N 2 2 323.400 1.633 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001340999362 871459270 /nfs/dbraw/zinc/45/92/70/871459270.db2.gz IPHLTQJEPKXXLI-UHFFFAOYSA-N 2 2 311.389 1.191 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317876910 871614860 /nfs/dbraw/zinc/61/48/60/871614860.db2.gz QFIKEQZXJKDABG-MRXNPFEDSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317876910 871614878 /nfs/dbraw/zinc/61/48/78/871614878.db2.gz QFIKEQZXJKDABG-MRXNPFEDSA-N 2 2 314.433 1.249 20 30 DDEDLP CC(C)OCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341926614 871898793 /nfs/dbraw/zinc/89/87/93/871898793.db2.gz NKZCJUZMKXARIF-UHFFFAOYSA-N 2 2 322.428 1.926 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319320194 872569099 /nfs/dbraw/zinc/56/90/99/872569099.db2.gz XTYLQCJLEQATTD-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319320194 872569110 /nfs/dbraw/zinc/56/91/10/872569110.db2.gz XTYLQCJLEQATTD-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001319320194 872569118 /nfs/dbraw/zinc/56/91/18/872569118.db2.gz XTYLQCJLEQATTD-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001319320194 872569127 /nfs/dbraw/zinc/56/91/27/872569127.db2.gz XTYLQCJLEQATTD-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319620936 872722401 /nfs/dbraw/zinc/72/24/01/872722401.db2.gz QOKDJLDCVDNMGE-GJZGRUSLSA-N 2 2 304.438 1.752 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659840 873449920 /nfs/dbraw/zinc/44/99/20/873449920.db2.gz PGEZWJCNMZELKU-BZUAXINKSA-N 2 2 302.422 1.540 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659840 873449926 /nfs/dbraw/zinc/44/99/26/873449926.db2.gz PGEZWJCNMZELKU-BZUAXINKSA-N 2 2 302.422 1.540 20 30 DDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001378043948 873979100 /nfs/dbraw/zinc/97/91/00/873979100.db2.gz PUKFMDAMEQVMFX-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001378043948 873979111 /nfs/dbraw/zinc/97/91/11/873979111.db2.gz PUKFMDAMEQVMFX-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001378043948 873979117 /nfs/dbraw/zinc/97/91/17/873979117.db2.gz PUKFMDAMEQVMFX-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001378043948 873979132 /nfs/dbraw/zinc/97/91/32/873979132.db2.gz PUKFMDAMEQVMFX-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447442 874148562 /nfs/dbraw/zinc/14/85/62/874148562.db2.gz NLRSIEIIGRXYMF-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450940 874153594 /nfs/dbraw/zinc/15/35/94/874153594.db2.gz OBLJQDHWYOQJMH-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451158 874155593 /nfs/dbraw/zinc/15/55/93/874155593.db2.gz SBSGCMUKRNKCEN-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451158 874155597 /nfs/dbraw/zinc/15/55/97/874155597.db2.gz SBSGCMUKRNKCEN-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378179479 874344191 /nfs/dbraw/zinc/34/41/91/874344191.db2.gz WBJSQWKZXYJAAA-ZDUSSCGKSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378179479 874344200 /nfs/dbraw/zinc/34/42/00/874344200.db2.gz WBJSQWKZXYJAAA-ZDUSSCGKSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001378194562 874399813 /nfs/dbraw/zinc/39/98/13/874399813.db2.gz WKCRKIXFVRHMIH-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001378194562 874399829 /nfs/dbraw/zinc/39/98/29/874399829.db2.gz WKCRKIXFVRHMIH-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001216061298 876852397 /nfs/dbraw/zinc/85/23/97/876852397.db2.gz GUEPMMKTTABREU-NVXWUHKLSA-N 2 2 322.412 1.440 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216367112 876927099 /nfs/dbraw/zinc/92/70/99/876927099.db2.gz ZYZIPRBNYMBFOV-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859336 877086303 /nfs/dbraw/zinc/08/63/03/877086303.db2.gz NSAHQUNDMFPLRL-OIISXLGYSA-N 2 2 314.433 1.144 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001379694055 877759531 /nfs/dbraw/zinc/75/95/31/877759531.db2.gz NMWYIVKSOPNGPZ-CHWSQXEVSA-N 2 2 310.829 1.888 20 30 DDEDLP N#Cc1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(C#N)c1 ZINC001219394064 878174001 /nfs/dbraw/zinc/17/40/01/878174001.db2.gz WZTOURJELYBZOI-OAHLLOKOSA-N 2 2 305.341 1.641 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301767 883913833 /nfs/dbraw/zinc/91/38/33/883913833.db2.gz WOOWIKTXTSAPEZ-ZIAGYGMSSA-N 2 2 306.410 1.172 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001364360857 888456814 /nfs/dbraw/zinc/45/68/14/888456814.db2.gz VFMKYIAOXYEBNP-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001364360857 888456822 /nfs/dbraw/zinc/45/68/22/888456822.db2.gz VFMKYIAOXYEBNP-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001364360859 888456987 /nfs/dbraw/zinc/45/69/87/888456987.db2.gz VFMKYIAOXYEBNP-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001364360859 888456994 /nfs/dbraw/zinc/45/69/94/888456994.db2.gz VFMKYIAOXYEBNP-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC/C=C\CC ZINC001235454003 888655039 /nfs/dbraw/zinc/65/50/39/888655039.db2.gz IDMZOZACVSDOPG-LUNNPTDRSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001235454003 888655048 /nfs/dbraw/zinc/65/50/48/888655048.db2.gz IDMZOZACVSDOPG-LUNNPTDRSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C\CC ZINC001235454003 888655056 /nfs/dbraw/zinc/65/50/56/888655056.db2.gz IDMZOZACVSDOPG-LUNNPTDRSA-N 2 2 317.477 1.973 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC/C=C\CC ZINC001235454003 888655065 /nfs/dbraw/zinc/65/50/65/888655065.db2.gz IDMZOZACVSDOPG-LUNNPTDRSA-N 2 2 317.477 1.973 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246944974 893007713 /nfs/dbraw/zinc/00/77/13/893007713.db2.gz DMDOGZMMWFXCRT-ROUUACIJSA-N 3 2 306.498 1.419 20 30 DDEDLP C#CC[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001278636586 894786229 /nfs/dbraw/zinc/78/62/29/894786229.db2.gz ATYOJHJISXTAHA-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001252553452 895275818 /nfs/dbraw/zinc/27/58/18/895275818.db2.gz XIZMIEVTAZEXEP-KRWDZBQOSA-N 2 2 320.433 1.883 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001252553452 895275832 /nfs/dbraw/zinc/27/58/32/895275832.db2.gz XIZMIEVTAZEXEP-KRWDZBQOSA-N 2 2 320.433 1.883 20 30 DDEDLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001390861668 900383188 /nfs/dbraw/zinc/38/31/88/900383188.db2.gz QAOQEWBXZMMPAT-UHFFFAOYSA-N 2 2 318.396 1.341 20 30 DDEDLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC001390861668 900383194 /nfs/dbraw/zinc/38/31/94/900383194.db2.gz QAOQEWBXZMMPAT-UHFFFAOYSA-N 2 2 318.396 1.341 20 30 DDEDLP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078362 900913826 /nfs/dbraw/zinc/91/38/26/900913826.db2.gz IVHNIEVCXRNZDP-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078362 900913832 /nfs/dbraw/zinc/91/38/32/900913832.db2.gz IVHNIEVCXRNZDP-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264738716 901318177 /nfs/dbraw/zinc/31/81/77/901318177.db2.gz DAZUULNSDWVGFI-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264738716 901318188 /nfs/dbraw/zinc/31/81/88/901318188.db2.gz DAZUULNSDWVGFI-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264738716 901318199 /nfs/dbraw/zinc/31/81/99/901318199.db2.gz DAZUULNSDWVGFI-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264738716 901318208 /nfs/dbraw/zinc/31/82/08/901318208.db2.gz DAZUULNSDWVGFI-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001279204292 903193429 /nfs/dbraw/zinc/19/34/29/903193429.db2.gz LCDNTOJWZWCTHR-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001281527121 904976901 /nfs/dbraw/zinc/97/69/01/904976901.db2.gz ZLVBGPHATRYCEL-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282149507 905582192 /nfs/dbraw/zinc/58/21/92/905582192.db2.gz WJTLLJKDISWLRM-CHWSQXEVSA-N 2 2 314.389 1.309 20 30 DDEDLP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001282321143 905683515 /nfs/dbraw/zinc/68/35/15/905683515.db2.gz MKDRVWAMTVKEMB-ZIAGYGMSSA-N 2 2 304.438 1.784 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001393788374 907915703 /nfs/dbraw/zinc/91/57/03/907915703.db2.gz UCOSAACBFFSEOR-KBPBESRZSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001393788374 907915717 /nfs/dbraw/zinc/91/57/17/907915717.db2.gz UCOSAACBFFSEOR-KBPBESRZSA-N 2 2 310.829 1.995 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001283904422 908163262 /nfs/dbraw/zinc/16/32/62/908163262.db2.gz FZTAFZDUYPGZMY-LSDHHAIUSA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284424458 908979689 /nfs/dbraw/zinc/97/96/89/908979689.db2.gz IQPXSBATFCWMCA-CQSZACIVSA-N 2 2 316.405 1.552 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[N@H+](C)C1 ZINC000328898210 539299532 /nfs/dbraw/zinc/29/95/32/539299532.db2.gz DANGXXHNCVKFES-ZNMIVQPWSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[N@@H+](C)C1 ZINC000328898210 539299533 /nfs/dbraw/zinc/29/95/33/539299533.db2.gz DANGXXHNCVKFES-ZNMIVQPWSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[NH+](C)C1 ZINC000328898210 539299534 /nfs/dbraw/zinc/29/95/34/539299534.db2.gz DANGXXHNCVKFES-ZNMIVQPWSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[NH+](C)C1 ZINC000328898210 539299536 /nfs/dbraw/zinc/29/95/36/539299536.db2.gz DANGXXHNCVKFES-ZNMIVQPWSA-N 2 2 313.442 1.019 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272816463 210217733 /nfs/dbraw/zinc/21/77/33/210217733.db2.gz FZLMOYJXAKXRDE-WBVHZDCISA-N 2 2 301.434 1.931 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272816463 210217735 /nfs/dbraw/zinc/21/77/35/210217735.db2.gz FZLMOYJXAKXRDE-WBVHZDCISA-N 2 2 301.434 1.931 20 30 DDEDLP CC(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181432877 199295809 /nfs/dbraw/zinc/29/58/09/199295809.db2.gz WQXCSTWIWNBGID-UHFFFAOYSA-N 2 2 314.433 1.638 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(CC#N)CC1 ZINC000431190673 529903512 /nfs/dbraw/zinc/90/35/12/529903512.db2.gz BRENKSOBDQHBSX-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(CC#N)CC1 ZINC000431190673 529903513 /nfs/dbraw/zinc/90/35/13/529903513.db2.gz BRENKSOBDQHBSX-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP CN(c1ncc(C#N)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591147039 355254884 /nfs/dbraw/zinc/25/48/84/355254884.db2.gz GUKDVUXBVPHZLM-OAHLLOKOSA-N 2 2 317.412 1.697 20 30 DDEDLP CN(c1ncc(C#N)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591147039 355254887 /nfs/dbraw/zinc/25/48/87/355254887.db2.gz GUKDVUXBVPHZLM-OAHLLOKOSA-N 2 2 317.412 1.697 20 30 DDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000592760445 355678985 /nfs/dbraw/zinc/67/89/85/355678985.db2.gz AZVYRHFUSLQADZ-ZDUSSCGKSA-N 2 2 303.410 1.501 20 30 DDEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065168 356758745 /nfs/dbraw/zinc/75/87/45/356758745.db2.gz FIOJNXQTKJMBCA-IAGOWNOFSA-N 2 2 317.433 1.566 20 30 DDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065168 356758747 /nfs/dbraw/zinc/75/87/47/356758747.db2.gz FIOJNXQTKJMBCA-IAGOWNOFSA-N 2 2 317.433 1.566 20 30 DDEDLP Cc1nsc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596901196 357011054 /nfs/dbraw/zinc/01/10/54/357011054.db2.gz GWSIKQWMIFZRJY-UHFFFAOYSA-N 2 2 324.454 1.328 20 30 DDEDLP Cc1nsc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596901196 357011057 /nfs/dbraw/zinc/01/10/57/357011057.db2.gz GWSIKQWMIFZRJY-UHFFFAOYSA-N 2 2 324.454 1.328 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460892 358992972 /nfs/dbraw/zinc/99/29/72/358992972.db2.gz GNCDGLWUGJVSQU-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602460892 358992976 /nfs/dbraw/zinc/99/29/76/358992976.db2.gz GNCDGLWUGJVSQU-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602950835 359316698 /nfs/dbraw/zinc/31/66/98/359316698.db2.gz OIIIQUIDHGGESM-OAHLLOKOSA-N 2 2 306.454 1.697 20 30 DDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910585 359701310 /nfs/dbraw/zinc/70/13/10/359701310.db2.gz VCZUHSPGNRLNDS-HRCADAONSA-N 2 2 312.417 1.473 20 30 DDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910585 359701314 /nfs/dbraw/zinc/70/13/14/359701314.db2.gz VCZUHSPGNRLNDS-HRCADAONSA-N 2 2 312.417 1.473 20 30 DDEDLP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000610812735 360542900 /nfs/dbraw/zinc/54/29/00/360542900.db2.gz LQAISXMCANLAHQ-UHFFFAOYSA-N 2 2 313.449 1.624 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000156523413 197119736 /nfs/dbraw/zinc/11/97/36/197119736.db2.gz ZSEMSWWCIRFEOO-AEFFLSMTSA-N 2 2 315.417 1.246 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000156523413 197119738 /nfs/dbraw/zinc/11/97/38/197119738.db2.gz ZSEMSWWCIRFEOO-AEFFLSMTSA-N 2 2 315.417 1.246 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000346411658 533239219 /nfs/dbraw/zinc/23/92/19/533239219.db2.gz KPGSSBBZWGZWMX-HOCLYGCPSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000346411658 533239223 /nfs/dbraw/zinc/23/92/23/533239223.db2.gz KPGSSBBZWGZWMX-HOCLYGCPSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000346411658 533239227 /nfs/dbraw/zinc/23/92/27/533239227.db2.gz KPGSSBBZWGZWMX-HOCLYGCPSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000346411658 533239232 /nfs/dbraw/zinc/23/92/32/533239232.db2.gz KPGSSBBZWGZWMX-HOCLYGCPSA-N 2 2 318.465 1.601 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nccc(C#N)n3)CC2)CC1 ZINC000568616100 304301264 /nfs/dbraw/zinc/30/12/64/304301264.db2.gz NFOXFOUCTVFPQR-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nccc(C#N)n3)CC2)CC1 ZINC000568616100 304301265 /nfs/dbraw/zinc/30/12/65/304301265.db2.gz NFOXFOUCTVFPQR-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905298 407552381 /nfs/dbraw/zinc/55/23/81/407552381.db2.gz FLQSNEMKPCNTGQ-CQSZACIVSA-N 3 2 304.442 1.272 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905298 407552386 /nfs/dbraw/zinc/55/23/86/407552386.db2.gz FLQSNEMKPCNTGQ-CQSZACIVSA-N 3 2 304.442 1.272 20 30 DDEDLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000268729848 408179646 /nfs/dbraw/zinc/17/96/46/408179646.db2.gz OBDHHXIEKOHSDY-KRWDZBQOSA-N 2 2 314.433 1.543 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264146034 408380836 /nfs/dbraw/zinc/38/08/36/408380836.db2.gz XWFJWARCJJKDIM-SJORKVTESA-N 3 2 317.481 1.678 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264146034 408380840 /nfs/dbraw/zinc/38/08/40/408380840.db2.gz XWFJWARCJJKDIM-SJORKVTESA-N 3 2 317.481 1.678 20 30 DDEDLP [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329545717 410352640 /nfs/dbraw/zinc/35/26/40/410352640.db2.gz GUNQYNANBBJSPP-RYUDHWBXSA-N 2 2 303.410 1.255 20 30 DDEDLP [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329545717 410352648 /nfs/dbraw/zinc/35/26/48/410352648.db2.gz GUNQYNANBBJSPP-RYUDHWBXSA-N 2 2 303.410 1.255 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355329935 410449530 /nfs/dbraw/zinc/44/95/30/410449530.db2.gz YNYTXWXPSLPRBV-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355329935 410449542 /nfs/dbraw/zinc/44/95/42/410449542.db2.gz YNYTXWXPSLPRBV-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330403061 410670843 /nfs/dbraw/zinc/67/08/43/410670843.db2.gz GJDKYONLFXKQFO-UHFFFAOYSA-N 2 2 312.458 1.620 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330403061 410670847 /nfs/dbraw/zinc/67/08/47/410670847.db2.gz GJDKYONLFXKQFO-UHFFFAOYSA-N 2 2 312.458 1.620 20 30 DDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000571511914 304466706 /nfs/dbraw/zinc/46/67/06/304466706.db2.gz IUDXOQFPCUBNDK-UHFFFAOYSA-N 2 2 318.402 1.208 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107362 196020306 /nfs/dbraw/zinc/02/03/06/196020306.db2.gz VPDPTICYQGXZBS-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107362 196020307 /nfs/dbraw/zinc/02/03/07/196020307.db2.gz VPDPTICYQGXZBS-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107362 196020309 /nfs/dbraw/zinc/02/03/09/196020309.db2.gz VPDPTICYQGXZBS-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000129107362 196020311 /nfs/dbraw/zinc/02/03/11/196020311.db2.gz VPDPTICYQGXZBS-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210924 418505273 /nfs/dbraw/zinc/50/52/73/418505273.db2.gz XBXSXFQKZIVUSJ-INIZCTEOSA-N 2 2 303.410 1.644 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245590104 222217764 /nfs/dbraw/zinc/21/77/64/222217764.db2.gz KOPOCIIJKANITA-QLFBSQMISA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245590104 222217766 /nfs/dbraw/zinc/21/77/66/222217766.db2.gz KOPOCIIJKANITA-QLFBSQMISA-N 2 2 303.410 1.527 20 30 DDEDLP CN1CC[NH+]=C1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000262656859 222287763 /nfs/dbraw/zinc/28/77/63/222287763.db2.gz LUIAWDXVVADVTH-OAHLLOKOSA-N 2 2 304.463 1.495 20 30 DDEDLP CN1CC[NH+]=C1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000262656859 222287766 /nfs/dbraw/zinc/28/77/66/222287766.db2.gz LUIAWDXVVADVTH-OAHLLOKOSA-N 2 2 304.463 1.495 20 30 DDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@H]1CCOC1 ZINC000262819861 222297217 /nfs/dbraw/zinc/29/72/17/222297217.db2.gz PMSZSELFPGTYDC-CQSZACIVSA-N 2 2 315.421 1.546 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264057333 222311539 /nfs/dbraw/zinc/31/15/39/222311539.db2.gz OFUVLLXSRNHPJL-INIZCTEOSA-N 2 2 302.422 1.215 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264057333 222311542 /nfs/dbraw/zinc/31/15/42/222311542.db2.gz OFUVLLXSRNHPJL-INIZCTEOSA-N 2 2 302.422 1.215 20 30 DDEDLP OC1(C[NH+]2CCOCC2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000365275755 418849126 /nfs/dbraw/zinc/84/91/26/418849126.db2.gz PNDWOAFDLMDFML-UHFFFAOYSA-N 2 2 314.429 1.197 20 30 DDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449549618 421026623 /nfs/dbraw/zinc/02/66/23/421026623.db2.gz ZNENRBWCPBYMGQ-CVEARBPZSA-N 2 2 310.438 1.727 20 30 DDEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000571198763 421696078 /nfs/dbraw/zinc/69/60/78/421696078.db2.gz YIBFOQCHDHRNDS-YVSFHVDLSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000571198763 421696080 /nfs/dbraw/zinc/69/60/80/421696080.db2.gz YIBFOQCHDHRNDS-YVSFHVDLSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@H+](C)CCC#N ZINC000571198763 421696084 /nfs/dbraw/zinc/69/60/84/421696084.db2.gz YIBFOQCHDHRNDS-YVSFHVDLSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000571198763 421696086 /nfs/dbraw/zinc/69/60/86/421696086.db2.gz YIBFOQCHDHRNDS-YVSFHVDLSA-N 2 2 310.486 1.149 20 30 DDEDLP Cc1[nH+]c2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2n1C ZINC000521995571 421810403 /nfs/dbraw/zinc/81/04/03/421810403.db2.gz IYIGUSFGFRHYMN-CQSZACIVSA-N 2 2 301.394 1.500 20 30 DDEDLP Cc1[nH+]c2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2n1C ZINC000521995571 421810406 /nfs/dbraw/zinc/81/04/06/421810406.db2.gz IYIGUSFGFRHYMN-CQSZACIVSA-N 2 2 301.394 1.500 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573100834 421917376 /nfs/dbraw/zinc/91/73/76/421917376.db2.gz CPUBQHBHQFZGSV-MRXNPFEDSA-N 2 2 317.433 1.714 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573100834 421917382 /nfs/dbraw/zinc/91/73/82/421917382.db2.gz CPUBQHBHQFZGSV-MRXNPFEDSA-N 2 2 317.433 1.714 20 30 DDEDLP C=CC(C)(C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636988510 421938626 /nfs/dbraw/zinc/93/86/26/421938626.db2.gz VTJFYUXBNQNXQA-UHFFFAOYSA-N 2 2 310.486 1.914 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935059 422222189 /nfs/dbraw/zinc/22/21/89/422222189.db2.gz MQTHLUBFHFHRGW-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935059 422222194 /nfs/dbraw/zinc/22/21/94/422222194.db2.gz MQTHLUBFHFHRGW-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935059 422222196 /nfs/dbraw/zinc/22/21/96/422222196.db2.gz MQTHLUBFHFHRGW-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@@H]21 ZINC000583935059 422222203 /nfs/dbraw/zinc/22/22/03/422222203.db2.gz MQTHLUBFHFHRGW-HOCLYGCPSA-N 2 2 310.405 1.517 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655712044 424641198 /nfs/dbraw/zinc/64/11/98/424641198.db2.gz LSNAWAVPSFKSFK-GOSISDBHSA-N 3 2 307.482 1.870 20 30 DDEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662693834 424738423 /nfs/dbraw/zinc/73/84/23/424738423.db2.gz LXSCDLWEPHRZID-QGZVFWFLSA-N 2 2 319.474 1.921 20 30 DDEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH2+]1 ZINC000662693834 424738425 /nfs/dbraw/zinc/73/84/25/424738425.db2.gz LXSCDLWEPHRZID-QGZVFWFLSA-N 2 2 319.474 1.921 20 30 DDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356140246 266115499 /nfs/dbraw/zinc/11/54/99/266115499.db2.gz TXGRERVDSPOMTD-CQSZACIVSA-N 2 2 308.451 1.947 20 30 DDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356140246 266115502 /nfs/dbraw/zinc/11/55/02/266115502.db2.gz TXGRERVDSPOMTD-CQSZACIVSA-N 2 2 308.451 1.947 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cnc12 ZINC000517761072 268318195 /nfs/dbraw/zinc/31/81/95/268318195.db2.gz ILZLZKHIYFMJRR-UHFFFAOYSA-N 2 2 310.405 1.565 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000372988401 289296186 /nfs/dbraw/zinc/29/61/86/289296186.db2.gz CKOWFCSVJREFQC-OAHLLOKOSA-N 2 2 305.426 1.058 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000372988401 289296189 /nfs/dbraw/zinc/29/61/89/289296189.db2.gz CKOWFCSVJREFQC-OAHLLOKOSA-N 2 2 305.426 1.058 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329739353 295384948 /nfs/dbraw/zinc/38/49/48/295384948.db2.gz NIDCOPSZJBFZQZ-CHWSQXEVSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329739353 295384950 /nfs/dbraw/zinc/38/49/50/295384950.db2.gz NIDCOPSZJBFZQZ-CHWSQXEVSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329739353 295384951 /nfs/dbraw/zinc/38/49/51/295384951.db2.gz NIDCOPSZJBFZQZ-CHWSQXEVSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329739353 295384953 /nfs/dbraw/zinc/38/49/53/295384953.db2.gz NIDCOPSZJBFZQZ-CHWSQXEVSA-N 2 2 303.410 1.351 20 30 DDEDLP C=C(C)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000352012663 336189097 /nfs/dbraw/zinc/18/90/97/336189097.db2.gz GECVILAKWCERTR-UHFFFAOYSA-N 2 2 317.437 1.401 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339174990 534281716 /nfs/dbraw/zinc/28/17/16/534281716.db2.gz NNDNDXWBGOUNMV-OIISXLGYSA-N 2 2 320.481 1.942 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339174990 534281718 /nfs/dbraw/zinc/28/17/18/534281718.db2.gz NNDNDXWBGOUNMV-OIISXLGYSA-N 2 2 320.481 1.942 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330250128 534763726 /nfs/dbraw/zinc/76/37/26/534763726.db2.gz HAWUQMJXEDOJIZ-ZIAGYGMSSA-N 2 2 314.393 1.473 20 30 DDEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2 ZINC000424142222 526814216 /nfs/dbraw/zinc/81/42/16/526814216.db2.gz DQMGBSZXLLGPKS-OLZOCXBDSA-N 2 2 317.437 1.633 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491689138 526821030 /nfs/dbraw/zinc/82/10/30/526821030.db2.gz GSFQYWYFSPOAOR-AWEZNQCLSA-N 2 2 303.410 1.126 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491689138 526821032 /nfs/dbraw/zinc/82/10/32/526821032.db2.gz GSFQYWYFSPOAOR-AWEZNQCLSA-N 2 2 303.410 1.126 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)CC1 ZINC000490740167 526947046 /nfs/dbraw/zinc/94/70/46/526947046.db2.gz IVOCKZLVFNTBHG-CVEARBPZSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)CC1 ZINC000490740167 526947050 /nfs/dbraw/zinc/94/70/50/526947050.db2.gz IVOCKZLVFNTBHG-CVEARBPZSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000491395768 526950730 /nfs/dbraw/zinc/95/07/30/526950730.db2.gz UXLKWCNMNHWISX-OAHLLOKOSA-N 2 2 317.408 1.562 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000491725634 526987781 /nfs/dbraw/zinc/98/77/81/526987781.db2.gz IERBQVKSYLUFJA-QAPCUYQASA-N 2 2 301.434 1.715 20 30 DDEDLP C=CCC(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000340429261 527018057 /nfs/dbraw/zinc/01/80/57/527018057.db2.gz IUOOOVCBDJVAIT-UHFFFAOYSA-N 2 2 309.498 1.975 20 30 DDEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000340429261 527018060 /nfs/dbraw/zinc/01/80/60/527018060.db2.gz IUOOOVCBDJVAIT-UHFFFAOYSA-N 2 2 309.498 1.975 20 30 DDEDLP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330445491 528973396 /nfs/dbraw/zinc/97/33/96/528973396.db2.gz VKQRUGJHPRMMGG-UHFFFAOYSA-N 2 2 312.458 1.085 20 30 DDEDLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330445491 528973404 /nfs/dbraw/zinc/97/34/04/528973404.db2.gz VKQRUGJHPRMMGG-UHFFFAOYSA-N 2 2 312.458 1.085 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213323 696709485 /nfs/dbraw/zinc/70/94/85/696709485.db2.gz GQWOZMKHTDKVGL-KKUMJFAQSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980213323 696709486 /nfs/dbraw/zinc/70/94/86/696709486.db2.gz GQWOZMKHTDKVGL-KKUMJFAQSA-N 2 2 300.406 1.111 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000971780916 695090764 /nfs/dbraw/zinc/09/07/64/695090764.db2.gz FSQDMPLVISLCAB-HNNXBMFYSA-N 2 2 303.406 1.742 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000971780916 695090768 /nfs/dbraw/zinc/09/07/68/695090768.db2.gz FSQDMPLVISLCAB-HNNXBMFYSA-N 2 2 303.406 1.742 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956411 695766016 /nfs/dbraw/zinc/76/60/16/695766016.db2.gz PEPCZDCXOSEJOC-ZBFHGGJFSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956411 695766018 /nfs/dbraw/zinc/76/60/18/695766018.db2.gz PEPCZDCXOSEJOC-ZBFHGGJFSA-N 2 2 314.433 1.214 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035885 695781819 /nfs/dbraw/zinc/78/18/19/695781819.db2.gz BZHRRMLWMFCQHT-HIFRSBDPSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035885 695781820 /nfs/dbraw/zinc/78/18/20/695781820.db2.gz BZHRRMLWMFCQHT-HIFRSBDPSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978706711 696443586 /nfs/dbraw/zinc/44/35/86/696443586.db2.gz FPYKTVQBMNORNP-QCODTGAPSA-N 2 2 314.433 1.394 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978706711 696443589 /nfs/dbraw/zinc/44/35/89/696443589.db2.gz FPYKTVQBMNORNP-QCODTGAPSA-N 2 2 314.433 1.394 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978938408 696477709 /nfs/dbraw/zinc/47/77/09/696477709.db2.gz XQFHLNLNCYLZIE-NNZMDNLPSA-N 2 2 322.412 1.966 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000978938408 696477711 /nfs/dbraw/zinc/47/77/11/696477711.db2.gz XQFHLNLNCYLZIE-NNZMDNLPSA-N 2 2 322.412 1.966 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980484821 696784087 /nfs/dbraw/zinc/78/40/87/696784087.db2.gz BEXHCGPINCDPLC-SJORKVTESA-N 2 2 316.449 1.793 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980484821 696784090 /nfs/dbraw/zinc/78/40/90/696784090.db2.gz BEXHCGPINCDPLC-SJORKVTESA-N 2 2 316.449 1.793 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989672312 698719523 /nfs/dbraw/zinc/71/95/23/698719523.db2.gz IPQDCOXQOGIANM-UONOGXRCSA-N 2 2 311.389 1.646 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991449920 699328386 /nfs/dbraw/zinc/32/83/86/699328386.db2.gz WPTMGSWKYMQLFI-UWWQBHOKSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991449920 699328389 /nfs/dbraw/zinc/32/83/89/699328389.db2.gz WPTMGSWKYMQLFI-UWWQBHOKSA-N 2 2 314.433 1.745 20 30 DDEDLP CC[N@H+](C[C@H](O)CC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000809574235 701671065 /nfs/dbraw/zinc/67/10/65/701671065.db2.gz HVNRLEIILRIPBN-MRXNPFEDSA-N 2 2 302.422 1.894 20 30 DDEDLP CC[N@@H+](C[C@H](O)CC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000809574235 701671067 /nfs/dbraw/zinc/67/10/67/701671067.db2.gz HVNRLEIILRIPBN-MRXNPFEDSA-N 2 2 302.422 1.894 20 30 DDEDLP C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852102157 703923469 /nfs/dbraw/zinc/92/34/69/703923469.db2.gz WLEGVSVWGZCQRF-YJBOKZPZSA-N 2 2 314.433 1.510 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000876775355 705871238 /nfs/dbraw/zinc/87/12/38/705871238.db2.gz VJDRCTTXOKKVLL-LLVKDONJSA-N 2 2 309.788 1.644 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000876775355 705871243 /nfs/dbraw/zinc/87/12/43/705871243.db2.gz VJDRCTTXOKKVLL-LLVKDONJSA-N 2 2 309.788 1.644 20 30 DDEDLP Cc1nccnc1[C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c1nccnc1C ZINC000880109234 706880363 /nfs/dbraw/zinc/88/03/63/706880363.db2.gz UFYAKEJDKSXUAH-OKILXGFUSA-N 2 2 324.432 1.888 20 30 DDEDLP Cc1nc(C#N)cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000881871353 707401793 /nfs/dbraw/zinc/40/17/93/707401793.db2.gz JTBQUFYGQHDCFB-UHFFFAOYSA-N 2 2 314.437 1.627 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3OCCCO3)CC2)cc1 ZINC000922281781 714011222 /nfs/dbraw/zinc/01/12/22/714011222.db2.gz YSSWZEXAOVARHP-UHFFFAOYSA-N 2 2 315.417 1.875 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960006095 716385877 /nfs/dbraw/zinc/38/58/77/716385877.db2.gz VSMVEFPZFDCOPS-HWWDLCQESA-N 2 2 314.433 1.384 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960006095 716385882 /nfs/dbraw/zinc/38/58/82/716385882.db2.gz VSMVEFPZFDCOPS-HWWDLCQESA-N 2 2 314.433 1.384 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960277690 716477512 /nfs/dbraw/zinc/47/75/12/716477512.db2.gz FLIIIJLMEATAFF-SFDCQRBFSA-N 2 2 320.824 1.559 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960277690 716477519 /nfs/dbraw/zinc/47/75/19/716477519.db2.gz FLIIIJLMEATAFF-SFDCQRBFSA-N 2 2 320.824 1.559 20 30 DDEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000960331720 716493269 /nfs/dbraw/zinc/49/32/69/716493269.db2.gz YGLFMMSSUPISPZ-SJLPKXTDSA-N 2 2 310.401 1.818 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000965159457 717558384 /nfs/dbraw/zinc/55/83/84/717558384.db2.gz GGADKERBDQUAON-BSGOTLCWSA-N 2 2 314.433 1.727 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557510 719211165 /nfs/dbraw/zinc/21/11/65/719211165.db2.gz YNKUHLWSWKMQSL-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557510 719211169 /nfs/dbraw/zinc/21/11/69/719211169.db2.gz YNKUHLWSWKMQSL-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000951758175 721168756 /nfs/dbraw/zinc/16/87/56/721168756.db2.gz RNUPCMKSUQPZRR-OAHLLOKOSA-N 2 2 316.449 1.863 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444011 721450209 /nfs/dbraw/zinc/45/02/09/721450209.db2.gz GSGPIIIPMWOLQT-NVXWUHKLSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444011 721450212 /nfs/dbraw/zinc/45/02/12/721450212.db2.gz GSGPIIIPMWOLQT-NVXWUHKLSA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571236 732519588 /nfs/dbraw/zinc/51/95/88/732519588.db2.gz HJMHYJJONSFLTC-IJLUTSLNSA-N 2 2 308.813 1.819 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126358 732955449 /nfs/dbraw/zinc/95/54/49/732955449.db2.gz LBBFWLODLFKVHL-WKILWMFISA-N 2 2 309.373 1.192 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638007 733391781 /nfs/dbraw/zinc/39/17/81/733391781.db2.gz GOPUDFZOHJGASC-HOTGVXAUSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638007 733391783 /nfs/dbraw/zinc/39/17/83/733391783.db2.gz GOPUDFZOHJGASC-HOTGVXAUSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677081 733433770 /nfs/dbraw/zinc/43/37/70/733433770.db2.gz GFPGJTCKMONLDK-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677081 733433775 /nfs/dbraw/zinc/43/37/75/733433775.db2.gz GFPGJTCKMONLDK-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677079 733433967 /nfs/dbraw/zinc/43/39/67/733433967.db2.gz GFPGJTCKMONLDK-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677079 733433968 /nfs/dbraw/zinc/43/39/68/733433968.db2.gz GFPGJTCKMONLDK-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203204254 734489827 /nfs/dbraw/zinc/48/98/27/734489827.db2.gz SZZJTNCRRLKPGR-LSDHHAIUSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468591 735042360 /nfs/dbraw/zinc/04/23/60/735042360.db2.gz KIQXEMDUDRWKDO-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203159443 735728353 /nfs/dbraw/zinc/72/83/53/735728353.db2.gz HLTXPYSLNONTEJ-HZPDHXFCSA-N 2 2 322.412 1.988 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001121458721 782516163 /nfs/dbraw/zinc/51/61/63/782516163.db2.gz SODDOCTYHLEMIV-UHFFFAOYSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304944 736414702 /nfs/dbraw/zinc/41/47/02/736414702.db2.gz RITQNWPJOQSGIN-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304944 736414704 /nfs/dbraw/zinc/41/47/04/736414704.db2.gz RITQNWPJOQSGIN-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001026558632 737661189 /nfs/dbraw/zinc/66/11/89/737661189.db2.gz LDCIAMIDOCJUQV-RUXDESIVSA-N 2 2 300.406 1.480 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027471907 738325164 /nfs/dbraw/zinc/32/51/64/738325164.db2.gz WRXTXDDALBWMOJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027471907 738325166 /nfs/dbraw/zinc/32/51/66/738325166.db2.gz WRXTXDDALBWMOJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471907 738325171 /nfs/dbraw/zinc/32/51/71/738325171.db2.gz WRXTXDDALBWMOJ-HUUCEWRRSA-N 2 2 314.433 1.379 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032591432 751462131 /nfs/dbraw/zinc/46/21/31/751462131.db2.gz VSACBVZNPXLFCZ-BPUTZDHNSA-N 2 2 300.406 1.225 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032591432 751462133 /nfs/dbraw/zinc/46/21/33/751462133.db2.gz VSACBVZNPXLFCZ-BPUTZDHNSA-N 2 2 300.406 1.225 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028637011 739824217 /nfs/dbraw/zinc/82/42/17/739824217.db2.gz KTAKXRDWXJWPBW-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028637011 739824221 /nfs/dbraw/zinc/82/42/21/739824221.db2.gz KTAKXRDWXJWPBW-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001029342276 740581949 /nfs/dbraw/zinc/58/19/49/740581949.db2.gz GZXHNZUWPPVRAK-NCOADZHNSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001029342276 740581950 /nfs/dbraw/zinc/58/19/50/740581950.db2.gz GZXHNZUWPPVRAK-NCOADZHNSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001029342276 740581954 /nfs/dbraw/zinc/58/19/54/740581954.db2.gz GZXHNZUWPPVRAK-NCOADZHNSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001029342276 740581957 /nfs/dbraw/zinc/58/19/57/740581957.db2.gz GZXHNZUWPPVRAK-NCOADZHNSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029342202 740582322 /nfs/dbraw/zinc/58/23/22/740582322.db2.gz BNTXAQJGDYMSIJ-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029342202 740582323 /nfs/dbraw/zinc/58/23/23/740582323.db2.gz BNTXAQJGDYMSIJ-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029342202 740582327 /nfs/dbraw/zinc/58/23/27/740582327.db2.gz BNTXAQJGDYMSIJ-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029342202 740582331 /nfs/dbraw/zinc/58/23/31/740582331.db2.gz BNTXAQJGDYMSIJ-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187246 741100543 /nfs/dbraw/zinc/10/05/43/741100543.db2.gz NSAKCYNGHCKVKA-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187246 741100544 /nfs/dbraw/zinc/10/05/44/741100544.db2.gz NSAKCYNGHCKVKA-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337458 741410245 /nfs/dbraw/zinc/41/02/45/741410245.db2.gz GPJGTJWGOQFGCK-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337986 741410666 /nfs/dbraw/zinc/41/06/66/741410666.db2.gz RZMXPXBEAINDKI-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001088386856 741455271 /nfs/dbraw/zinc/45/52/71/741455271.db2.gz ZUKLBHMOOPPEFP-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967741 742289361 /nfs/dbraw/zinc/28/93/61/742289361.db2.gz UEXIRNXFWHSVAB-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967741 742289363 /nfs/dbraw/zinc/28/93/63/742289363.db2.gz UEXIRNXFWHSVAB-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651753 744078171 /nfs/dbraw/zinc/07/81/71/744078171.db2.gz HZNZXOYIURIFOW-ZBFHGGJFSA-N 2 2 316.449 1.634 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501384 744237986 /nfs/dbraw/zinc/23/79/86/744237986.db2.gz DOHDNFLOKIFKEL-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001185918521 744314647 /nfs/dbraw/zinc/31/46/47/744314647.db2.gz MMBKCEGLPMPJJG-MRXNPFEDSA-N 2 2 308.385 1.194 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035808248 751912646 /nfs/dbraw/zinc/91/26/46/751912646.db2.gz 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C=C(Cl)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050731130 763972286 /nfs/dbraw/zinc/97/22/86/763972286.db2.gz VHNVEOJCDOKAOE-UHFFFAOYSA-N 2 2 322.840 1.640 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001050912570 764267821 /nfs/dbraw/zinc/26/78/21/764267821.db2.gz FNLFYHGYPDLVFP-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001050912570 764267824 /nfs/dbraw/zinc/26/78/24/764267824.db2.gz FNLFYHGYPDLVFP-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050912570 764267827 /nfs/dbraw/zinc/26/78/27/764267827.db2.gz FNLFYHGYPDLVFP-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050912570 764267829 /nfs/dbraw/zinc/26/78/29/764267829.db2.gz FNLFYHGYPDLVFP-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC/C=C/CC)CC1 ZINC001112977016 765076583 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DDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001113135343 765310674 /nfs/dbraw/zinc/31/06/74/765310674.db2.gz GUWJBBQZDVTADY-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276074 765662541 /nfs/dbraw/zinc/66/25/41/765662541.db2.gz WOCKMYOMCCXJRN-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276074 765662545 /nfs/dbraw/zinc/66/25/45/765662545.db2.gz WOCKMYOMCCXJRN-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276074 765662547 /nfs/dbraw/zinc/66/25/47/765662547.db2.gz WOCKMYOMCCXJRN-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276074 765662550 /nfs/dbraw/zinc/66/25/50/765662550.db2.gz WOCKMYOMCCXJRN-UONOGXRCSA-N 2 2 315.845 1.040 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419072 765675709 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1.481 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045483841 766342061 /nfs/dbraw/zinc/34/20/61/766342061.db2.gz RJHPRESVXPSNOT-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045945360 766728655 /nfs/dbraw/zinc/72/86/55/766728655.db2.gz VBHTUUHOOXIIMF-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045945360 766728658 /nfs/dbraw/zinc/72/86/58/766728658.db2.gz VBHTUUHOOXIIMF-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045945360 766728659 /nfs/dbraw/zinc/72/86/59/766728659.db2.gz VBHTUUHOOXIIMF-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045945360 766728662 /nfs/dbraw/zinc/72/86/62/766728662.db2.gz VBHTUUHOOXIIMF-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975575 766754282 /nfs/dbraw/zinc/75/42/82/766754282.db2.gz CNKXUHHKSHYTGF-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975575 766754288 /nfs/dbraw/zinc/75/42/88/766754288.db2.gz CNKXUHHKSHYTGF-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405212 767500874 /nfs/dbraw/zinc/50/08/74/767500874.db2.gz ZVKLPALULCIOTE-KRWDZBQOSA-N 2 2 322.412 1.203 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426031 767547015 /nfs/dbraw/zinc/54/70/15/767547015.db2.gz MGYZOHFDHRAMSS-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426031 767547019 /nfs/dbraw/zinc/54/70/19/767547019.db2.gz MGYZOHFDHRAMSS-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435184 767564221 /nfs/dbraw/zinc/56/42/21/767564221.db2.gz YVKIYNXJGFZODU-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435184 767564226 /nfs/dbraw/zinc/56/42/26/767564226.db2.gz YVKIYNXJGFZODU-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825450 768392349 /nfs/dbraw/zinc/39/23/49/768392349.db2.gz PITHGFGJPGHWNK-NVXWUHKLSA-N 2 2 323.481 1.548 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131825450 768392360 /nfs/dbraw/zinc/39/23/60/768392360.db2.gz PITHGFGJPGHWNK-NVXWUHKLSA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195002 769578616 /nfs/dbraw/zinc/57/86/16/769578616.db2.gz NUHRFXRUQIOXSM-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629040 769747216 /nfs/dbraw/zinc/74/72/16/769747216.db2.gz VYUOCGWYONIQEZ-KGLIPLIRSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629040 769747225 /nfs/dbraw/zinc/74/72/25/769747225.db2.gz VYUOCGWYONIQEZ-KGLIPLIRSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433373 770015412 /nfs/dbraw/zinc/01/54/12/770015412.db2.gz NTMWIIWBBVFMPN-KBMXLJTQSA-N 2 2 302.422 1.948 20 30 DDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433373 770015426 /nfs/dbraw/zinc/01/54/26/770015426.db2.gz NTMWIIWBBVFMPN-KBMXLJTQSA-N 2 2 302.422 1.948 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048905675 770092182 /nfs/dbraw/zinc/09/21/82/770092182.db2.gz DNOCGJWXSXPXPG-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048905675 770092200 /nfs/dbraw/zinc/09/22/00/770092200.db2.gz DNOCGJWXSXPXPG-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227505 770794050 /nfs/dbraw/zinc/79/40/50/770794050.db2.gz IABPZTUPGWZMCX-KBPBESRZSA-N 2 2 308.426 1.418 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC ZINC001049528240 770981285 /nfs/dbraw/zinc/98/12/85/770981285.db2.gz CRIYKUZADPHEKM-KURKYZTESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049528240 770981288 /nfs/dbraw/zinc/98/12/88/770981288.db2.gz CRIYKUZADPHEKM-KURKYZTESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC ZINC001049528240 770981292 /nfs/dbraw/zinc/98/12/92/770981292.db2.gz CRIYKUZADPHEKM-KURKYZTESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC ZINC001049528240 770981295 /nfs/dbraw/zinc/98/12/95/770981295.db2.gz CRIYKUZADPHEKM-KURKYZTESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001049528749 770982846 /nfs/dbraw/zinc/98/28/46/770982846.db2.gz IFPPYZSSTLRAAC-ZACQAIPSSA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049528749 770982855 /nfs/dbraw/zinc/98/28/55/770982855.db2.gz IFPPYZSSTLRAAC-ZACQAIPSSA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCF ZINC001049528749 770982861 /nfs/dbraw/zinc/98/28/61/770982861.db2.gz IFPPYZSSTLRAAC-ZACQAIPSSA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCF ZINC001049528749 770982866 /nfs/dbraw/zinc/98/28/66/770982866.db2.gz IFPPYZSSTLRAAC-ZACQAIPSSA-N 2 2 321.440 1.509 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(N(C)C)n1 ZINC001171068165 772218636 /nfs/dbraw/zinc/21/86/36/772218636.db2.gz VKIXIYYVXRCAMZ-LBPRGKRZSA-N 2 2 307.398 1.181 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098774211 774669615 /nfs/dbraw/zinc/66/96/15/774669615.db2.gz WUBQQPGBDQCOBT-BQFCYCMXSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098774211 774669617 /nfs/dbraw/zinc/66/96/17/774669617.db2.gz WUBQQPGBDQCOBT-BQFCYCMXSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774211 774669621 /nfs/dbraw/zinc/66/96/21/774669621.db2.gz WUBQQPGBDQCOBT-BQFCYCMXSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774211 774669625 /nfs/dbraw/zinc/66/96/25/774669625.db2.gz WUBQQPGBDQCOBT-BQFCYCMXSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440288 776158223 /nfs/dbraw/zinc/15/82/23/776158223.db2.gz QBBOUOIGYATRHW-UHFFFAOYSA-N 2 2 303.406 1.693 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577355 776350361 /nfs/dbraw/zinc/35/03/61/776350361.db2.gz RCZNWYMJTQTZBH-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595998 776361281 /nfs/dbraw/zinc/36/12/81/776361281.db2.gz IMLKLZVCSSELTC-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C[C@H](CCCC#N)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001172496187 776801274 /nfs/dbraw/zinc/80/12/74/776801274.db2.gz YKTZGGQWIJBWFM-CQSZACIVSA-N 2 2 313.409 1.811 20 30 DDEDLP C[C@H](CCCC#N)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001172496187 776801286 /nfs/dbraw/zinc/80/12/86/776801286.db2.gz YKTZGGQWIJBWFM-CQSZACIVSA-N 2 2 313.409 1.811 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CC[NH3+])C[C@H]1C#N ZINC001172967698 776946068 /nfs/dbraw/zinc/94/60/68/776946068.db2.gz ABXJJHWXCBMDQN-OLZOCXBDSA-N 2 2 319.409 1.848 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360266 777763326 /nfs/dbraw/zinc/76/33/26/777763326.db2.gz ZLAFIZPIYAKBAT-BZUAXINKSA-N 2 2 316.449 1.812 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084978 777863187 /nfs/dbraw/zinc/86/31/87/777863187.db2.gz RZQPISJIZNRLLU-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084978 777863195 /nfs/dbraw/zinc/86/31/95/777863195.db2.gz RZQPISJIZNRLLU-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162931 778682439 /nfs/dbraw/zinc/68/24/39/778682439.db2.gz QBKGJIBHTPUGLC-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162931 778682442 /nfs/dbraw/zinc/68/24/42/778682442.db2.gz QBKGJIBHTPUGLC-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179019130 779248001 /nfs/dbraw/zinc/24/80/01/779248001.db2.gz SCHWINDRNNSJRZ-ZNMIVQPWSA-N 2 2 300.406 1.048 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001271770451 844097594 /nfs/dbraw/zinc/09/75/94/844097594.db2.gz PUEPMFFKYKUGBY-WKILWMFISA-N 2 2 316.449 1.878 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001271770451 844097605 /nfs/dbraw/zinc/09/76/05/844097605.db2.gz PUEPMFFKYKUGBY-WKILWMFISA-N 2 2 316.449 1.878 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355744 836164669 /nfs/dbraw/zinc/16/46/69/836164669.db2.gz NFYIBNHIHXTIOH-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355744 836164672 /nfs/dbraw/zinc/16/46/72/836164672.db2.gz NFYIBNHIHXTIOH-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP CC#CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001267521501 838241233 /nfs/dbraw/zinc/24/12/33/838241233.db2.gz SMOTYWREUXDLFP-QGZVFWFLSA-N 2 2 310.401 1.662 20 30 DDEDLP C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267604631 838423176 /nfs/dbraw/zinc/42/31/76/838423176.db2.gz YZLBOHJZWBCROV-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=C(C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267604631 838423181 /nfs/dbraw/zinc/42/31/81/838423181.db2.gz YZLBOHJZWBCROV-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001267711601 838698145 /nfs/dbraw/zinc/69/81/45/838698145.db2.gz BCQSVHLRWVGQMV-ROUUACIJSA-N 2 2 313.445 1.632 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001267711601 838698151 /nfs/dbraw/zinc/69/81/51/838698151.db2.gz BCQSVHLRWVGQMV-ROUUACIJSA-N 2 2 313.445 1.632 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001267711601 838698156 /nfs/dbraw/zinc/69/81/56/838698156.db2.gz BCQSVHLRWVGQMV-ROUUACIJSA-N 2 2 313.445 1.632 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001267711601 838698160 /nfs/dbraw/zinc/69/81/60/838698160.db2.gz BCQSVHLRWVGQMV-ROUUACIJSA-N 2 2 313.445 1.632 20 30 DDEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001267964781 839283385 /nfs/dbraw/zinc/28/33/85/839283385.db2.gz HANAZPMROOJZIE-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001268181904 839804681 /nfs/dbraw/zinc/80/46/81/839804681.db2.gz YRAFXHIMGJYQSV-HUUCEWRRSA-N 2 2 316.449 1.927 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)on1 ZINC001268372234 840074798 /nfs/dbraw/zinc/07/47/98/840074798.db2.gz HOYOBKQVBBTXFV-BBRMVZONSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)on1 ZINC001268372234 840074804 /nfs/dbraw/zinc/07/48/04/840074804.db2.gz HOYOBKQVBBTXFV-BBRMVZONSA-N 2 2 318.421 1.065 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735017 840736027 /nfs/dbraw/zinc/73/60/27/840736027.db2.gz CONFEAGDBKICNN-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735017 840736023 /nfs/dbraw/zinc/73/60/23/840736023.db2.gz CONFEAGDBKICNN-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268736351 840740830 /nfs/dbraw/zinc/74/08/30/840740830.db2.gz RGJNKDMUHDFRLR-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268736351 840740838 /nfs/dbraw/zinc/74/08/38/840740838.db2.gz RGJNKDMUHDFRLR-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270590477 842696024 /nfs/dbraw/zinc/69/60/24/842696024.db2.gz OVKFZNQUDCWRAC-GOSISDBHSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270590477 842696028 /nfs/dbraw/zinc/69/60/28/842696028.db2.gz OVKFZNQUDCWRAC-GOSISDBHSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001326655685 861513852 /nfs/dbraw/zinc/51/38/52/861513852.db2.gz PEBOVJIZIOWCAO-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326655685 861513860 /nfs/dbraw/zinc/51/38/60/861513860.db2.gz PEBOVJIZIOWCAO-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001326655685 861513885 /nfs/dbraw/zinc/51/38/85/861513885.db2.gz PEBOVJIZIOWCAO-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001272591102 846369768 /nfs/dbraw/zinc/36/97/68/846369768.db2.gz PGLABCJNWMIVOT-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001272591102 846369770 /nfs/dbraw/zinc/36/97/70/846369770.db2.gz PGLABCJNWMIVOT-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274980 848225872 /nfs/dbraw/zinc/22/58/72/848225872.db2.gz WQKNVHMTODOAJI-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274980 848225874 /nfs/dbraw/zinc/22/58/74/848225874.db2.gz WQKNVHMTODOAJI-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278072 848238081 /nfs/dbraw/zinc/23/80/81/848238081.db2.gz HKBCHRRDVDNKPK-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278072 848238088 /nfs/dbraw/zinc/23/80/88/848238088.db2.gz HKBCHRRDVDNKPK-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034400486 848465190 /nfs/dbraw/zinc/46/51/90/848465190.db2.gz RJXJMTJJOPROGY-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034400486 848465197 /nfs/dbraw/zinc/46/51/97/848465197.db2.gz RJXJMTJJOPROGY-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380791 862208668 /nfs/dbraw/zinc/20/86/68/862208668.db2.gz ZVYPQNIVPHECDA-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380791 862208685 /nfs/dbraw/zinc/20/86/85/862208685.db2.gz ZVYPQNIVPHECDA-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275036075 852764653 /nfs/dbraw/zinc/76/46/53/852764653.db2.gz MBWAZJLRTJYCBC-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275036075 852764656 /nfs/dbraw/zinc/76/46/56/852764656.db2.gz MBWAZJLRTJYCBC-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC001276003842 854130674 /nfs/dbraw/zinc/13/06/74/854130674.db2.gz URFSAELLTYOQMB-MRXNPFEDSA-N 2 2 324.428 1.680 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC001276003842 854130681 /nfs/dbraw/zinc/13/06/81/854130681.db2.gz URFSAELLTYOQMB-MRXNPFEDSA-N 2 2 324.428 1.680 20 30 DDEDLP C[NH+](C)C1(CNc2ncnc(Cl)c2C#N)CC[NH+](C)CC1 ZINC001156177061 862777611 /nfs/dbraw/zinc/77/76/11/862777611.db2.gz ZBEHVFHFOWMTIQ-UHFFFAOYSA-N 2 2 308.817 1.440 20 30 DDEDLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4ccc(C#N)cc34)C2)CC1 ZINC001140117737 860577527 /nfs/dbraw/zinc/57/75/27/860577527.db2.gz XSOYWDOSMOMHND-UHFFFAOYSA-N 2 2 309.417 1.471 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC001140684885 860674933 /nfs/dbraw/zinc/67/49/33/860674933.db2.gz TWIRFPJRACPFCF-UHFFFAOYSA-N 2 2 319.449 1.564 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478406 863909281 /nfs/dbraw/zinc/90/92/81/863909281.db2.gz WRMSHDVUGOKEHA-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478406 863909289 /nfs/dbraw/zinc/90/92/89/863909289.db2.gz WRMSHDVUGOKEHA-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP N#Cc1cc(Cl)cnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158262892 864526379 /nfs/dbraw/zinc/52/63/79/864526379.db2.gz WXDPTSFZOPVOIJ-CYBMUJFWSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)cnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158262892 864526381 /nfs/dbraw/zinc/52/63/81/864526381.db2.gz WXDPTSFZOPVOIJ-CYBMUJFWSA-N 2 2 305.813 1.608 20 30 DDEDLP Cc1[nH+]c(N2CCO[C@H](C[NH+]3CCCC3)C2)ccc1CC#N ZINC001158306065 864560794 /nfs/dbraw/zinc/56/07/94/864560794.db2.gz LEJDRMAMBNNKLJ-MRXNPFEDSA-N 2 2 300.406 1.757 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158793994 864908473 /nfs/dbraw/zinc/90/84/73/864908473.db2.gz BPTDGUUAOVGBII-OAHLLOKOSA-N 2 2 302.422 1.597 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158793994 864908476 /nfs/dbraw/zinc/90/84/76/864908476.db2.gz BPTDGUUAOVGBII-OAHLLOKOSA-N 2 2 302.422 1.597 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC001332426367 865833915 /nfs/dbraw/zinc/83/39/15/865833915.db2.gz CIKZOQZQYYYCIY-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001332426367 865833929 /nfs/dbraw/zinc/83/39/29/865833929.db2.gz CIKZOQZQYYYCIY-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP CN(C)C(=O)OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC001324461707 867290913 /nfs/dbraw/zinc/29/09/13/867290913.db2.gz BLCLJAYZMDUCFN-UHFFFAOYSA-N 2 2 308.382 1.083 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001324483511 867303586 /nfs/dbraw/zinc/30/35/86/867303586.db2.gz QXUCVQJFLHFDFU-MRXNPFEDSA-N 2 2 316.449 1.641 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946932 867936914 /nfs/dbraw/zinc/93/69/14/867936914.db2.gz TZNPGCQLFGYYPT-UHFFFAOYSA-N 2 2 310.401 1.246 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001162982939 867974170 /nfs/dbraw/zinc/97/41/70/867974170.db2.gz SBXXVVCIEOBSHA-UHFFFAOYSA-N 2 2 324.428 1.257 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001335456799 868310807 /nfs/dbraw/zinc/31/08/07/868310807.db2.gz HJNGWGNXSMPIKP-ROUUACIJSA-N 2 2 302.418 1.158 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001276439700 870927089 /nfs/dbraw/zinc/92/70/89/870927089.db2.gz JBLIAFSUHRETCR-KBPBESRZSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001276439700 870927100 /nfs/dbraw/zinc/92/71/00/870927100.db2.gz JBLIAFSUHRETCR-KBPBESRZSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317842394 871578914 /nfs/dbraw/zinc/57/89/14/871578914.db2.gz QJWBWGMZSBNLGF-OAHLLOKOSA-N 2 2 317.433 1.989 20 30 DDEDLP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317842394 871578929 /nfs/dbraw/zinc/57/89/29/871578929.db2.gz QJWBWGMZSBNLGF-OAHLLOKOSA-N 2 2 317.433 1.989 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853430 871593887 /nfs/dbraw/zinc/59/38/87/871593887.db2.gz LATPULHOJUTHRR-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853430 871593891 /nfs/dbraw/zinc/59/38/91/871593891.db2.gz LATPULHOJUTHRR-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853430 871593901 /nfs/dbraw/zinc/59/39/01/871593901.db2.gz LATPULHOJUTHRR-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853430 871593911 /nfs/dbraw/zinc/59/39/11/871593911.db2.gz LATPULHOJUTHRR-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556128 871627771 /nfs/dbraw/zinc/62/77/71/871627771.db2.gz LJZOLYGMZSZCEH-OAHLLOKOSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556128 871627785 /nfs/dbraw/zinc/62/77/85/871627785.db2.gz LJZOLYGMZSZCEH-OAHLLOKOSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905611 872739417 /nfs/dbraw/zinc/73/94/17/872739417.db2.gz FGJLPORNSSPBDB-UHFFFAOYSA-N 2 2 324.856 1.933 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC001346277333 873682269 /nfs/dbraw/zinc/68/22/69/873682269.db2.gz WBPURZBHOGUCGT-GOSISDBHSA-N 2 2 316.445 1.730 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407631 874117610 /nfs/dbraw/zinc/11/76/10/874117610.db2.gz GEZGDQRCLNZFQC-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208454555 874158038 /nfs/dbraw/zinc/15/80/38/874158038.db2.gz XYOIXMYCDOLVCA-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211189323 875706221 /nfs/dbraw/zinc/70/62/21/875706221.db2.gz YSQHFSGIKFDBOY-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555196 875978776 /nfs/dbraw/zinc/97/87/76/875978776.db2.gz BFDSXHXPMXJTLP-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555196 875978792 /nfs/dbraw/zinc/97/87/92/875978792.db2.gz BFDSXHXPMXJTLP-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555196 875978812 /nfs/dbraw/zinc/97/88/12/875978812.db2.gz BFDSXHXPMXJTLP-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555196 875978827 /nfs/dbraw/zinc/97/88/27/875978827.db2.gz BFDSXHXPMXJTLP-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977400 876118163 /nfs/dbraw/zinc/11/81/63/876118163.db2.gz AZJLBTJFKVNXHC-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977400 876118169 /nfs/dbraw/zinc/11/81/69/876118169.db2.gz AZJLBTJFKVNXHC-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023399 879452463 /nfs/dbraw/zinc/45/24/63/879452463.db2.gz KDTLYNYMQDJJOK-KRWDZBQOSA-N 2 2 323.400 1.666 20 30 DDEDLP C#CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281844819 889560516 /nfs/dbraw/zinc/56/05/16/889560516.db2.gz FBTSNEGHVRGLGR-UHFFFAOYSA-N 2 2 302.422 1.156 20 30 DDEDLP C#CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281844819 889560527 /nfs/dbraw/zinc/56/05/27/889560527.db2.gz FBTSNEGHVRGLGR-UHFFFAOYSA-N 2 2 302.422 1.156 20 30 DDEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246004308 892322593 /nfs/dbraw/zinc/32/25/93/892322593.db2.gz BLERLXCRESTHMX-CABCVRRESA-N 2 2 302.459 1.968 20 30 DDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246546707 892689421 /nfs/dbraw/zinc/68/94/21/892689421.db2.gz DSNXVMIKWRVANQ-RDJZCZTQSA-N 2 2 307.438 1.849 20 30 DDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246546707 892689434 /nfs/dbraw/zinc/68/94/34/892689434.db2.gz DSNXVMIKWRVANQ-RDJZCZTQSA-N 2 2 307.438 1.849 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001278912731 897291793 /nfs/dbraw/zinc/29/17/93/897291793.db2.gz WSCWLUIWCALELZ-HUUCEWRRSA-N 2 2 302.422 1.705 20 30 DDEDLP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001278912731 897291811 /nfs/dbraw/zinc/29/18/11/897291811.db2.gz WSCWLUIWCALELZ-HUUCEWRRSA-N 2 2 302.422 1.705 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001278912731 897291831 /nfs/dbraw/zinc/29/18/31/897291831.db2.gz WSCWLUIWCALELZ-HUUCEWRRSA-N 2 2 302.422 1.705 20 30 DDEDLP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001278912731 897291848 /nfs/dbraw/zinc/29/18/48/897291848.db2.gz WSCWLUIWCALELZ-HUUCEWRRSA-N 2 2 302.422 1.705 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001265812912 902428269 /nfs/dbraw/zinc/42/82/69/902428269.db2.gz GWTYPTJIFYUOFK-RDJZCZTQSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001265812912 902428279 /nfs/dbraw/zinc/42/82/79/902428279.db2.gz GWTYPTJIFYUOFK-RDJZCZTQSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001265939973 902627569 /nfs/dbraw/zinc/62/75/69/902627569.db2.gz FSKOPOYYBSZWQF-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989911 902717547 /nfs/dbraw/zinc/71/75/47/902717547.db2.gz KGGQDAASLSADQU-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001280275015 903576610 /nfs/dbraw/zinc/57/66/10/903576610.db2.gz VNYWFBFOABBEMM-ZDUSSCGKSA-N 2 2 310.829 1.841 20 30 DDEDLP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001280354147 903604630 /nfs/dbraw/zinc/60/46/30/903604630.db2.gz KACSQEJDIWLNGZ-CQSZACIVSA-N 2 2 310.401 1.943 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001281943338 905342039 /nfs/dbraw/zinc/34/20/39/905342039.db2.gz YZKRROVOXJBRTC-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001281943338 905342057 /nfs/dbraw/zinc/34/20/57/905342057.db2.gz YZKRROVOXJBRTC-WBVHZDCISA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001282677751 905937887 /nfs/dbraw/zinc/93/78/87/905937887.db2.gz GTJJFSOEWAMFLC-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001282677751 905937907 /nfs/dbraw/zinc/93/79/07/905937907.db2.gz GTJJFSOEWAMFLC-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283202767 906875968 /nfs/dbraw/zinc/87/59/68/906875968.db2.gz LNFUGFCMAYNRPX-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001373210202 909212628 /nfs/dbraw/zinc/21/26/28/909212628.db2.gz XWBUADMRYDEXDJ-AWEZNQCLSA-N 2 2 324.856 1.933 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001373210202 909212639 /nfs/dbraw/zinc/21/26/39/909212639.db2.gz XWBUADMRYDEXDJ-AWEZNQCLSA-N 2 2 324.856 1.933 20 30 DDEDLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328790320 539299004 /nfs/dbraw/zinc/29/90/04/539299004.db2.gz QFOZRVXFSXJMEH-AWEZNQCLSA-N 2 2 319.453 1.955 20 30 DDEDLP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328790320 539299006 /nfs/dbraw/zinc/29/90/06/539299006.db2.gz QFOZRVXFSXJMEH-AWEZNQCLSA-N 2 2 319.453 1.955 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433011583 530068384 /nfs/dbraw/zinc/06/83/84/530068384.db2.gz GRPFIGHLOSHFPZ-QGZVFWFLSA-N 2 2 314.433 1.785 20 30 DDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344379992 530070297 /nfs/dbraw/zinc/07/02/97/530070297.db2.gz OGOZGQUDNSYNOM-KRWDZBQOSA-N 2 2 316.449 1.705 20 30 DDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344379992 530070298 /nfs/dbraw/zinc/07/02/98/530070298.db2.gz OGOZGQUDNSYNOM-KRWDZBQOSA-N 2 2 316.449 1.705 20 30 DDEDLP CC(C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000085262476 353731644 /nfs/dbraw/zinc/73/16/44/353731644.db2.gz GQXYICCFFRQYDS-UHFFFAOYSA-N 2 2 305.422 1.936 20 30 DDEDLP N#Cc1cnn2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cnc12 ZINC000584781436 354767175 /nfs/dbraw/zinc/76/71/75/354767175.db2.gz ONYQPYYJQMDVBS-UHFFFAOYSA-N 2 2 307.361 1.704 20 30 DDEDLP CC[C@@H](C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000593488506 355900524 /nfs/dbraw/zinc/90/05/24/355900524.db2.gz KBVWIWZNCZRSOW-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450582 356220551 /nfs/dbraw/zinc/22/05/51/356220551.db2.gz RSVWNRFCJLELFJ-HNNXBMFYSA-N 2 2 300.406 1.333 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)C1 ZINC000330232133 283164822 /nfs/dbraw/zinc/16/48/22/283164822.db2.gz XFQFGPJUPKEOQO-WBMJQRKESA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)C1 ZINC000330232133 283164827 /nfs/dbraw/zinc/16/48/27/283164827.db2.gz XFQFGPJUPKEOQO-WBMJQRKESA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)C1 ZINC000330232133 283164831 /nfs/dbraw/zinc/16/48/31/283164831.db2.gz XFQFGPJUPKEOQO-WBMJQRKESA-N 2 2 303.410 1.209 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)C1 ZINC000330232133 283164835 /nfs/dbraw/zinc/16/48/35/283164835.db2.gz XFQFGPJUPKEOQO-WBMJQRKESA-N 2 2 303.410 1.209 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000602507189 359018441 /nfs/dbraw/zinc/01/84/41/359018441.db2.gz CNQCNDMTSMUWSA-LJQANCHMSA-N 2 2 322.412 1.462 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000602507189 359018443 /nfs/dbraw/zinc/01/84/43/359018443.db2.gz CNQCNDMTSMUWSA-LJQANCHMSA-N 2 2 322.412 1.462 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898619 359280292 /nfs/dbraw/zinc/28/02/92/359280292.db2.gz HIBYRKMMDYUHPK-KRWDZBQOSA-N 2 2 316.449 1.747 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898619 359280293 /nfs/dbraw/zinc/28/02/93/359280293.db2.gz HIBYRKMMDYUHPK-KRWDZBQOSA-N 2 2 316.449 1.747 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602978377 359337242 /nfs/dbraw/zinc/33/72/42/359337242.db2.gz PSCYTFZQEHSCNV-HOCLYGCPSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602978377 359337246 /nfs/dbraw/zinc/33/72/46/359337246.db2.gz PSCYTFZQEHSCNV-HOCLYGCPSA-N 2 2 306.454 1.599 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258169 360278333 /nfs/dbraw/zinc/27/83/33/360278333.db2.gz NRABBYNNPAJQRY-GOEBONIOSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258169 360278337 /nfs/dbraw/zinc/27/83/37/360278337.db2.gz NRABBYNNPAJQRY-GOEBONIOSA-N 2 2 301.394 1.328 20 30 DDEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)CC1 ZINC000289810482 221240671 /nfs/dbraw/zinc/24/06/71/221240671.db2.gz NLFCBJQFFKDMRN-UHFFFAOYSA-N 2 2 316.405 1.137 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000123291449 407324791 /nfs/dbraw/zinc/32/47/91/407324791.db2.gz YUWUBJUGPRGZGO-SFHVURJKSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000123291449 407324792 /nfs/dbraw/zinc/32/47/92/407324792.db2.gz YUWUBJUGPRGZGO-SFHVURJKSA-N 2 2 316.424 1.909 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000108707947 407389530 /nfs/dbraw/zinc/38/95/30/407389530.db2.gz XNIUNVSYOLLENO-UHFFFAOYSA-N 2 2 300.406 1.109 20 30 DDEDLP C#C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000186090515 407574277 /nfs/dbraw/zinc/57/42/77/407574277.db2.gz ZXLWXRPUPDFCGV-HNNXBMFYSA-N 2 2 306.454 1.258 20 30 DDEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042658 407949223 /nfs/dbraw/zinc/94/92/23/407949223.db2.gz WXXADKKEEXJRRA-ARFHVFGLSA-N 2 2 309.454 1.110 20 30 DDEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000263266788 408082217 /nfs/dbraw/zinc/08/22/17/408082217.db2.gz VMDRSIKASIONBZ-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000263266788 408082225 /nfs/dbraw/zinc/08/22/25/408082225.db2.gz VMDRSIKASIONBZ-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP N#Cc1csc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000119538871 408088705 /nfs/dbraw/zinc/08/87/05/408088705.db2.gz VQDJJFCKYVDOLL-UHFFFAOYSA-N 2 2 304.463 1.833 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330850 408223495 /nfs/dbraw/zinc/22/34/95/408223495.db2.gz GUCBQXXPHNJOBO-HIFRSBDPSA-N 2 2 300.406 1.769 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330850 408223507 /nfs/dbraw/zinc/22/35/07/408223507.db2.gz GUCBQXXPHNJOBO-HIFRSBDPSA-N 2 2 300.406 1.769 20 30 DDEDLP CC[C@@H](O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000159400092 408404341 /nfs/dbraw/zinc/40/43/41/408404341.db2.gz AVMWCYMFVKRMJM-OAHLLOKOSA-N 2 2 318.421 1.573 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359386940 410632545 /nfs/dbraw/zinc/63/25/45/410632545.db2.gz IZQZQVCLNBQXHQ-UHFFFAOYSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246304945 222221561 /nfs/dbraw/zinc/22/15/61/222221561.db2.gz FOEDSCGJCXPQFW-YESZJQIVSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246304945 222221565 /nfs/dbraw/zinc/22/15/65/222221565.db2.gz FOEDSCGJCXPQFW-YESZJQIVSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246304945 222221567 /nfs/dbraw/zinc/22/15/67/222221567.db2.gz FOEDSCGJCXPQFW-YESZJQIVSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246304945 222221572 /nfs/dbraw/zinc/22/15/72/222221572.db2.gz FOEDSCGJCXPQFW-YESZJQIVSA-N 2 2 305.466 1.711 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000262702131 222291497 /nfs/dbraw/zinc/29/14/97/222291497.db2.gz KYRGKTYSRAMGGP-HNNXBMFYSA-N 2 2 304.394 1.285 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000262702131 222291499 /nfs/dbraw/zinc/29/14/99/222291499.db2.gz KYRGKTYSRAMGGP-HNNXBMFYSA-N 2 2 304.394 1.285 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000361458621 418656277 /nfs/dbraw/zinc/65/62/77/418656277.db2.gz HTZAVKSIJDEWRN-IAGOWNOFSA-N 2 2 308.470 1.048 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000363489925 418766721 /nfs/dbraw/zinc/76/67/21/418766721.db2.gz PLONRPIISMGOPX-HFTRVMKXSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363489925 418766724 /nfs/dbraw/zinc/76/67/24/418766724.db2.gz PLONRPIISMGOPX-HFTRVMKXSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431165017 229012554 /nfs/dbraw/zinc/01/25/54/229012554.db2.gz BALYVOVTTZYXGU-HIFRSBDPSA-N 2 2 302.378 1.295 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431165017 229012557 /nfs/dbraw/zinc/01/25/57/229012557.db2.gz BALYVOVTTZYXGU-HIFRSBDPSA-N 2 2 302.378 1.295 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458989224 420776669 /nfs/dbraw/zinc/77/66/69/420776669.db2.gz AWIHFSIMBCKBOC-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458989224 420776673 /nfs/dbraw/zinc/77/66/73/420776673.db2.gz AWIHFSIMBCKBOC-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493367937 420830916 /nfs/dbraw/zinc/83/09/16/420830916.db2.gz KLWWMCJEKBQCGV-SREVYHEPSA-N 2 2 323.400 1.885 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568166439 421617985 /nfs/dbraw/zinc/61/79/85/421617985.db2.gz KUCZQFDYZSWNOB-HUUCEWRRSA-N 2 2 302.422 1.799 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568166439 421617993 /nfs/dbraw/zinc/61/79/93/421617993.db2.gz KUCZQFDYZSWNOB-HUUCEWRRSA-N 2 2 302.422 1.799 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000575039892 422241445 /nfs/dbraw/zinc/24/14/45/422241445.db2.gz FMKUZIGFVPCKMM-UKPHBRMFSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000575039892 422241448 /nfs/dbraw/zinc/24/14/48/422241448.db2.gz FMKUZIGFVPCKMM-UKPHBRMFSA-N 2 2 315.417 1.513 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584122207 422265547 /nfs/dbraw/zinc/26/55/47/422265547.db2.gz KGKNFSALCBZMKY-QGZVFWFLSA-N 2 2 314.433 1.613 20 30 DDEDLP C=CCNC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653064562 423285009 /nfs/dbraw/zinc/28/50/09/423285009.db2.gz ZYNCOZWAFNHVKH-CQSZACIVSA-N 2 2 319.409 1.212 20 30 DDEDLP C=CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000639683688 423654360 /nfs/dbraw/zinc/65/43/60/423654360.db2.gz LQSBKCGJXTVJGF-UHFFFAOYSA-N 2 2 312.421 1.962 20 30 DDEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000662167383 424450887 /nfs/dbraw/zinc/45/08/87/424450887.db2.gz CAAUYLHSXIOZFM-NVXWUHKLSA-N 2 2 317.433 1.028 20 30 DDEDLP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344076265 267148627 /nfs/dbraw/zinc/14/86/27/267148627.db2.gz OAQAHTWHVKIQOU-CYBMUJFWSA-N 2 2 300.406 1.376 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330179765 276155470 /nfs/dbraw/zinc/15/54/70/276155470.db2.gz FMPSQMGIFDQJGL-UONOGXRCSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330179765 276155472 /nfs/dbraw/zinc/15/54/72/276155472.db2.gz FMPSQMGIFDQJGL-UONOGXRCSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330179765 276155473 /nfs/dbraw/zinc/15/54/73/276155473.db2.gz FMPSQMGIFDQJGL-UONOGXRCSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330179765 276155474 /nfs/dbraw/zinc/15/54/74/276155474.db2.gz FMPSQMGIFDQJGL-UONOGXRCSA-N 2 2 305.426 1.576 20 30 DDEDLP C[NH+]1CCN(c2ccc(NCc3nc(C#N)cs3)[nH+]c2)CC1 ZINC000568496921 308120227 /nfs/dbraw/zinc/12/02/27/308120227.db2.gz MMBAOIHICQLGQT-UHFFFAOYSA-N 2 2 314.418 1.774 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000533867481 332226041 /nfs/dbraw/zinc/22/60/41/332226041.db2.gz NJQARGHYKFKLCJ-WBMJQRKESA-N 2 2 301.394 1.018 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000533867481 332226043 /nfs/dbraw/zinc/22/60/43/332226043.db2.gz NJQARGHYKFKLCJ-WBMJQRKESA-N 2 2 301.394 1.018 20 30 DDEDLP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000365735197 333453636 /nfs/dbraw/zinc/45/36/36/333453636.db2.gz KHMXPWSHNRGNCM-RDJZCZTQSA-N 2 2 318.465 1.745 20 30 DDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459465600 339030683 /nfs/dbraw/zinc/03/06/83/339030683.db2.gz NJGZDPRMTNJNNB-GOEBONIOSA-N 2 2 316.405 1.206 20 30 DDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247492682 341365774 /nfs/dbraw/zinc/36/57/74/341365774.db2.gz LBLUXGLWJOANDI-NVXWUHKLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247492682 341365775 /nfs/dbraw/zinc/36/57/75/341365775.db2.gz LBLUXGLWJOANDI-NVXWUHKLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247492682 341365776 /nfs/dbraw/zinc/36/57/76/341365776.db2.gz LBLUXGLWJOANDI-NVXWUHKLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247492682 341365777 /nfs/dbraw/zinc/36/57/77/341365777.db2.gz LBLUXGLWJOANDI-NVXWUHKLSA-N 2 2 306.454 1.601 20 30 DDEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000339662296 534690401 /nfs/dbraw/zinc/69/04/01/534690401.db2.gz XKPRYIJKRPKZKQ-CQSZACIVSA-N 2 2 311.389 1.449 20 30 DDEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000339662296 534690402 /nfs/dbraw/zinc/69/04/02/534690402.db2.gz XKPRYIJKRPKZKQ-CQSZACIVSA-N 2 2 311.389 1.449 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491761978 526830221 /nfs/dbraw/zinc/83/02/21/526830221.db2.gz YNNGHFBFHSXVFE-LSDHHAIUSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491761978 526830226 /nfs/dbraw/zinc/83/02/26/526830226.db2.gz YNNGHFBFHSXVFE-LSDHHAIUSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491761978 526830230 /nfs/dbraw/zinc/83/02/30/526830230.db2.gz YNNGHFBFHSXVFE-LSDHHAIUSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491761978 526830234 /nfs/dbraw/zinc/83/02/34/526830234.db2.gz YNNGHFBFHSXVFE-LSDHHAIUSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000491418241 526984242 /nfs/dbraw/zinc/98/42/42/526984242.db2.gz QAZFHUDUYJRZSH-IBGZPJMESA-N 2 2 313.445 1.770 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000491418241 526984246 /nfs/dbraw/zinc/98/42/46/526984246.db2.gz QAZFHUDUYJRZSH-IBGZPJMESA-N 2 2 313.445 1.770 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675407 695709619 /nfs/dbraw/zinc/70/96/19/695709619.db2.gz SWCIQEYMELTRTA-CABCVRRESA-N 2 2 314.433 1.610 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675407 695709621 /nfs/dbraw/zinc/70/96/21/695709621.db2.gz SWCIQEYMELTRTA-CABCVRRESA-N 2 2 314.433 1.610 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980946 695772619 /nfs/dbraw/zinc/77/26/19/695772619.db2.gz XZCOEBBGZSTJGF-CQSZACIVSA-N 2 2 305.422 1.967 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980946 695772622 /nfs/dbraw/zinc/77/26/22/695772622.db2.gz XZCOEBBGZSTJGF-CQSZACIVSA-N 2 2 305.422 1.967 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975050372 695785229 /nfs/dbraw/zinc/78/52/29/695785229.db2.gz URPVQWMFCHHSIO-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975050372 695785230 /nfs/dbraw/zinc/78/52/30/695785230.db2.gz URPVQWMFCHHSIO-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977504800 696192409 /nfs/dbraw/zinc/19/24/09/696192409.db2.gz YSXCRMDATGWCMV-HNNXBMFYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977504800 696192410 /nfs/dbraw/zinc/19/24/10/696192410.db2.gz YSXCRMDATGWCMV-HNNXBMFYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981857544 696944494 /nfs/dbraw/zinc/94/44/94/696944494.db2.gz ZLENKMQQGODJSA-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981857544 696944495 /nfs/dbraw/zinc/94/44/95/696944495.db2.gz ZLENKMQQGODJSA-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981988673 696995760 /nfs/dbraw/zinc/99/57/60/696995760.db2.gz BJARIWNJAJDSAC-HUUCEWRRSA-N 2 2 302.422 1.634 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981988673 696995761 /nfs/dbraw/zinc/99/57/61/696995761.db2.gz BJARIWNJAJDSAC-HUUCEWRRSA-N 2 2 302.422 1.634 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982736005 697174684 /nfs/dbraw/zinc/17/46/84/697174684.db2.gz LHYBAVQESGBDGN-HDICACEKSA-N 2 2 314.433 1.491 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982736005 697174686 /nfs/dbraw/zinc/17/46/86/697174686.db2.gz LHYBAVQESGBDGN-HDICACEKSA-N 2 2 314.433 1.491 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510769 697522259 /nfs/dbraw/zinc/52/22/59/697522259.db2.gz XSHSPPNINVBTRI-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985510769 697522261 /nfs/dbraw/zinc/52/22/61/697522261.db2.gz XSHSPPNINVBTRI-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780508904 698526512 /nfs/dbraw/zinc/52/65/12/698526512.db2.gz QNDQHHXMHBUDJD-INIZCTEOSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CCCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780508904 698526517 /nfs/dbraw/zinc/52/65/17/698526517.db2.gz QNDQHHXMHBUDJD-INIZCTEOSA-N 2 2 305.466 1.855 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584837 698681264 /nfs/dbraw/zinc/68/12/64/698681264.db2.gz NGXYNECPQNAWBW-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584837 698681267 /nfs/dbraw/zinc/68/12/67/698681267.db2.gz NGXYNECPQNAWBW-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774788 698758972 /nfs/dbraw/zinc/75/89/72/698758972.db2.gz FUTGXLMGTCMMDV-UHFFFAOYSA-N 2 2 317.433 1.903 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774788 698758974 /nfs/dbraw/zinc/75/89/74/698758974.db2.gz FUTGXLMGTCMMDV-UHFFFAOYSA-N 2 2 317.433 1.903 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854857 698797812 /nfs/dbraw/zinc/79/78/12/698797812.db2.gz WBHPPBVYQATRLP-RHSMWYFYSA-N 2 2 323.400 1.534 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000787771974 699240780 /nfs/dbraw/zinc/24/07/80/699240780.db2.gz AQSHFVLQSMKISM-UHFFFAOYSA-N 2 2 311.429 1.408 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000848409385 703547537 /nfs/dbraw/zinc/54/75/37/703547537.db2.gz VIBIWOLTFFYAPZ-CYBMUJFWSA-N 2 2 312.377 1.926 20 30 DDEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000848536385 703561874 /nfs/dbraw/zinc/56/18/74/703561874.db2.gz RBDFOHYFJSRYIX-QGZVFWFLSA-N 2 2 315.417 1.910 20 30 DDEDLP N#Cc1cc(F)ccc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000866703978 706769790 /nfs/dbraw/zinc/76/97/90/706769790.db2.gz QVSLXXVRHJYELZ-AWEZNQCLSA-N 2 2 302.397 1.819 20 30 DDEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115031 704199895 /nfs/dbraw/zinc/19/98/95/704199895.db2.gz CTEZZXFNTAWZGZ-OALUTQOASA-N 2 2 316.445 1.497 20 30 DDEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115031 704199896 /nfs/dbraw/zinc/19/98/96/704199896.db2.gz CTEZZXFNTAWZGZ-OALUTQOASA-N 2 2 316.445 1.497 20 30 DDEDLP C[C@@H]1CCCCN1[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000853378651 704237431 /nfs/dbraw/zinc/23/74/31/704237431.db2.gz ALTPWSZLROMJMB-CQSZACIVSA-N 2 2 302.426 1.437 20 30 DDEDLP C#CCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000855415571 704484515 /nfs/dbraw/zinc/48/45/15/704484515.db2.gz ZQXKOULIUXVXGJ-UHFFFAOYSA-N 2 2 307.482 1.960 20 30 DDEDLP C#CCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000855415571 704484516 /nfs/dbraw/zinc/48/45/16/704484516.db2.gz ZQXKOULIUXVXGJ-UHFFFAOYSA-N 2 2 307.482 1.960 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000822935386 705087213 /nfs/dbraw/zinc/08/72/13/705087213.db2.gz SBOOIQFRVPURML-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000822935386 705087215 /nfs/dbraw/zinc/08/72/15/705087215.db2.gz SBOOIQFRVPURML-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000865426567 706428254 /nfs/dbraw/zinc/42/82/54/706428254.db2.gz ADEAOLQLCPYDFG-MRXNPFEDSA-N 2 2 302.422 1.171 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C#N)ccc1F ZINC000888373730 709290887 /nfs/dbraw/zinc/29/08/87/709290887.db2.gz PYGSJMWGKFYNBI-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C#N)ccc1F ZINC000888373730 709290888 /nfs/dbraw/zinc/29/08/88/709290888.db2.gz PYGSJMWGKFYNBI-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)CCOCC1 ZINC000931516098 714116600 /nfs/dbraw/zinc/11/66/00/714116600.db2.gz HKKNZITXSXJLRA-CYBMUJFWSA-N 2 2 316.405 1.093 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000923580103 714414552 /nfs/dbraw/zinc/41/45/52/714414552.db2.gz YFVZQKXUBIZZMW-MSOLQXFVSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000923580103 714414555 /nfs/dbraw/zinc/41/45/55/714414555.db2.gz YFVZQKXUBIZZMW-MSOLQXFVSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580103 714414557 /nfs/dbraw/zinc/41/45/57/714414557.db2.gz YFVZQKXUBIZZMW-MSOLQXFVSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580103 714414560 /nfs/dbraw/zinc/41/45/60/714414560.db2.gz YFVZQKXUBIZZMW-MSOLQXFVSA-N 2 2 313.445 1.893 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364051 717760003 /nfs/dbraw/zinc/76/00/03/717760003.db2.gz BBMXMCFFCCHWBK-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364051 717760006 /nfs/dbraw/zinc/76/00/06/717760006.db2.gz BBMXMCFFCCHWBK-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309399 718837015 /nfs/dbraw/zinc/83/70/15/718837015.db2.gz FTOYRLJYCGLRHK-WMLDXEAASA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309399 718837018 /nfs/dbraw/zinc/83/70/18/718837018.db2.gz FTOYRLJYCGLRHK-WMLDXEAASA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967396691 718868857 /nfs/dbraw/zinc/86/88/57/718868857.db2.gz GGIXHRDXPHRNEA-RISCZKNCSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967396691 718868861 /nfs/dbraw/zinc/86/88/61/718868861.db2.gz GGIXHRDXPHRNEA-RISCZKNCSA-N 2 2 310.829 1.771 20 30 DDEDLP 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YLZSDARFXLVGNM-IYBDPMFKSA-N 2 2 323.400 1.569 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449492 735242069 /nfs/dbraw/zinc/24/20/69/735242069.db2.gz RFCBTFVTLPQBGQ-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449492 735242073 /nfs/dbraw/zinc/24/20/73/735242073.db2.gz RFCBTFVTLPQBGQ-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647520 735999810 /nfs/dbraw/zinc/99/98/10/735999810.db2.gz NLHHXUHWIATIKW-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647520 735999811 /nfs/dbraw/zinc/99/98/11/735999811.db2.gz NLHHXUHWIATIKW-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1 ZINC001087321443 736095214 /nfs/dbraw/zinc/09/52/14/736095214.db2.gz UGJNOSQKNBTKFA-HYVNUMGLSA-N 2 2 314.433 1.512 20 30 DDEDLP 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ZINC000997959515 751419813 /nfs/dbraw/zinc/41/98/13/751419813.db2.gz HAEOBTCTGXJWOC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997959515 751419816 /nfs/dbraw/zinc/41/98/16/751419816.db2.gz HAEOBTCTGXJWOC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639245 739829630 /nfs/dbraw/zinc/82/96/30/739829630.db2.gz VPBYAKNENUGYNE-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639245 739829635 /nfs/dbraw/zinc/82/96/35/739829635.db2.gz VPBYAKNENUGYNE-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718130 739951465 /nfs/dbraw/zinc/95/14/65/739951465.db2.gz BWSMHETVXMVQPZ-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718130 739951467 /nfs/dbraw/zinc/95/14/67/739951467.db2.gz BWSMHETVXMVQPZ-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035417439 751499437 /nfs/dbraw/zinc/49/94/37/751499437.db2.gz TVDGWMFIXBRDJE-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001035417439 751499442 /nfs/dbraw/zinc/49/94/42/751499442.db2.gz TVDGWMFIXBRDJE-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075790752 740506428 /nfs/dbraw/zinc/50/64/28/740506428.db2.gz DAMAVNIMLGYESK-JKSUJKDBSA-N 2 2 308.385 1.422 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075790752 740506430 /nfs/dbraw/zinc/50/64/30/740506430.db2.gz DAMAVNIMLGYESK-JKSUJKDBSA-N 2 2 308.385 1.422 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628981 740687562 /nfs/dbraw/zinc/68/75/62/740687562.db2.gz WKBQJPKSSILIER-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628981 740687564 /nfs/dbraw/zinc/68/75/64/740687564.db2.gz WKBQJPKSSILIER-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035695189 751782412 /nfs/dbraw/zinc/78/24/12/751782412.db2.gz MZOKCORIXSYHON-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035734815 751828202 /nfs/dbraw/zinc/82/82/02/751828202.db2.gz KNHKSKGIEZVXRJ-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552777 743479146 /nfs/dbraw/zinc/47/91/46/743479146.db2.gz OUBREXQIZOLOGX-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552777 743479151 /nfs/dbraw/zinc/47/91/51/743479151.db2.gz OUBREXQIZOLOGX-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035797516 751884699 /nfs/dbraw/zinc/88/46/99/751884699.db2.gz BPCCIUKTDUZYHM-HUUCEWRRSA-N 2 2 314.433 1.634 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850857 744104400 /nfs/dbraw/zinc/10/44/00/744104400.db2.gz HSWALWAWNOIELR-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501250 744237997 /nfs/dbraw/zinc/23/79/97/744237997.db2.gz CWPFJJBLKUBTTN-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185594544 744255143 /nfs/dbraw/zinc/25/51/43/744255143.db2.gz FIRXCKPDUOWINJ-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189874673 745010355 /nfs/dbraw/zinc/01/03/55/745010355.db2.gz NHAVTULBANWSHG-CQSZACIVSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189874673 745010358 /nfs/dbraw/zinc/01/03/58/745010358.db2.gz NHAVTULBANWSHG-CQSZACIVSA-N 2 2 306.410 1.078 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444807 745209146 /nfs/dbraw/zinc/20/91/46/745209146.db2.gz RYMGHPZXNOHODB-KBPBESRZSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992841734 745242619 /nfs/dbraw/zinc/24/26/19/745242619.db2.gz ANCVDRQENPSTKB-BFHYXJOUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990033 745398443 /nfs/dbraw/zinc/39/84/43/745398443.db2.gz WNBLMXPLQMMPMX-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990033 745398449 /nfs/dbraw/zinc/39/84/49/745398449.db2.gz WNBLMXPLQMMPMX-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106339857 745613366 /nfs/dbraw/zinc/61/33/66/745613366.db2.gz CJFDHXMVLWZMAQ-RBSFLKMASA-N 2 2 302.422 1.316 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036049668 752128159 /nfs/dbraw/zinc/12/81/59/752128159.db2.gz XTHBPUKGFROVIP-SMDDNHRTSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036049668 752128162 /nfs/dbraw/zinc/12/81/62/752128162.db2.gz XTHBPUKGFROVIP-SMDDNHRTSA-N 2 2 310.829 1.921 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001036084387 752146299 /nfs/dbraw/zinc/14/62/99/752146299.db2.gz QEBHFSDCWANBTI-UKRRQHHQSA-N 2 2 301.390 1.093 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C ZINC001089652671 747575089 /nfs/dbraw/zinc/57/50/89/747575089.db2.gz ITDGKRYIZKHFOW-IRXDYDNUSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C ZINC001089652671 747575094 /nfs/dbraw/zinc/57/50/94/747575094.db2.gz ITDGKRYIZKHFOW-IRXDYDNUSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C ZINC001089652671 747575101 /nfs/dbraw/zinc/57/51/01/747575101.db2.gz ITDGKRYIZKHFOW-IRXDYDNUSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C ZINC001089652671 747575108 /nfs/dbraw/zinc/57/51/08/747575108.db2.gz ITDGKRYIZKHFOW-IRXDYDNUSA-N 2 2 317.477 1.877 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077066 748208007 /nfs/dbraw/zinc/20/80/07/748208007.db2.gz AUMMLWMPTBSSGH-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077066 748208013 /nfs/dbraw/zinc/20/80/13/748208013.db2.gz AUMMLWMPTBSSGH-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201105079 748411899 /nfs/dbraw/zinc/41/18/99/748411899.db2.gz YIJSGEXMPATESI-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871421 748511191 /nfs/dbraw/zinc/51/11/91/748511191.db2.gz YWUUSVDVGXIKNX-SVGFKBNWSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871421 748511195 /nfs/dbraw/zinc/51/11/95/748511195.db2.gz YWUUSVDVGXIKNX-SVGFKBNWSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001201818738 748608534 /nfs/dbraw/zinc/60/85/34/748608534.db2.gz SDIGAMPMOXTNOV-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201818738 748608536 /nfs/dbraw/zinc/60/85/36/748608536.db2.gz SDIGAMPMOXTNOV-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208185 748712272 /nfs/dbraw/zinc/71/22/72/748712272.db2.gz KCWIIAFDEJMKDL-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254319 749064361 /nfs/dbraw/zinc/06/43/61/749064361.db2.gz BRAKSRBGHUPLFC-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254319 749064365 /nfs/dbraw/zinc/06/43/65/749064365.db2.gz BRAKSRBGHUPLFC-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268723 749097428 /nfs/dbraw/zinc/09/74/28/749097428.db2.gz DWJJTLDNHZGIBF-CQSZACIVSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033268723 749097431 /nfs/dbraw/zinc/09/74/31/749097431.db2.gz DWJJTLDNHZGIBF-CQSZACIVSA-N 2 2 302.422 1.481 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039301549 761920140 /nfs/dbraw/zinc/92/01/40/761920140.db2.gz JQTFTZTWSDRIJO-XYTVBORESA-N 2 2 314.433 1.969 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000995846582 749258720 /nfs/dbraw/zinc/25/87/20/749258720.db2.gz KNAWHRILBSHXTJ-HNNXBMFYSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423669 749342059 /nfs/dbraw/zinc/34/20/59/749342059.db2.gz TXQXDJBIRMXBBO-CQSZACIVSA-N 2 2 316.405 1.050 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423669 749342065 /nfs/dbraw/zinc/34/20/65/749342065.db2.gz TXQXDJBIRMXBBO-CQSZACIVSA-N 2 2 316.405 1.050 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531635 750015837 /nfs/dbraw/zinc/01/58/37/750015837.db2.gz MJKDZTBRGGNCEL-UGUYLWEFSA-N 2 2 312.417 1.505 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531635 750015843 /nfs/dbraw/zinc/01/58/43/750015843.db2.gz MJKDZTBRGGNCEL-UGUYLWEFSA-N 2 2 312.417 1.505 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646264 750108948 /nfs/dbraw/zinc/10/89/48/750108948.db2.gz VXUSBGJLWOKQNQ-FZKCQIBNSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646264 750108953 /nfs/dbraw/zinc/10/89/53/750108953.db2.gz VXUSBGJLWOKQNQ-FZKCQIBNSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001005579603 750654810 /nfs/dbraw/zinc/65/48/10/750654810.db2.gz BEEMZQXAWKGROO-UHFFFAOYSA-N 2 2 315.417 1.579 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626608 750721051 /nfs/dbraw/zinc/72/10/51/750721051.db2.gz WBSWBGWDBMVNBL-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001034731286 750786742 /nfs/dbraw/zinc/78/67/42/750786742.db2.gz LDCIAMIDOCJUQV-MGPQQGTHSA-N 2 2 300.406 1.480 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000997413865 750918530 /nfs/dbraw/zinc/91/85/30/750918530.db2.gz RMOFLZDBPJIFSM-UHFFFAOYSA-N 2 2 323.400 1.536 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001032488800 751036899 /nfs/dbraw/zinc/03/68/99/751036899.db2.gz HYGPHBXKRPFSCS-KBPBESRZSA-N 2 2 318.421 1.601 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001032488800 751036905 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ZINC001092085727 773940550 /nfs/dbraw/zinc/94/05/50/773940550.db2.gz YKWMRFUIJRIATN-VBQJREDUSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092085727 773940557 /nfs/dbraw/zinc/94/05/57/773940557.db2.gz YKWMRFUIJRIATN-VBQJREDUSA-N 2 2 302.422 1.555 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092199970 774001965 /nfs/dbraw/zinc/00/19/65/774001965.db2.gz YSNOCYCCOVYPQB-DYVFJYSZSA-N 2 2 300.406 1.101 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092199970 774001973 /nfs/dbraw/zinc/00/19/73/774001973.db2.gz YSNOCYCCOVYPQB-DYVFJYSZSA-N 2 2 300.406 1.101 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742593 774243677 /nfs/dbraw/zinc/24/36/77/774243677.db2.gz WNEUQIBYCQYHSA-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742593 774243678 /nfs/dbraw/zinc/24/36/78/774243678.db2.gz WNEUQIBYCQYHSA-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092748043 774248004 /nfs/dbraw/zinc/24/80/04/774248004.db2.gz NAZKNXIWKMYKST-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092748043 774248006 /nfs/dbraw/zinc/24/80/06/774248006.db2.gz NAZKNXIWKMYKST-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092957937 774324886 /nfs/dbraw/zinc/32/48/86/774324886.db2.gz FKLODACXFDGFFK-RBSFLKMASA-N 2 2 314.433 1.537 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092957937 774324893 /nfs/dbraw/zinc/32/48/93/774324893.db2.gz FKLODACXFDGFFK-RBSFLKMASA-N 2 2 314.433 1.537 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747142 774468135 /nfs/dbraw/zinc/46/81/35/774468135.db2.gz FHENHPUPJFCRJD-ZBFHGGJFSA-N 2 2 313.401 1.189 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747142 774468138 /nfs/dbraw/zinc/46/81/38/774468138.db2.gz FHENHPUPJFCRJD-ZBFHGGJFSA-N 2 2 313.401 1.189 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867250 775016580 /nfs/dbraw/zinc/01/65/80/775016580.db2.gz RJMPKKGGBOYDGQ-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867250 775016587 /nfs/dbraw/zinc/01/65/87/775016587.db2.gz RJMPKKGGBOYDGQ-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017009 775574843 /nfs/dbraw/zinc/57/48/43/775574843.db2.gz COPBRROLFQLSJO-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017009 775574851 /nfs/dbraw/zinc/57/48/51/775574851.db2.gz COPBRROLFQLSJO-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419611 776128160 /nfs/dbraw/zinc/12/81/60/776128160.db2.gz ZKEVKBITGJCKTN-NEXFUWMNSA-N 2 2 302.422 1.964 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419611 776128169 /nfs/dbraw/zinc/12/81/69/776128169.db2.gz ZKEVKBITGJCKTN-NEXFUWMNSA-N 2 2 302.422 1.964 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100746030 776494078 /nfs/dbraw/zinc/49/40/78/776494078.db2.gz DJYBDMWOPNJMLM-QFWMXSHPSA-N 2 2 310.829 1.825 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC(CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001101070024 776876000 /nfs/dbraw/zinc/87/60/00/776876000.db2.gz DFTSYVXCPXPQCY-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638288 777852986 /nfs/dbraw/zinc/85/29/86/777852986.db2.gz NTKHACMPDOPXMB-HUUCEWRRSA-N 2 2 304.438 1.876 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638288 777852997 /nfs/dbraw/zinc/85/29/97/777852997.db2.gz NTKHACMPDOPXMB-HUUCEWRRSA-N 2 2 304.438 1.876 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCC(F)F)cc2F)CC1 ZINC001116735287 780550828 /nfs/dbraw/zinc/55/08/28/780550828.db2.gz RZVFJEGSGJHJGT-UHFFFAOYSA-N 2 2 300.328 1.766 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167601195 837448471 /nfs/dbraw/zinc/44/84/71/837448471.db2.gz NTUFLGFSGRBJRV-UHFFFAOYSA-N 2 2 322.412 1.995 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355741 836164604 /nfs/dbraw/zinc/16/46/04/836164604.db2.gz NFYIBNHIHXTIOH-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355741 836164610 /nfs/dbraw/zinc/16/46/10/836164610.db2.gz NFYIBNHIHXTIOH-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266565125 836476309 /nfs/dbraw/zinc/47/63/09/836476309.db2.gz MUMVKILXZGXFBK-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266565125 836476313 /nfs/dbraw/zinc/47/63/13/836476313.db2.gz MUMVKILXZGXFBK-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1CC ZINC001271462718 843625678 /nfs/dbraw/zinc/62/56/78/843625678.db2.gz UJIMNRLRPGMSNG-GOSISDBHSA-N 2 2 324.428 1.916 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001271585732 843714436 /nfs/dbraw/zinc/71/44/36/843714436.db2.gz UBKMAUKJSAVLKK-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001271585732 843714442 /nfs/dbraw/zinc/71/44/42/843714442.db2.gz UBKMAUKJSAVLKK-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272807765 847457760 /nfs/dbraw/zinc/45/77/60/847457760.db2.gz AKCOYEPKWIFHTA-HNNXBMFYSA-N 2 2 314.433 1.789 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034407820 848452960 /nfs/dbraw/zinc/45/29/60/848452960.db2.gz DZXQNXPJKTXQOC-RBSFLKMASA-N 2 2 300.406 1.128 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034407820 848452966 /nfs/dbraw/zinc/45/29/66/848452966.db2.gz DZXQNXPJKTXQOC-RBSFLKMASA-N 2 2 300.406 1.128 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895357 861967353 /nfs/dbraw/zinc/96/73/53/861967353.db2.gz HQEZKHJVIKHIRW-UONOGXRCSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895358 861967578 /nfs/dbraw/zinc/96/75/78/861967578.db2.gz HQEZKHJVIKHIRW-ZIAGYGMSSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274655401 852490991 /nfs/dbraw/zinc/49/09/91/852490991.db2.gz KBEYXRCFTSFJSB-BRWVUGGUSA-N 2 2 323.481 1.331 20 30 DDEDLP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274655401 852490999 /nfs/dbraw/zinc/49/09/99/852490999.db2.gz KBEYXRCFTSFJSB-BRWVUGGUSA-N 2 2 323.481 1.331 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544449 856953586 /nfs/dbraw/zinc/95/35/86/856953586.db2.gz CVTKWABRGRNNBX-HZPDHXFCSA-N 2 2 314.433 1.625 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544449 856953591 /nfs/dbraw/zinc/95/35/91/856953591.db2.gz CVTKWABRGRNNBX-HZPDHXFCSA-N 2 2 314.433 1.625 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864925 857816858 /nfs/dbraw/zinc/81/68/58/857816858.db2.gz WSTFLJPDOCQFMN-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864925 857816871 /nfs/dbraw/zinc/81/68/71/857816871.db2.gz WSTFLJPDOCQFMN-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870466 857825556 /nfs/dbraw/zinc/82/55/56/857825556.db2.gz JYZBCFLNLPFSQT-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870466 857825565 /nfs/dbraw/zinc/82/55/65/857825565.db2.gz JYZBCFLNLPFSQT-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001329934731 863955059 /nfs/dbraw/zinc/95/50/59/863955059.db2.gz ZIQLXLJTIDWZPQ-LSDHHAIUSA-N 2 2 317.437 1.612 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747789 864099425 /nfs/dbraw/zinc/09/94/25/864099425.db2.gz HRZMNQTUEFEZOF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747789 864099398 /nfs/dbraw/zinc/09/93/98/864099398.db2.gz HRZMNQTUEFEZOF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747789 864099407 /nfs/dbraw/zinc/09/94/07/864099407.db2.gz HRZMNQTUEFEZOF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747789 864099417 /nfs/dbraw/zinc/09/94/17/864099417.db2.gz HRZMNQTUEFEZOF-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092923 864405081 /nfs/dbraw/zinc/40/50/81/864405081.db2.gz QSVZOTXGCVHIHH-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092923 864405087 /nfs/dbraw/zinc/40/50/87/864405087.db2.gz QSVZOTXGCVHIHH-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP N#Cc1cc(Cl)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258080 864520300 /nfs/dbraw/zinc/52/03/00/864520300.db2.gz PVDUJPYJCOCVKX-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258080 864520313 /nfs/dbraw/zinc/52/03/13/864520313.db2.gz PVDUJPYJCOCVKX-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260276 864523150 /nfs/dbraw/zinc/52/31/50/864523150.db2.gz ZUAUCFDYFZYGNS-LLVKDONJSA-N 2 2 323.803 1.748 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260276 864523156 /nfs/dbraw/zinc/52/31/56/864523156.db2.gz ZUAUCFDYFZYGNS-LLVKDONJSA-N 2 2 323.803 1.748 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001324162610 867114316 /nfs/dbraw/zinc/11/43/16/867114316.db2.gz LSIQKYLKSJGPKF-OAHLLOKOSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F ZINC001322176721 868028664 /nfs/dbraw/zinc/02/86/64/868028664.db2.gz RCNYEMKUMDSVQI-OLZOCXBDSA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC(F)(F)F ZINC001322176721 868028676 /nfs/dbraw/zinc/02/86/76/868028676.db2.gz RCNYEMKUMDSVQI-OLZOCXBDSA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F ZINC001322176721 868028687 /nfs/dbraw/zinc/02/86/87/868028687.db2.gz RCNYEMKUMDSVQI-OLZOCXBDSA-N 2 2 319.371 1.473 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F ZINC001322176721 868028697 /nfs/dbraw/zinc/02/86/97/868028697.db2.gz RCNYEMKUMDSVQI-OLZOCXBDSA-N 2 2 319.371 1.473 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001325581775 868155216 /nfs/dbraw/zinc/15/52/16/868155216.db2.gz NXMMVXWQHRBXIC-KGLIPLIRSA-N 2 2 302.422 1.395 20 30 DDEDLP CC#CC[N@H+](CCCNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001317710099 871433354 /nfs/dbraw/zinc/43/33/54/871433354.db2.gz ZBTHWTJTAOAWBI-UHFFFAOYSA-N 2 2 304.438 1.593 20 30 DDEDLP CC#CC[N@@H+](CCCNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001317710099 871433364 /nfs/dbraw/zinc/43/33/64/871433364.db2.gz ZBTHWTJTAOAWBI-UHFFFAOYSA-N 2 2 304.438 1.593 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001318821467 872289262 /nfs/dbraw/zinc/28/92/62/872289262.db2.gz QADCOIHSYVGFPC-INIZCTEOSA-N 2 2 302.422 1.515 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001206602638 872468432 /nfs/dbraw/zinc/46/84/32/872468432.db2.gz ICZFGVGUOBGTMI-UHFFFAOYSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351968 874838726 /nfs/dbraw/zinc/83/87/26/874838726.db2.gz WRYQTQYLBQRIDX-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351968 874838738 /nfs/dbraw/zinc/83/87/38/874838738.db2.gz WRYQTQYLBQRIDX-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351968 874838756 /nfs/dbraw/zinc/83/87/56/874838756.db2.gz WRYQTQYLBQRIDX-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351968 874838761 /nfs/dbraw/zinc/83/87/61/874838761.db2.gz WRYQTQYLBQRIDX-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214914168 876505144 /nfs/dbraw/zinc/50/51/44/876505144.db2.gz ZAVZMUVHGXZPDO-BZUAXINKSA-N 2 2 302.422 1.540 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001351948805 876528948 /nfs/dbraw/zinc/52/89/48/876528948.db2.gz IPNBOZGVZXTPSV-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001351948805 876528955 /nfs/dbraw/zinc/52/89/55/876528955.db2.gz IPNBOZGVZXTPSV-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001351948805 876528962 /nfs/dbraw/zinc/52/89/62/876528962.db2.gz IPNBOZGVZXTPSV-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001351948805 876528968 /nfs/dbraw/zinc/52/89/68/876528968.db2.gz IPNBOZGVZXTPSV-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988053 876529157 /nfs/dbraw/zinc/52/91/57/876529157.db2.gz HPROKXFTKRUQII-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226791 876616843 /nfs/dbraw/zinc/61/68/43/876616843.db2.gz SODFGISKBIZPDG-ZACQAIPSSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226791 876616852 /nfs/dbraw/zinc/61/68/52/876616852.db2.gz SODFGISKBIZPDG-ZACQAIPSSA-N 2 2 323.481 1.500 20 30 DDEDLP COc1cccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1C#N ZINC001218977903 877847950 /nfs/dbraw/zinc/84/79/50/877847950.db2.gz JLBMQDIPGPBRGI-AWEZNQCLSA-N 2 2 310.357 1.778 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220664186 879168264 /nfs/dbraw/zinc/16/82/64/879168264.db2.gz YNMHWEYYDIOSTN-AZAGILFBSA-N 2 2 315.417 1.650 20 30 DDEDLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001222097756 880244592 /nfs/dbraw/zinc/24/45/92/880244592.db2.gz FLJFDKVUKLAECC-GOSISDBHSA-N 2 2 322.412 1.515 20 30 DDEDLP N#CCCCC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001277949985 888692313 /nfs/dbraw/zinc/69/23/13/888692313.db2.gz POJBYJBCULIEBS-MRXNPFEDSA-N 2 2 316.449 1.451 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278608419 894472357 /nfs/dbraw/zinc/47/23/57/894472357.db2.gz LNRZFDHDUSQNEE-CABCVRRESA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253256589 895749807 /nfs/dbraw/zinc/74/98/07/895749807.db2.gz CANWOPSEWRWXBV-CABCVRRESA-N 2 2 308.426 1.283 20 30 DDEDLP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001253577519 895906844 /nfs/dbraw/zinc/90/68/44/895906844.db2.gz WCJSCBNVJKXTSQ-INIZCTEOSA-N 2 2 306.406 1.493 20 30 DDEDLP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001253577519 895906861 /nfs/dbraw/zinc/90/68/61/895906861.db2.gz WCJSCBNVJKXTSQ-INIZCTEOSA-N 2 2 306.406 1.493 20 30 DDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137248 896752414 /nfs/dbraw/zinc/75/24/14/896752414.db2.gz QAXAGXOIGDNBBB-RDGPPVDQSA-N 2 2 310.445 1.979 20 30 DDEDLP N#C[C@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137248 896752427 /nfs/dbraw/zinc/75/24/27/896752427.db2.gz QAXAGXOIGDNBBB-RDGPPVDQSA-N 2 2 310.445 1.979 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258729767 898302277 /nfs/dbraw/zinc/30/22/77/898302277.db2.gz YGQBUAOHARPJLP-INIZCTEOSA-N 2 2 317.481 1.801 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258729767 898302294 /nfs/dbraw/zinc/30/22/94/898302294.db2.gz YGQBUAOHARPJLP-INIZCTEOSA-N 2 2 317.481 1.801 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001263864001 900780091 /nfs/dbraw/zinc/78/00/91/900780091.db2.gz LCXZMHRGYGHUSF-KBUPBQIOSA-N 2 2 302.422 1.964 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001263864001 900780103 /nfs/dbraw/zinc/78/01/03/900780103.db2.gz LCXZMHRGYGHUSF-KBUPBQIOSA-N 2 2 302.422 1.964 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001264395077 901083069 /nfs/dbraw/zinc/08/30/69/901083069.db2.gz KLDMKWLNAHTBDF-OAGGEKHMSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001265334303 901898545 /nfs/dbraw/zinc/89/85/45/901898545.db2.gz OLEKYNPBVNPAFH-MRXNPFEDSA-N 2 2 316.449 1.900 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265675362 902289341 /nfs/dbraw/zinc/28/93/41/902289341.db2.gz GSOVPHOCQWHKNI-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105257 902949663 /nfs/dbraw/zinc/94/96/63/902949663.db2.gz KKJAXYNHVAHMKR-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105257 902949681 /nfs/dbraw/zinc/94/96/81/902949681.db2.gz KKJAXYNHVAHMKR-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001282016297 905409441 /nfs/dbraw/zinc/40/94/41/905409441.db2.gz WURSVNRXKASZGL-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282149509 905582613 /nfs/dbraw/zinc/58/26/13/905582613.db2.gz WJTLLJKDISWLRM-QWHCGFSZSA-N 2 2 314.389 1.309 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001283191523 906848761 /nfs/dbraw/zinc/84/87/61/906848761.db2.gz JFSPSKWSIKIDSV-CQSZACIVSA-N 2 2 303.406 1.531 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001284239983 908712611 /nfs/dbraw/zinc/71/26/11/908712611.db2.gz AMIIVIYGZCWGPC-CABCVRRESA-N 2 2 302.422 1.251 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000081645008 353685796 /nfs/dbraw/zinc/68/57/96/353685796.db2.gz APYQQZULDKGJJS-AWEZNQCLSA-N 2 2 319.836 1.768 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000081647792 353686547 /nfs/dbraw/zinc/68/65/47/353686547.db2.gz KHEOIIJJOUXHBD-GOSISDBHSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000081647792 353686550 /nfs/dbraw/zinc/68/65/50/353686550.db2.gz KHEOIIJJOUXHBD-GOSISDBHSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H](SCC)C2)CC1 ZINC000081672041 353687578 /nfs/dbraw/zinc/68/75/78/353687578.db2.gz SPBBCPYMBILTNQ-INIZCTEOSA-N 2 2 323.506 1.371 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H](SCC)C2)CC1 ZINC000081672041 353687581 /nfs/dbraw/zinc/68/75/81/353687581.db2.gz SPBBCPYMBILTNQ-INIZCTEOSA-N 2 2 323.506 1.371 20 30 DDEDLP C=CCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579571834 354720228 /nfs/dbraw/zinc/72/02/28/354720228.db2.gz CXZIFEKDXBXJLR-DLBZAZTESA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579571834 354720234 /nfs/dbraw/zinc/72/02/34/354720234.db2.gz CXZIFEKDXBXJLR-DLBZAZTESA-N 2 2 316.449 1.978 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000591581802 355330796 /nfs/dbraw/zinc/33/07/96/355330796.db2.gz VLSRRPBZNVHKKT-HOCLYGCPSA-N 2 2 302.397 1.817 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035691 356095337 /nfs/dbraw/zinc/09/53/37/356095337.db2.gz PSTOMJJZZYJRQG-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035691 356095338 /nfs/dbraw/zinc/09/53/38/356095338.db2.gz PSTOMJJZZYJRQG-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]([NH3+])CCCCC#N)cn21 ZINC000594449396 356221021 /nfs/dbraw/zinc/22/10/21/356221021.db2.gz IOOQQYBLDHIAPV-HNNXBMFYSA-N 2 2 313.405 1.713 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H]([NH3+])CCCCC#N)CC1(C)C ZINC000595946880 356718091 /nfs/dbraw/zinc/71/80/91/356718091.db2.gz JRUDQHFFSGSSMO-CHWSQXEVSA-N 2 2 303.410 1.741 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596276799 356842289 /nfs/dbraw/zinc/84/22/89/356842289.db2.gz FASZKLJOASZUTH-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596276799 356842291 /nfs/dbraw/zinc/84/22/91/356842291.db2.gz FASZKLJOASZUTH-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678528 358021278 /nfs/dbraw/zinc/02/12/78/358021278.db2.gz SQPZPJDMGQMGIM-KRWDZBQOSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599678528 358021280 /nfs/dbraw/zinc/02/12/80/358021280.db2.gz SQPZPJDMGQMGIM-KRWDZBQOSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678528 358021283 /nfs/dbraw/zinc/02/12/83/358021283.db2.gz SQPZPJDMGQMGIM-KRWDZBQOSA-N 2 2 301.434 1.812 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678528 358021288 /nfs/dbraw/zinc/02/12/88/358021288.db2.gz SQPZPJDMGQMGIM-KRWDZBQOSA-N 2 2 301.434 1.812 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610714302 360513452 /nfs/dbraw/zinc/51/34/52/360513452.db2.gz SJLHRRUZUAPELE-HQVVEAJESA-N 2 2 318.465 1.553 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610714302 360513455 /nfs/dbraw/zinc/51/34/55/360513455.db2.gz SJLHRRUZUAPELE-HQVVEAJESA-N 2 2 318.465 1.553 20 30 DDEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330945641 223156542 /nfs/dbraw/zinc/15/65/42/223156542.db2.gz HDCHCKDJWVBHKO-HIFRSBDPSA-N 2 2 306.410 1.789 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268112149 407894761 /nfs/dbraw/zinc/89/47/61/407894761.db2.gz MJDITDOAJFKVDC-UHFFFAOYSA-N 2 2 305.447 1.591 20 30 DDEDLP CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001468 409047657 /nfs/dbraw/zinc/04/76/57/409047657.db2.gz CYDLKYHBYLNENA-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001468 409047660 /nfs/dbraw/zinc/04/76/60/409047660.db2.gz CYDLKYHBYLNENA-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293001468 409047664 /nfs/dbraw/zinc/04/76/64/409047664.db2.gz CYDLKYHBYLNENA-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293001468 409047666 /nfs/dbraw/zinc/04/76/66/409047666.db2.gz CYDLKYHBYLNENA-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000328882484 410002781 /nfs/dbraw/zinc/00/27/81/410002781.db2.gz XCURFBSVMLTXPD-RBSFLKMASA-N 2 2 317.437 1.750 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000328882484 410002785 /nfs/dbraw/zinc/00/27/85/410002785.db2.gz XCURFBSVMLTXPD-RBSFLKMASA-N 2 2 317.437 1.750 20 30 DDEDLP C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1=CC[N@H+](C)CC1 ZINC000329261741 410201525 /nfs/dbraw/zinc/20/15/25/410201525.db2.gz AYFGCJOMWADYNC-ZDUSSCGKSA-N 2 2 317.437 1.802 20 30 DDEDLP C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1=CC[N@@H+](C)CC1 ZINC000329261741 410201531 /nfs/dbraw/zinc/20/15/31/410201531.db2.gz AYFGCJOMWADYNC-ZDUSSCGKSA-N 2 2 317.437 1.802 20 30 DDEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329833472 410456981 /nfs/dbraw/zinc/45/69/81/410456981.db2.gz KRVYVGDWAZVTCJ-ZNMIVQPWSA-N 2 2 319.453 1.979 20 30 DDEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329833472 410456985 /nfs/dbraw/zinc/45/69/85/410456985.db2.gz KRVYVGDWAZVTCJ-ZNMIVQPWSA-N 2 2 319.453 1.979 20 30 DDEDLP CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[NH+](CC)CC ZINC000359812134 410894490 /nfs/dbraw/zinc/89/44/90/410894490.db2.gz UATXSBQQNXJINB-MRXNPFEDSA-N 2 2 324.469 1.181 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246215180 222221202 /nfs/dbraw/zinc/22/12/02/222221202.db2.gz CUKYTYBKNGUGKA-HZPDHXFCSA-N 2 2 302.422 1.967 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246215180 222221204 /nfs/dbraw/zinc/22/12/04/222221204.db2.gz CUKYTYBKNGUGKA-HZPDHXFCSA-N 2 2 302.422 1.967 20 30 DDEDLP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261932988 222262347 /nfs/dbraw/zinc/26/23/47/222262347.db2.gz BUPGZHZUQOPDBV-GJZGRUSLSA-N 2 2 319.453 1.647 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367517379 418606748 /nfs/dbraw/zinc/60/67/48/418606748.db2.gz AMTVOHUAPUAEKT-KRWDZBQOSA-N 2 2 320.481 1.993 20 30 DDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000263279882 222307567 /nfs/dbraw/zinc/30/75/67/222307567.db2.gz ZSNSZGZSJMDJRJ-SOUVJXGZSA-N 2 2 310.486 1.921 20 30 DDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000263279882 222307568 /nfs/dbraw/zinc/30/75/68/222307568.db2.gz ZSNSZGZSJMDJRJ-SOUVJXGZSA-N 2 2 310.486 1.921 20 30 DDEDLP C[NH+]1CCC(CNc2ncncc2C#N)([NH+]2CCCCC2)CC1 ZINC000563619276 421529379 /nfs/dbraw/zinc/52/93/79/421529379.db2.gz DVRUDKVPQZZLKW-UHFFFAOYSA-N 2 2 314.437 1.132 20 30 DDEDLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000571198762 421696266 /nfs/dbraw/zinc/69/62/66/421696266.db2.gz YIBFOQCHDHRNDS-VVLHAWIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000571198762 421696269 /nfs/dbraw/zinc/69/62/69/421696269.db2.gz YIBFOQCHDHRNDS-VVLHAWIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000571198762 421696272 /nfs/dbraw/zinc/69/62/72/421696272.db2.gz YIBFOQCHDHRNDS-VVLHAWIVSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000571198762 421696275 /nfs/dbraw/zinc/69/62/75/421696275.db2.gz YIBFOQCHDHRNDS-VVLHAWIVSA-N 2 2 310.486 1.149 20 30 DDEDLP Cc1cc(NC[C@H](C)[NH+](C)C)c(C#N)c(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000596089853 422364160 /nfs/dbraw/zinc/36/41/60/422364160.db2.gz KVMZCSNABQKRTP-KBPBESRZSA-N 3 2 318.469 1.986 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316064 424562908 /nfs/dbraw/zinc/56/29/08/424562908.db2.gz HUWMUGXFYYNIQP-MRXNPFEDSA-N 2 2 311.470 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316064 424562912 /nfs/dbraw/zinc/56/29/12/424562912.db2.gz HUWMUGXFYYNIQP-MRXNPFEDSA-N 2 2 311.470 1.454 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(C#N)n2)CC1 ZINC000514671316 267279265 /nfs/dbraw/zinc/27/92/65/267279265.db2.gz DQOYGUBLGJDKSI-UHFFFAOYSA-N 2 2 316.409 1.101 20 30 DDEDLP C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272264848 277031607 /nfs/dbraw/zinc/03/16/07/277031607.db2.gz XNPRUARMRHPFON-KRWDZBQOSA-N 2 2 312.417 1.737 20 30 DDEDLP C[C@H]1C[N@H+](CCCSCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360691926 300256414 /nfs/dbraw/zinc/25/64/14/300256414.db2.gz NQVJVAHDHNHJEY-HOTGVXAUSA-N 2 2 310.511 1.591 20 30 DDEDLP C[C@H]1C[N@@H+](CCCSCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360691926 300256417 /nfs/dbraw/zinc/25/64/17/300256417.db2.gz NQVJVAHDHNHJEY-HOTGVXAUSA-N 2 2 310.511 1.591 20 30 DDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC000329792464 534489809 /nfs/dbraw/zinc/48/98/09/534489809.db2.gz ADYYRYGQNLAXNJ-OCCSQVGLSA-N 2 2 305.426 1.986 20 30 DDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC000329792464 534489815 /nfs/dbraw/zinc/48/98/15/534489815.db2.gz ADYYRYGQNLAXNJ-OCCSQVGLSA-N 2 2 305.426 1.986 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000491628810 526921434 /nfs/dbraw/zinc/92/14/34/526921434.db2.gz LENMKZDLTIHLIW-GOSISDBHSA-N 2 2 311.429 1.505 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000490948031 526949489 /nfs/dbraw/zinc/94/94/89/526949489.db2.gz CQKVDNDNDZDEEK-AWEZNQCLSA-N 2 2 319.474 1.793 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491674583 527330752 /nfs/dbraw/zinc/33/07/52/527330752.db2.gz KPPKYJSJYUGAQP-AWEZNQCLSA-N 2 2 305.447 1.346 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491674583 527330756 /nfs/dbraw/zinc/33/07/56/527330756.db2.gz KPPKYJSJYUGAQP-AWEZNQCLSA-N 2 2 305.447 1.346 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC=C)CC1(C)C ZINC000974688258 695712442 /nfs/dbraw/zinc/71/24/42/695712442.db2.gz XOASXSKIZPDYID-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC=C)CC1(C)C ZINC000974688258 695712443 /nfs/dbraw/zinc/71/24/43/695712443.db2.gz XOASXSKIZPDYID-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC=C)CC1(C)C ZINC000974688258 695712445 /nfs/dbraw/zinc/71/24/45/695712445.db2.gz XOASXSKIZPDYID-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC=C)CC1(C)C ZINC000974688258 695712446 /nfs/dbraw/zinc/71/24/46/695712446.db2.gz XOASXSKIZPDYID-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974779878 695732761 /nfs/dbraw/zinc/73/27/61/695732761.db2.gz RCQXCAJHFONDMM-MRXNPFEDSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974779878 695732762 /nfs/dbraw/zinc/73/27/62/695732762.db2.gz RCQXCAJHFONDMM-MRXNPFEDSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505278 696788640 /nfs/dbraw/zinc/78/86/40/696788640.db2.gz ZMOWPDYEUVTXLP-CVEARBPZSA-N 2 2 302.422 1.403 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505278 696788642 /nfs/dbraw/zinc/78/86/42/696788642.db2.gz ZMOWPDYEUVTXLP-CVEARBPZSA-N 2 2 302.422 1.403 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCF)C[C@]2(C)C1 ZINC000982298741 697087342 /nfs/dbraw/zinc/08/73/42/697087342.db2.gz LWOGPQGFEDHRGE-RYQLBKOJSA-N 2 2 321.440 1.224 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCF)C[C@]2(C)C1 ZINC000982298741 697087344 /nfs/dbraw/zinc/08/73/44/697087344.db2.gz LWOGPQGFEDHRGE-RYQLBKOJSA-N 2 2 321.440 1.224 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1 ZINC000982298741 697087345 /nfs/dbraw/zinc/08/73/45/697087345.db2.gz LWOGPQGFEDHRGE-RYQLBKOJSA-N 2 2 321.440 1.224 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1 ZINC000982298741 697087347 /nfs/dbraw/zinc/08/73/47/697087347.db2.gz LWOGPQGFEDHRGE-RYQLBKOJSA-N 2 2 321.440 1.224 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981487466 697109704 /nfs/dbraw/zinc/10/97/04/697109704.db2.gz RIGGLTSIIPYWQG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981487466 697109705 /nfs/dbraw/zinc/10/97/05/697109705.db2.gz RIGGLTSIIPYWQG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP COCC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677880 698021673 /nfs/dbraw/zinc/02/16/73/698021673.db2.gz VKFZALNTBIWAIE-UHFFFAOYSA-N 2 2 316.449 1.800 20 30 DDEDLP COCC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677880 698021675 /nfs/dbraw/zinc/02/16/75/698021675.db2.gz VKFZALNTBIWAIE-UHFFFAOYSA-N 2 2 316.449 1.800 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H]1C ZINC000987187689 698026764 /nfs/dbraw/zinc/02/67/64/698026764.db2.gz XSFYLQJKCWBWGH-ZBFHGGJFSA-N 2 2 312.417 1.950 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000987298250 698075140 /nfs/dbraw/zinc/07/51/40/698075140.db2.gz GDNDGYVMAINQGP-PBHICJAKSA-N 2 2 308.385 1.698 20 30 DDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261962381 698448052 /nfs/dbraw/zinc/44/80/52/698448052.db2.gz KPMITUHNWOGNTN-HOTGVXAUSA-N 2 2 318.469 1.437 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990105730 698954935 /nfs/dbraw/zinc/95/49/35/698954935.db2.gz DLBAJSLLVQENCY-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990105730 698954936 /nfs/dbraw/zinc/95/49/36/698954936.db2.gz DLBAJSLLVQENCY-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990105730 698954937 /nfs/dbraw/zinc/95/49/37/698954937.db2.gz DLBAJSLLVQENCY-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990105730 698954938 /nfs/dbraw/zinc/95/49/38/698954938.db2.gz DLBAJSLLVQENCY-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000759947032 700784279 /nfs/dbraw/zinc/78/42/79/700784279.db2.gz KXDFIYFRZZTZKY-SQNIBIBYSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000759947032 700784280 /nfs/dbraw/zinc/78/42/80/700784280.db2.gz KXDFIYFRZZTZKY-SQNIBIBYSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000759947032 700784281 /nfs/dbraw/zinc/78/42/81/700784281.db2.gz KXDFIYFRZZTZKY-SQNIBIBYSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000759947032 700784282 /nfs/dbraw/zinc/78/42/82/700784282.db2.gz KXDFIYFRZZTZKY-SQNIBIBYSA-N 2 2 311.429 1.646 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000763953350 700954869 /nfs/dbraw/zinc/95/48/69/700954869.db2.gz HTVNOUBXJJSRFW-UHFFFAOYSA-N 2 2 317.433 1.253 20 30 DDEDLP C[NH+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766637811 701057938 /nfs/dbraw/zinc/05/79/38/701057938.db2.gz QYYYNONABDRPKN-UHFFFAOYSA-N 2 2 314.433 1.440 20 30 DDEDLP CN(C)C(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771560273 701323377 /nfs/dbraw/zinc/32/33/77/701323377.db2.gz OVIDXHZGYXPARV-UHFFFAOYSA-N 2 2 305.451 1.208 20 30 DDEDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232005 706655944 /nfs/dbraw/zinc/65/59/44/706655944.db2.gz DUVSJEJRIZCUPK-GJZGRUSLSA-N 2 2 316.449 1.940 20 30 DDEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000819067093 704064383 /nfs/dbraw/zinc/06/43/83/704064383.db2.gz JXCHYJLDCNUIJI-SJORKVTESA-N 2 2 317.433 1.912 20 30 DDEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000819067093 704064384 /nfs/dbraw/zinc/06/43/84/704064384.db2.gz JXCHYJLDCNUIJI-SJORKVTESA-N 2 2 317.433 1.912 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596140 707951538 /nfs/dbraw/zinc/95/15/38/707951538.db2.gz WPHMZDUUGSQPPJ-DLBZAZTESA-N 2 2 320.481 1.454 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596140 707951540 /nfs/dbraw/zinc/95/15/40/707951540.db2.gz WPHMZDUUGSQPPJ-DLBZAZTESA-N 2 2 320.481 1.454 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886012940 708681489 /nfs/dbraw/zinc/68/14/89/708681489.db2.gz SPICTHAAEIIGLD-MRXNPFEDSA-N 2 2 309.454 1.210 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886012940 708681491 /nfs/dbraw/zinc/68/14/91/708681491.db2.gz SPICTHAAEIIGLD-MRXNPFEDSA-N 2 2 309.454 1.210 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000890372348 709844568 /nfs/dbraw/zinc/84/45/68/709844568.db2.gz HVPMVNNGGDOZDB-OAHLLOKOSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000890372348 709844577 /nfs/dbraw/zinc/84/45/77/709844577.db2.gz HVPMVNNGGDOZDB-OAHLLOKOSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000922927397 714189277 /nfs/dbraw/zinc/18/92/77/714189277.db2.gz ISAUVNMJTSNOEY-UHFFFAOYSA-N 2 2 300.406 1.595 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392262 714339425 /nfs/dbraw/zinc/33/94/25/714339425.db2.gz JKEOIQKXOIQOKF-HQVVEAJESA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392262 714339428 /nfs/dbraw/zinc/33/94/28/714339428.db2.gz JKEOIQKXOIQOKF-HQVVEAJESA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000925904806 714959828 /nfs/dbraw/zinc/95/98/28/714959828.db2.gz BLFYPKNEJJFISG-UHFFFAOYSA-N 2 2 321.812 1.756 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000957422203 715896145 /nfs/dbraw/zinc/89/61/45/715896145.db2.gz NPUUXTVFZLDKSI-UHFFFAOYSA-N 2 2 313.445 1.918 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960648599 716645804 /nfs/dbraw/zinc/64/58/04/716645804.db2.gz YLRPDMNOWWXWBL-LJIGWXMPSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960648599 716645808 /nfs/dbraw/zinc/64/58/08/716645808.db2.gz YLRPDMNOWWXWBL-LJIGWXMPSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289948 716898023 /nfs/dbraw/zinc/89/80/23/716898023.db2.gz YYPILDUQZTUNAO-HZPDHXFCSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289948 716898025 /nfs/dbraw/zinc/89/80/25/716898025.db2.gz YYPILDUQZTUNAO-HZPDHXFCSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941022556 717076970 /nfs/dbraw/zinc/07/69/70/717076970.db2.gz QNVDBWLWFFYXPS-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941022556 717076971 /nfs/dbraw/zinc/07/69/71/717076971.db2.gz QNVDBWLWFFYXPS-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942052841 717452218 /nfs/dbraw/zinc/45/22/18/717452218.db2.gz HJWFPJDAWXWSPY-CJNGLKHVSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942052841 717452221 /nfs/dbraw/zinc/45/22/21/717452221.db2.gz HJWFPJDAWXWSPY-CJNGLKHVSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314251 717738279 /nfs/dbraw/zinc/73/82/79/717738279.db2.gz KBWPWRMWNDZXFD-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314251 717738281 /nfs/dbraw/zinc/73/82/81/717738281.db2.gz KBWPWRMWNDZXFD-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314251 717738285 /nfs/dbraw/zinc/73/82/85/717738285.db2.gz KBWPWRMWNDZXFD-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314251 717738291 /nfs/dbraw/zinc/73/82/91/717738291.db2.gz KBWPWRMWNDZXFD-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C ZINC000968896384 719850861 /nfs/dbraw/zinc/85/08/61/719850861.db2.gz ONJQKNTVEUCNKF-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C ZINC000968896384 719850868 /nfs/dbraw/zinc/85/08/68/719850868.db2.gz ONJQKNTVEUCNKF-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C ZINC000968896384 719850876 /nfs/dbraw/zinc/85/08/76/719850876.db2.gz ONJQKNTVEUCNKF-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C ZINC000968896384 719850879 /nfs/dbraw/zinc/85/08/79/719850879.db2.gz ONJQKNTVEUCNKF-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968920683 719870138 /nfs/dbraw/zinc/87/01/38/719870138.db2.gz XQRZZRNGTODAOH-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968920683 719870147 /nfs/dbraw/zinc/87/01/47/719870147.db2.gz XQRZZRNGTODAOH-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970408344 720750555 /nfs/dbraw/zinc/75/05/55/720750555.db2.gz XBVOXZNWKAIGHD-TZMCWYRMSA-N 2 2 300.406 1.289 20 30 DDEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1)C(=O)OCC ZINC001209024668 732563857 /nfs/dbraw/zinc/56/38/57/732563857.db2.gz VYSFIFCZTROUGC-HOTGVXAUSA-N 2 2 309.454 1.905 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202050 733127375 /nfs/dbraw/zinc/12/73/75/733127375.db2.gz KKXUEANUPWLNGE-CABCVRRESA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348617 733260727 /nfs/dbraw/zinc/26/07/27/733260727.db2.gz OFFABQWUZRVGLF-OAHLLOKOSA-N 2 2 302.422 1.734 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202833 733391831 /nfs/dbraw/zinc/39/18/31/733391831.db2.gz NSUICBXZKQYAII-GJZGRUSLSA-N 2 2 314.433 1.393 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449811 735242544 /nfs/dbraw/zinc/24/25/44/735242544.db2.gz ZWPDDKCTCZMERL-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449811 735242548 /nfs/dbraw/zinc/24/25/48/735242548.db2.gz ZWPDDKCTCZMERL-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024618008 735985442 /nfs/dbraw/zinc/98/54/42/735985442.db2.gz OTYKHSVHRFEBNX-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307190 736014266 /nfs/dbraw/zinc/01/42/66/736014266.db2.gz VONFNWVQXZBNPT-OIISXLGYSA-N 2 2 314.433 1.581 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307190 736014272 /nfs/dbraw/zinc/01/42/72/736014272.db2.gz VONFNWVQXZBNPT-OIISXLGYSA-N 2 2 314.433 1.581 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728927 736682389 /nfs/dbraw/zinc/68/23/89/736682389.db2.gz HXLYPMWLYVEVPH-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018439 738939493 /nfs/dbraw/zinc/93/94/93/738939493.db2.gz UFTILHNJLBLTNR-HNNXBMFYSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018439 738939496 /nfs/dbraw/zinc/93/94/96/738939496.db2.gz UFTILHNJLBLTNR-HNNXBMFYSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC001026291084 737307032 /nfs/dbraw/zinc/30/70/32/737307032.db2.gz CEWXHNWLEUQTMS-CWRNSKLLSA-N 2 2 313.401 1.093 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001026400167 737482703 /nfs/dbraw/zinc/48/27/03/737482703.db2.gz FMUSVSHDULUOSP-NWANDNLSSA-N 2 2 322.840 1.542 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542369 739648243 /nfs/dbraw/zinc/64/82/43/739648243.db2.gz OOOJJCQAGNBNON-OAHLLOKOSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542369 739648245 /nfs/dbraw/zinc/64/82/45/739648245.db2.gz OOOJJCQAGNBNON-OAHLLOKOSA-N 2 2 310.401 1.718 20 30 DDEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028907807 740163472 /nfs/dbraw/zinc/16/34/72/740163472.db2.gz RQQGOCWBOZTCBY-OAHLLOKOSA-N 2 2 308.385 1.557 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028907807 740163475 /nfs/dbraw/zinc/16/34/75/740163475.db2.gz RQQGOCWBOZTCBY-OAHLLOKOSA-N 2 2 308.385 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989035 740931624 /nfs/dbraw/zinc/93/16/24/740931624.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989035 740931626 /nfs/dbraw/zinc/93/16/26/740931626.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989035 740931628 /nfs/dbraw/zinc/93/16/28/740931628.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989035 740931629 /nfs/dbraw/zinc/93/16/29/740931629.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035581509 751671641 /nfs/dbraw/zinc/67/16/41/751671641.db2.gz CPECUNKQKSUDBZ-AWEZNQCLSA-N 2 2 318.421 1.154 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035581509 751671645 /nfs/dbraw/zinc/67/16/45/751671645.db2.gz CPECUNKQKSUDBZ-AWEZNQCLSA-N 2 2 318.421 1.154 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595780 744255588 /nfs/dbraw/zinc/25/55/88/744255588.db2.gz WTLXTRIFMFRZDY-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](CC)CC1 ZINC001121716650 744870472 /nfs/dbraw/zinc/87/04/72/744870472.db2.gz PKCIXTWVKGQDIP-UHFFFAOYSA-N 2 2 304.442 1.202 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992488233 744914087 /nfs/dbraw/zinc/91/40/87/744914087.db2.gz NEOQLASQRBJWAP-GDBMZVCRSA-N 2 2 311.857 1.948 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992488233 744914088 /nfs/dbraw/zinc/91/40/88/744914088.db2.gz NEOQLASQRBJWAP-GDBMZVCRSA-N 2 2 311.857 1.948 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153805 745134768 /nfs/dbraw/zinc/13/47/68/745134768.db2.gz UUDDQZRWSUVKMX-HUUCEWRRSA-N 2 2 316.449 1.632 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988741 745396236 /nfs/dbraw/zinc/39/62/36/745396236.db2.gz HPSXAZCDQWYEFW-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988741 745396239 /nfs/dbraw/zinc/39/62/39/745396239.db2.gz HPSXAZCDQWYEFW-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990031 745398144 /nfs/dbraw/zinc/39/81/44/745398144.db2.gz WNBLMXPLQMMPMX-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990031 745398148 /nfs/dbraw/zinc/39/81/48/745398148.db2.gz WNBLMXPLQMMPMX-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191008829 745402715 /nfs/dbraw/zinc/40/27/15/745402715.db2.gz BPMKGDRXWVHQMN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191008829 745402717 /nfs/dbraw/zinc/40/27/17/745402717.db2.gz BPMKGDRXWVHQMN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018521 745405454 /nfs/dbraw/zinc/40/54/54/745405454.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018521 745405456 /nfs/dbraw/zinc/40/54/56/745405456.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018521 745405458 /nfs/dbraw/zinc/40/54/58/745405458.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018521 745405461 /nfs/dbraw/zinc/40/54/61/745405461.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479834 745518220 /nfs/dbraw/zinc/51/82/20/745518220.db2.gz RNHXNMLTDVOTRE-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479834 745518221 /nfs/dbraw/zinc/51/82/21/745518221.db2.gz RNHXNMLTDVOTRE-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339862 745613380 /nfs/dbraw/zinc/61/33/80/745613380.db2.gz CNILGYNZDWKLSZ-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239588 746312537 /nfs/dbraw/zinc/31/25/37/746312537.db2.gz JFDXFZFXDYFTSX-GJZGRUSLSA-N 2 2 302.422 1.866 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007383135 752118999 /nfs/dbraw/zinc/11/89/99/752118999.db2.gz URQGTAWWTSDEMM-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007383135 752119001 /nfs/dbraw/zinc/11/90/01/752119001.db2.gz URQGTAWWTSDEMM-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031677818 747367510 /nfs/dbraw/zinc/36/75/10/747367510.db2.gz YUEYYWVNCJPEAB-GDBMZVCRSA-N 2 2 314.433 1.388 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC2(C#N)CCC2)CC1 ZINC001199358874 747810552 /nfs/dbraw/zinc/81/05/52/747810552.db2.gz DASIWDUCVZSRRW-UHFFFAOYSA-N 2 2 313.405 1.257 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847686 748057198 /nfs/dbraw/zinc/05/71/98/748057198.db2.gz SPBHGVQDANQOMM-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847686 748057206 /nfs/dbraw/zinc/05/72/06/748057206.db2.gz SPBHGVQDANQOMM-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031917551 748203795 /nfs/dbraw/zinc/20/37/95/748203795.db2.gz AHVKXKIVFKDQTC-HNNXBMFYSA-N 2 2 313.873 1.909 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001031917551 748203800 /nfs/dbraw/zinc/20/38/00/748203800.db2.gz AHVKXKIVFKDQTC-HNNXBMFYSA-N 2 2 313.873 1.909 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096548 748247886 /nfs/dbraw/zinc/24/78/86/748247886.db2.gz MPTZJUIUHQQOGY-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096548 748247890 /nfs/dbraw/zinc/24/78/90/748247890.db2.gz MPTZJUIUHQQOGY-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200570396 748280949 /nfs/dbraw/zinc/28/09/49/748280949.db2.gz DXIXZWROIHQGET-UHFFFAOYSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595489 748573511 /nfs/dbraw/zinc/57/35/11/748573511.db2.gz IFFSFBGMHXKIEM-QGZVFWFLSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595489 748573516 /nfs/dbraw/zinc/57/35/16/748573516.db2.gz IFFSFBGMHXKIEM-QGZVFWFLSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114425242 749193237 /nfs/dbraw/zinc/19/32/37/749193237.db2.gz BDXKSAFOHRSNIL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001114425242 749193239 /nfs/dbraw/zinc/19/32/39/749193239.db2.gz BDXKSAFOHRSNIL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114425242 749193244 /nfs/dbraw/zinc/19/32/44/749193244.db2.gz BDXKSAFOHRSNIL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001114425242 749193246 /nfs/dbraw/zinc/19/32/46/749193246.db2.gz BDXKSAFOHRSNIL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033418572 749318171 /nfs/dbraw/zinc/31/81/71/749318171.db2.gz ZQSXHNNASYGGIP-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033418572 749318176 /nfs/dbraw/zinc/31/81/76/749318176.db2.gz ZQSXHNNASYGGIP-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415388 749875231 /nfs/dbraw/zinc/87/52/31/749875231.db2.gz YZIICTVKXVOAGG-PMPSAXMXSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415388 749875237 /nfs/dbraw/zinc/87/52/37/749875237.db2.gz YZIICTVKXVOAGG-PMPSAXMXSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619472 750086551 /nfs/dbraw/zinc/08/65/51/750086551.db2.gz GKBWNVDCFVRXMC-KMFMINBZSA-N 2 2 308.385 1.921 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619472 750086557 /nfs/dbraw/zinc/08/65/57/750086557.db2.gz 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C#CC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000999678380 753083415 /nfs/dbraw/zinc/08/34/15/753083415.db2.gz BUISXBWCFVBMOJ-UHFFFAOYSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000999875325 753223845 /nfs/dbraw/zinc/22/38/45/753223845.db2.gz WRFOBUHNMYMEMB-UHFFFAOYSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000999875325 753223847 /nfs/dbraw/zinc/22/38/47/753223847.db2.gz WRFOBUHNMYMEMB-UHFFFAOYSA-N 2 2 317.458 1.318 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800803 754080792 /nfs/dbraw/zinc/08/07/92/754080792.db2.gz ZGJYNCNTDCNFHW-IRXDYDNUSA-N 2 2 311.429 1.670 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739977 755559610 /nfs/dbraw/zinc/55/96/10/755559610.db2.gz RBQICCXVEPXTLU-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739977 755559614 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ZINC001049106564 770386396 /nfs/dbraw/zinc/38/63/96/770386396.db2.gz BQSDJQOPBAJDNB-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049106564 770386405 /nfs/dbraw/zinc/38/64/05/770386405.db2.gz BQSDJQOPBAJDNB-KFWWJZLASA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049369155 770745209 /nfs/dbraw/zinc/74/52/09/770745209.db2.gz LCKBLXHZAUGRCN-ZNMIVQPWSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001049369155 770745214 /nfs/dbraw/zinc/74/52/14/770745214.db2.gz LCKBLXHZAUGRCN-ZNMIVQPWSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369155 770745216 /nfs/dbraw/zinc/74/52/16/770745216.db2.gz LCKBLXHZAUGRCN-ZNMIVQPWSA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369155 770745220 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YGWXOLCTBUPMSS-YESZJQIVSA-N 2 2 314.433 1.923 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049760205 771139639 /nfs/dbraw/zinc/13/96/39/771139639.db2.gz YGWXOLCTBUPMSS-YESZJQIVSA-N 2 2 314.433 1.923 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134744094 771152054 /nfs/dbraw/zinc/15/20/54/771152054.db2.gz ITKIQAVBAUWECQ-KBPBESRZSA-N 2 2 303.406 1.529 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138050 771352281 /nfs/dbraw/zinc/35/22/81/771352281.db2.gz WJDJWBJWYAVNNE-GJZGRUSLSA-N 2 2 308.426 1.349 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959671 773745964 /nfs/dbraw/zinc/74/59/64/773745964.db2.gz OSLFFRAKRBFMTO-INIZCTEOSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358779 773757113 /nfs/dbraw/zinc/75/71/13/773757113.db2.gz JZXLZSNNXVNLAT-RBSFLKMASA-N 2 2 302.422 1.801 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358779 773757116 /nfs/dbraw/zinc/75/71/16/773757116.db2.gz JZXLZSNNXVNLAT-RBSFLKMASA-N 2 2 302.422 1.801 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074296394 773801094 /nfs/dbraw/zinc/80/10/94/773801094.db2.gz FTANSDPQVOLCFF-JKSUJKDBSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074296394 773801100 /nfs/dbraw/zinc/80/11/00/773801100.db2.gz FTANSDPQVOLCFF-JKSUJKDBSA-N 2 2 318.421 1.069 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121250 774851201 /nfs/dbraw/zinc/85/12/01/774851201.db2.gz UJBLHGXESZRBAE-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121250 774851208 /nfs/dbraw/zinc/85/12/08/774851208.db2.gz UJBLHGXESZRBAE-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867454 775018173 /nfs/dbraw/zinc/01/81/73/775018173.db2.gz VLYAQLHCDILJBU-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867454 775018181 /nfs/dbraw/zinc/01/81/81/775018181.db2.gz VLYAQLHCDILJBU-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604141 776365417 /nfs/dbraw/zinc/36/54/17/776365417.db2.gz GHZTVEMDSUZZHS-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100788948 776541764 /nfs/dbraw/zinc/54/17/64/776541764.db2.gz OSMKOGZNJVDCQV-UHFFFAOYSA-N 2 2 322.412 1.488 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266807684 836865728 /nfs/dbraw/zinc/86/57/28/836865728.db2.gz QIWWGUDVDMJTLA-ARFHVFGLSA-N 2 2 314.433 1.375 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266879728 836988670 /nfs/dbraw/zinc/98/86/70/836988670.db2.gz XETMZSSFUBJEJM-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897125 837022216 /nfs/dbraw/zinc/02/22/16/837022216.db2.gz LQHNRPVESRDFOB-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897125 837022229 /nfs/dbraw/zinc/02/22/29/837022229.db2.gz LQHNRPVESRDFOB-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001267095964 837332717 /nfs/dbraw/zinc/33/27/17/837332717.db2.gz AJCCITGNZAEVIF-UHFFFAOYSA-N 2 2 324.428 1.814 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001267095964 837332731 /nfs/dbraw/zinc/33/27/31/837332731.db2.gz AJCCITGNZAEVIF-UHFFFAOYSA-N 2 2 324.428 1.814 20 30 DDEDLP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001267857160 839085716 /nfs/dbraw/zinc/08/57/16/839085716.db2.gz VFBMRGGVVJKORW-DYVFJYSZSA-N 2 2 302.422 1.506 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001268175693 839795447 /nfs/dbraw/zinc/79/54/47/839795447.db2.gz WTTGMHJNZWEWRY-HOTGVXAUSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730947 840725519 /nfs/dbraw/zinc/72/55/19/840725519.db2.gz KIPRVWBMEIHVQB-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730947 840725524 /nfs/dbraw/zinc/72/55/24/840725524.db2.gz KIPRVWBMEIHVQB-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730947 840725532 /nfs/dbraw/zinc/72/55/32/840725532.db2.gz KIPRVWBMEIHVQB-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730947 840725537 /nfs/dbraw/zinc/72/55/37/840725537.db2.gz KIPRVWBMEIHVQB-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268888108 840949858 /nfs/dbraw/zinc/94/98/58/840949858.db2.gz NPNQONYDEBBUKS-KBPBESRZSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001268888108 840949866 /nfs/dbraw/zinc/94/98/66/840949866.db2.gz NPNQONYDEBBUKS-KBPBESRZSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001268979110 841078344 /nfs/dbraw/zinc/07/83/44/841078344.db2.gz XAMIHECWDJWOCJ-KBMXLJTQSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001268979110 841078356 /nfs/dbraw/zinc/07/83/56/841078356.db2.gz XAMIHECWDJWOCJ-KBMXLJTQSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001269618921 841833169 /nfs/dbraw/zinc/83/31/69/841833169.db2.gz ITNFJCXAECYVOH-CKEIUWERSA-N 2 2 300.406 1.411 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001269618921 841833176 /nfs/dbraw/zinc/83/31/76/841833176.db2.gz ITNFJCXAECYVOH-CKEIUWERSA-N 2 2 300.406 1.411 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491415 843646268 /nfs/dbraw/zinc/64/62/68/843646268.db2.gz RBOJZINXUPOFSF-GOEBONIOSA-N 2 2 310.401 1.716 20 30 DDEDLP C=CCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001272825578 847511536 /nfs/dbraw/zinc/51/15/36/847511536.db2.gz HHGHQWGUKKGOSQ-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272873422 847575629 /nfs/dbraw/zinc/57/56/29/847575629.db2.gz KMBHIXYBQWKGBG-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034250878 848167524 /nfs/dbraw/zinc/16/75/24/848167524.db2.gz XYZQVMJACQJBBD-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034250878 848167533 /nfs/dbraw/zinc/16/75/33/848167533.db2.gz XYZQVMJACQJBBD-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034250878 848167543 /nfs/dbraw/zinc/16/75/43/848167543.db2.gz XYZQVMJACQJBBD-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034250878 848167552 /nfs/dbraw/zinc/16/75/52/848167552.db2.gz XYZQVMJACQJBBD-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277172 848232063 /nfs/dbraw/zinc/23/20/63/848232063.db2.gz VRNISFLZTNMMGE-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277172 848232070 /nfs/dbraw/zinc/23/20/70/848232070.db2.gz VRNISFLZTNMMGE-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279856 848241808 /nfs/dbraw/zinc/24/18/08/848241808.db2.gz YIYVISXUMLPXIF-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279856 848241819 /nfs/dbraw/zinc/24/18/19/848241819.db2.gz YIYVISXUMLPXIF-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034280817 848244161 /nfs/dbraw/zinc/24/41/61/848244161.db2.gz HGAYANOZIRVZEQ-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034280817 848244164 /nfs/dbraw/zinc/24/41/64/848244164.db2.gz HGAYANOZIRVZEQ-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034407821 848453003 /nfs/dbraw/zinc/45/30/03/848453003.db2.gz DZXQNXPJKTXQOC-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034407821 848453009 /nfs/dbraw/zinc/45/30/09/848453009.db2.gz DZXQNXPJKTXQOC-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273542342 851079370 /nfs/dbraw/zinc/07/93/70/851079370.db2.gz KBDLFCMRRILLDA-INIZCTEOSA-N 2 2 314.433 1.552 20 30 DDEDLP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273616446 851154967 /nfs/dbraw/zinc/15/49/67/851154967.db2.gz VJIUYMCZTJEGMQ-CHWSQXEVSA-N 2 2 310.829 1.714 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+](C)C)O2 ZINC001273662849 851199894 /nfs/dbraw/zinc/19/98/94/851199894.db2.gz SJMPLYNMLOVPME-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001273825105 851386973 /nfs/dbraw/zinc/38/69/73/851386973.db2.gz NAOZYDGPRFXOJM-SFHVURJKSA-N 2 2 322.412 1.368 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001273825105 851386980 /nfs/dbraw/zinc/38/69/80/851386980.db2.gz NAOZYDGPRFXOJM-SFHVURJKSA-N 2 2 322.412 1.368 20 30 DDEDLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](CCCC#N)CC2 ZINC001274040482 851876291 /nfs/dbraw/zinc/87/62/91/851876291.db2.gz PQSJHMOZNXNULM-OAHLLOKOSA-N 2 2 315.421 1.442 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598357 862347327 /nfs/dbraw/zinc/34/73/27/862347327.db2.gz ZUHISTOVTGWNKO-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598357 862347342 /nfs/dbraw/zinc/34/73/42/862347342.db2.gz ZUHISTOVTGWNKO-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274567254 852400102 /nfs/dbraw/zinc/40/01/02/852400102.db2.gz YRRDWLXQBKPADB-CQSZACIVSA-N 2 2 320.437 1.108 20 30 DDEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274567254 852400110 /nfs/dbraw/zinc/40/01/10/852400110.db2.gz YRRDWLXQBKPADB-CQSZACIVSA-N 2 2 320.437 1.108 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001274652753 852486722 /nfs/dbraw/zinc/48/67/22/852486722.db2.gz GDADCNUGNWWUBK-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001274652753 852486729 /nfs/dbraw/zinc/48/67/29/852486729.db2.gz GDADCNUGNWWUBK-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cn1 ZINC001275034845 852762130 /nfs/dbraw/zinc/76/21/30/852762130.db2.gz QUVNVBFHLDXFGE-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cn1 ZINC001275034845 852762131 /nfs/dbraw/zinc/76/21/31/852762131.db2.gz QUVNVBFHLDXFGE-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824989 862481949 /nfs/dbraw/zinc/48/19/49/862481949.db2.gz PNRBQGZOBGLILH-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824989 862481951 /nfs/dbraw/zinc/48/19/51/862481951.db2.gz PNRBQGZOBGLILH-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275835922 853845832 /nfs/dbraw/zinc/84/58/32/853845832.db2.gz PKWNQELYNKLFCZ-CQSZACIVSA-N 2 2 302.422 1.222 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275835922 853845837 /nfs/dbraw/zinc/84/58/37/853845837.db2.gz PKWNQELYNKLFCZ-CQSZACIVSA-N 2 2 302.422 1.222 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001329849732 863894434 /nfs/dbraw/zinc/89/44/34/863894434.db2.gz VPZKETVZUFICLG-HNNXBMFYSA-N 2 2 302.422 1.876 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004718 864307044 /nfs/dbraw/zinc/30/70/44/864307044.db2.gz CHRHDEQESLVILI-CQSZACIVSA-N 2 2 303.406 1.483 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004718 864307052 /nfs/dbraw/zinc/30/70/52/864307052.db2.gz CHRHDEQESLVILI-CQSZACIVSA-N 2 2 303.406 1.483 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225310728 881773849 /nfs/dbraw/zinc/77/38/49/881773849.db2.gz WAWXOSXVRMYRQB-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277299 864535891 /nfs/dbraw/zinc/53/58/91/864535891.db2.gz PMZBGSZNBDENOW-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277299 864535905 /nfs/dbraw/zinc/53/59/05/864535905.db2.gz PMZBGSZNBDENOW-MRXNPFEDSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533693 864707666 /nfs/dbraw/zinc/70/76/66/864707666.db2.gz GEQPOPOZIHLQMQ-HZPDHXFCSA-N 2 2 302.422 1.780 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533693 864707681 /nfs/dbraw/zinc/70/76/81/864707681.db2.gz GEQPOPOZIHLQMQ-HZPDHXFCSA-N 2 2 302.422 1.780 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001319663153 866199952 /nfs/dbraw/zinc/19/99/52/866199952.db2.gz MBNBHVWVQDPWIX-HNNXBMFYSA-N 2 2 302.422 1.630 20 30 DDEDLP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001322305401 868106883 /nfs/dbraw/zinc/10/68/83/868106883.db2.gz DYBJFLHQTAHLHE-INIZCTEOSA-N 2 2 310.401 1.371 20 30 DDEDLP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001322305401 868106889 /nfs/dbraw/zinc/10/68/89/868106889.db2.gz DYBJFLHQTAHLHE-INIZCTEOSA-N 2 2 310.401 1.371 20 30 DDEDLP C[NH+](C)C1(CNc2cnc(C#N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001164210852 869018906 /nfs/dbraw/zinc/01/89/06/869018906.db2.gz JUPZBJNZFXPYSC-UHFFFAOYSA-N 2 2 318.381 1.299 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718888 869691062 /nfs/dbraw/zinc/69/10/62/869691062.db2.gz RUBUXYAJFURSSO-UHFFFAOYSA-N 2 2 304.438 1.989 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001317008597 870113640 /nfs/dbraw/zinc/11/36/40/870113640.db2.gz ZJPNPHPBVVVTFH-HNNXBMFYSA-N 2 2 300.406 1.267 20 30 DDEDLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317069670 870197435 /nfs/dbraw/zinc/19/74/35/870197435.db2.gz VDTFDSMHCFLFAR-KRWDZBQOSA-N 2 2 308.385 1.125 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317186753 870436462 /nfs/dbraw/zinc/43/64/62/870436462.db2.gz BFHARDIKHMJJLO-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317194953 870449123 /nfs/dbraw/zinc/44/91/23/870449123.db2.gz LVGKHBRCYVOEEW-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530891 870617583 /nfs/dbraw/zinc/61/75/83/870617583.db2.gz LPMIRGNCTGTHEJ-KGLIPLIRSA-N 2 2 302.422 1.935 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317323088 870641484 /nfs/dbraw/zinc/64/14/84/870641484.db2.gz DUYZRUUMYPKSNQ-OAHLLOKOSA-N 2 2 314.433 1.223 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203604409 870666902 /nfs/dbraw/zinc/66/69/02/870666902.db2.gz DHAHNIACUKRWNI-HZPDHXFCSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203677340 870706496 /nfs/dbraw/zinc/70/64/96/870706496.db2.gz KPLUUDPEEGNJHH-HZPDHXFCSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813424 870774416 /nfs/dbraw/zinc/77/44/16/870774416.db2.gz CPXRSWAZDVPZDA-HOTGVXAUSA-N 2 2 314.433 1.704 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317791106 871511011 /nfs/dbraw/zinc/51/10/11/871511011.db2.gz YYRQHBMCAHQNGE-OAHLLOKOSA-N 2 2 314.433 1.223 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317791106 871511043 /nfs/dbraw/zinc/51/10/43/871511043.db2.gz YYRQHBMCAHQNGE-OAHLLOKOSA-N 2 2 314.433 1.223 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802151 871524381 /nfs/dbraw/zinc/52/43/81/871524381.db2.gz IURBYGZYIQQHHW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802151 871524405 /nfs/dbraw/zinc/52/44/05/871524405.db2.gz IURBYGZYIQQHHW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802151 871524424 /nfs/dbraw/zinc/52/44/24/871524424.db2.gz IURBYGZYIQQHHW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802151 871524445 /nfs/dbraw/zinc/52/44/45/871524445.db2.gz IURBYGZYIQQHHW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001318175561 871794219 /nfs/dbraw/zinc/79/42/19/871794219.db2.gz BDAVWQGSDHLOQY-UHFFFAOYSA-N 2 2 313.445 1.426 20 30 DDEDLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001205967257 871964644 /nfs/dbraw/zinc/96/46/44/871964644.db2.gz LMAKPTMHVBOWLB-WOJBJXKFSA-N 2 2 306.409 1.980 20 30 DDEDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001205967257 871964651 /nfs/dbraw/zinc/96/46/51/871964651.db2.gz LMAKPTMHVBOWLB-WOJBJXKFSA-N 2 2 306.409 1.980 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450661 874153345 /nfs/dbraw/zinc/15/33/45/874153345.db2.gz JITIUTTZOJECCQ-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451032 874153820 /nfs/dbraw/zinc/15/38/20/874153820.db2.gz PTZFZFIOQXDTPE-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451032 874153821 /nfs/dbraw/zinc/15/38/21/874153821.db2.gz PTZFZFIOQXDTPE-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614044 874328765 /nfs/dbraw/zinc/32/87/65/874328765.db2.gz CTZCVTDCLZULSD-IBGZPJMESA-N 3 2 320.525 1.620 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208614044 874328776 /nfs/dbraw/zinc/32/87/76/874328776.db2.gz CTZCVTDCLZULSD-IBGZPJMESA-N 3 2 320.525 1.620 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208680176 874379909 /nfs/dbraw/zinc/37/99/09/874379909.db2.gz RNKCMPQYMMRHPM-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C[C@@H](O)CN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001348543566 874624850 /nfs/dbraw/zinc/62/48/50/874624850.db2.gz QFDXLFNFTMYUSS-CYBMUJFWSA-N 2 2 308.401 1.224 20 30 DDEDLP C=CCCC[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209162264 874700717 /nfs/dbraw/zinc/70/07/17/874700717.db2.gz UNUBEXOBAGYHQV-UHFFFAOYSA-N 2 2 303.454 1.412 20 30 DDEDLP C=CCCC[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209162264 874700722 /nfs/dbraw/zinc/70/07/22/874700722.db2.gz UNUBEXOBAGYHQV-UHFFFAOYSA-N 2 2 303.454 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977671 876118077 /nfs/dbraw/zinc/11/80/77/876118077.db2.gz STPTVSCNVJUGJF-IAGOWNOFSA-N 2 2 317.433 1.120 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977671 876118085 /nfs/dbraw/zinc/11/80/85/876118085.db2.gz STPTVSCNVJUGJF-IAGOWNOFSA-N 2 2 317.433 1.120 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977671 876118090 /nfs/dbraw/zinc/11/80/90/876118090.db2.gz STPTVSCNVJUGJF-IAGOWNOFSA-N 2 2 317.433 1.120 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977671 876118094 /nfs/dbraw/zinc/11/80/94/876118094.db2.gz STPTVSCNVJUGJF-IAGOWNOFSA-N 2 2 317.433 1.120 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001379461068 877131752 /nfs/dbraw/zinc/13/17/52/877131752.db2.gz OXHROBQZEBBDPP-SNVBAGLBSA-N 2 2 317.418 1.488 20 30 DDEDLP N#Cc1cc(N)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1C#N ZINC001218987243 877854373 /nfs/dbraw/zinc/85/43/73/877854373.db2.gz KLNHMJZGRBEUKB-OAHLLOKOSA-N 2 2 320.356 1.223 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947071 880162994 /nfs/dbraw/zinc/16/29/94/880162994.db2.gz QKVRRSNMMXOCPT-BFYDXBDKSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947071 880163006 /nfs/dbraw/zinc/16/30/06/880163006.db2.gz QKVRRSNMMXOCPT-BFYDXBDKSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229036761 883786835 /nfs/dbraw/zinc/78/68/35/883786835.db2.gz CUTGLLLFEZPBAE-NUEKZKHPSA-N 2 2 302.422 1.629 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229036761 883786846 /nfs/dbraw/zinc/78/68/46/883786846.db2.gz CUTGLLLFEZPBAE-NUEKZKHPSA-N 2 2 302.422 1.629 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277662736 886350013 /nfs/dbraw/zinc/35/00/13/886350013.db2.gz NEYTVABVGZFVCU-WBVHZDCISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)ncn2C)CC1 ZINC001235556076 888744443 /nfs/dbraw/zinc/74/44/43/888744443.db2.gz MYVIGGCENUBECM-UHFFFAOYSA-N 2 2 317.481 1.520 20 30 DDEDLP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001364728690 889288609 /nfs/dbraw/zinc/28/86/09/889288609.db2.gz MPMOCQIGIBSXJU-MAUKXSAKSA-N 2 2 312.461 1.966 20 30 DDEDLP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001364728690 889288614 /nfs/dbraw/zinc/28/86/14/889288614.db2.gz MPMOCQIGIBSXJU-MAUKXSAKSA-N 2 2 312.461 1.966 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278373454 891758022 /nfs/dbraw/zinc/75/80/22/891758022.db2.gz ZEPAKAJVGIYKHW-CZUORRHYSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278570059 894292207 /nfs/dbraw/zinc/29/22/07/894292207.db2.gz CHFACTHYUAYASH-DZGCQCFKSA-N 2 2 303.406 1.693 20 30 DDEDLP C=CCOC[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252473946 895192321 /nfs/dbraw/zinc/19/23/21/895192321.db2.gz SVECCUSYXCLLEX-QGZVFWFLSA-N 2 2 301.390 1.868 20 30 DDEDLP C=CCOC[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252473946 895192329 /nfs/dbraw/zinc/19/23/29/895192329.db2.gz SVECCUSYXCLLEX-QGZVFWFLSA-N 2 2 301.390 1.868 20 30 DDEDLP C=CCN1C(=O)CCC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001253185975 895693773 /nfs/dbraw/zinc/69/37/73/895693773.db2.gz WBEMGGXOXHMUQO-INIZCTEOSA-N 2 2 323.481 1.332 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001278705207 895743669 /nfs/dbraw/zinc/74/36/69/895743669.db2.gz UUTKBVLMJYCURB-VXGBXAGGSA-N 2 2 316.327 1.296 20 30 DDEDLP C#Cc1cncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001292959177 914121426 /nfs/dbraw/zinc/12/14/26/914121426.db2.gz VXUUCSSBOZWGDD-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP C#Cc1cncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001292959177 914121430 /nfs/dbraw/zinc/12/14/30/914121430.db2.gz VXUUCSSBOZWGDD-UHFFFAOYSA-N 2 2 314.433 1.161 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001278972300 897619684 /nfs/dbraw/zinc/61/96/84/897619684.db2.gz BRIAIJIDYYHDQB-GOEBONIOSA-N 2 2 316.449 1.589 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001367973262 898362533 /nfs/dbraw/zinc/36/25/33/898362533.db2.gz ARZSCBYIUCRNPR-CYBMUJFWSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001367973262 898362548 /nfs/dbraw/zinc/36/25/48/898362548.db2.gz ARZSCBYIUCRNPR-CYBMUJFWSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001367973262 898362560 /nfs/dbraw/zinc/36/25/60/898362560.db2.gz ARZSCBYIUCRNPR-CYBMUJFWSA-N 2 2 320.462 1.650 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001367973262 898362571 /nfs/dbraw/zinc/36/25/71/898362571.db2.gz ARZSCBYIUCRNPR-CYBMUJFWSA-N 2 2 320.462 1.650 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001263929043 900822010 /nfs/dbraw/zinc/82/20/10/900822010.db2.gz PLHRIKLXKHNATG-LSDHHAIUSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266075323 902893774 /nfs/dbraw/zinc/89/37/74/902893774.db2.gz LSMZIFBEBAXQIV-CABCVRRESA-N 2 2 302.422 1.393 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001280369759 903613642 /nfs/dbraw/zinc/61/36/42/903613642.db2.gz HFIUNUQAUHADPP-WKILWMFISA-N 2 2 316.449 1.641 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001377046575 920178680 /nfs/dbraw/zinc/17/86/80/920178680.db2.gz IKIYTOCKHFNFJY-OLZOCXBDSA-N 2 2 310.829 1.682 20 30 DDEDLP N#CCC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000578315877 354706892 /nfs/dbraw/zinc/70/68/92/354706892.db2.gz DIQRPJZVWFUEKA-INIZCTEOSA-N 2 2 300.406 1.387 20 30 DDEDLP N#CCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000578315877 354706897 /nfs/dbraw/zinc/70/68/97/354706897.db2.gz DIQRPJZVWFUEKA-INIZCTEOSA-N 2 2 300.406 1.387 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596425850 356875345 /nfs/dbraw/zinc/87/53/45/356875345.db2.gz WYQOXEZUWKKWDT-UHFFFAOYSA-N 2 2 306.370 1.157 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596425850 356875346 /nfs/dbraw/zinc/87/53/46/356875346.db2.gz WYQOXEZUWKKWDT-UHFFFAOYSA-N 2 2 306.370 1.157 20 30 DDEDLP C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC000329707123 223016235 /nfs/dbraw/zinc/01/62/35/223016235.db2.gz LHQSLKFGSHMXKR-DZGCQCFKSA-N 2 2 317.437 1.774 20 30 DDEDLP C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000329707123 223016239 /nfs/dbraw/zinc/01/62/39/223016239.db2.gz LHQSLKFGSHMXKR-DZGCQCFKSA-N 2 2 317.437 1.774 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157427 360268290 /nfs/dbraw/zinc/26/82/90/360268290.db2.gz OOANWFVYFUTXRX-OAHLLOKOSA-N 2 2 314.393 1.176 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157427 360268296 /nfs/dbraw/zinc/26/82/96/360268296.db2.gz OOANWFVYFUTXRX-OAHLLOKOSA-N 2 2 314.393 1.176 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000611387645 360709310 /nfs/dbraw/zinc/70/93/10/360709310.db2.gz RJGWLIBLHGSNOP-GJZGRUSLSA-N 2 2 314.433 1.761 20 30 DDEDLP N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000611533286 360750990 /nfs/dbraw/zinc/75/09/90/360750990.db2.gz REFWCQSKIAEFFL-UHFFFAOYSA-N 2 2 321.384 1.714 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC001120500879 781987472 /nfs/dbraw/zinc/98/74/72/781987472.db2.gz RVBQSFWAZNQXTJ-KRWDZBQOSA-N 2 2 302.418 1.422 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123800197 407339093 /nfs/dbraw/zinc/33/90/93/407339093.db2.gz UODNMGDFCXFGSW-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123800197 407339094 /nfs/dbraw/zinc/33/90/94/407339094.db2.gz UODNMGDFCXFGSW-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123800197 407339095 /nfs/dbraw/zinc/33/90/95/407339095.db2.gz UODNMGDFCXFGSW-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123800197 407339096 /nfs/dbraw/zinc/33/90/96/407339096.db2.gz UODNMGDFCXFGSW-BBRMVZONSA-N 2 2 300.406 1.911 20 30 DDEDLP C=CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000133178362 407823662 /nfs/dbraw/zinc/82/36/62/407823662.db2.gz FMNKVVWDBOMPSJ-UHFFFAOYSA-N 2 2 303.410 1.011 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000268511719 408077666 /nfs/dbraw/zinc/07/76/66/408077666.db2.gz CMDNBOOCHBGRNE-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000268511719 408077674 /nfs/dbraw/zinc/07/76/74/408077674.db2.gz CMDNBOOCHBGRNE-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274278257 408348617 /nfs/dbraw/zinc/34/86/17/408348617.db2.gz ULVOQEZTRDFQAS-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP CC[C@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)C(N)=O ZINC000159402386 408404383 /nfs/dbraw/zinc/40/43/83/408404383.db2.gz RTFFWBSJPJOVGX-HNNXBMFYSA-N 2 2 318.421 1.573 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292233985 409006090 /nfs/dbraw/zinc/00/60/90/409006090.db2.gz WDSPAXBJPULHRH-KBXCAEBGSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292233985 409006093 /nfs/dbraw/zinc/00/60/93/409006093.db2.gz WDSPAXBJPULHRH-KBXCAEBGSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292233985 409006094 /nfs/dbraw/zinc/00/60/94/409006094.db2.gz WDSPAXBJPULHRH-KBXCAEBGSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292233985 409006097 /nfs/dbraw/zinc/00/60/97/409006097.db2.gz WDSPAXBJPULHRH-KBXCAEBGSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@@H]1COC(C)(C)C[NH+]1CC#CC[N@H+]1CC(C)(C)OC[C@H]1C ZINC000342132138 409565519 /nfs/dbraw/zinc/56/55/19/409565519.db2.gz QCIADWJWRVQYKH-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1COC(C)(C)C[NH+]1CC#CC[N@@H+]1CC(C)(C)OC[C@H]1C ZINC000342132138 409565524 /nfs/dbraw/zinc/56/55/24/409565524.db2.gz QCIADWJWRVQYKH-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329739354 410429186 /nfs/dbraw/zinc/42/91/86/410429186.db2.gz NIDCOPSZJBFZQZ-OLZOCXBDSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329739354 410429193 /nfs/dbraw/zinc/42/91/93/410429193.db2.gz NIDCOPSZJBFZQZ-OLZOCXBDSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329739354 410429199 /nfs/dbraw/zinc/42/91/99/410429199.db2.gz NIDCOPSZJBFZQZ-OLZOCXBDSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329739354 410429205 /nfs/dbraw/zinc/42/92/05/410429205.db2.gz NIDCOPSZJBFZQZ-OLZOCXBDSA-N 2 2 303.410 1.351 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCC2)CC1 ZINC000330247228 410599095 /nfs/dbraw/zinc/59/90/95/410599095.db2.gz FMZZRTOXMGLWLS-CYBMUJFWSA-N 2 2 303.410 1.282 20 30 DDEDLP CN1CC[NH+](CC2CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000356351117 410978326 /nfs/dbraw/zinc/97/83/26/410978326.db2.gz YATSROKXEHUCLN-UHFFFAOYSA-N 2 2 319.478 1.474 20 30 DDEDLP CCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264129862 222322464 /nfs/dbraw/zinc/32/24/64/222322464.db2.gz XRRDOSBCQFCCAY-UHFFFAOYSA-N 2 2 304.438 1.723 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000262702133 222290659 /nfs/dbraw/zinc/29/06/59/222290659.db2.gz KYRGKTYSRAMGGP-OAHLLOKOSA-N 2 2 304.394 1.285 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000262702133 222290663 /nfs/dbraw/zinc/29/06/63/222290663.db2.gz KYRGKTYSRAMGGP-OAHLLOKOSA-N 2 2 304.394 1.285 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921661 222364872 /nfs/dbraw/zinc/36/48/72/222364872.db2.gz MHPIOYWXDIUERC-CJNGLKHVSA-N 2 2 303.410 1.644 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921661 222364875 /nfs/dbraw/zinc/36/48/75/222364875.db2.gz MHPIOYWXDIUERC-CJNGLKHVSA-N 2 2 303.410 1.644 20 30 DDEDLP Cc1nsc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000367939399 418660277 /nfs/dbraw/zinc/66/02/77/418660277.db2.gz UHVAHEZIOCCOHH-GFCCVEGCSA-N 2 2 305.451 1.904 20 30 DDEDLP CC#CCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372002314 418830024 /nfs/dbraw/zinc/83/00/24/418830024.db2.gz FQICOHSZPWCZAU-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372002314 418830027 /nfs/dbraw/zinc/83/00/27/418830027.db2.gz FQICOHSZPWCZAU-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424183281 420312770 /nfs/dbraw/zinc/31/27/70/420312770.db2.gz VEFMEQCSHPNNRH-ZIAGYGMSSA-N 2 2 303.410 1.222 20 30 DDEDLP COc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1C#N ZINC000440819068 420610590 /nfs/dbraw/zinc/61/05/90/420610590.db2.gz IMRNSFCHCLURGP-AWEZNQCLSA-N 2 2 303.406 1.767 20 30 DDEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449223380 420972436 /nfs/dbraw/zinc/97/24/36/420972436.db2.gz JMLWLKBXWYLZLU-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP CC(C)[N@@H+]1CCCC[C@@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462643 421200335 /nfs/dbraw/zinc/20/03/35/421200335.db2.gz ICDNKEGLVJWHEY-GOSISDBHSA-N 2 2 322.497 1.797 20 30 DDEDLP CC(C)[N@H+]1CCCC[C@@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462643 421200340 /nfs/dbraw/zinc/20/03/40/421200340.db2.gz ICDNKEGLVJWHEY-GOSISDBHSA-N 2 2 322.497 1.797 20 30 DDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752147 421202887 /nfs/dbraw/zinc/20/28/87/421202887.db2.gz ZFQSPPSHNOMBNR-PKOBYXMFSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752147 421202890 /nfs/dbraw/zinc/20/28/90/421202890.db2.gz ZFQSPPSHNOMBNR-PKOBYXMFSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752147 421202893 /nfs/dbraw/zinc/20/28/93/421202893.db2.gz ZFQSPPSHNOMBNR-PKOBYXMFSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCc2ccccc21 ZINC000491752147 421202895 /nfs/dbraw/zinc/20/28/95/421202895.db2.gz ZFQSPPSHNOMBNR-PKOBYXMFSA-N 2 2 316.445 1.548 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000530334791 421594861 /nfs/dbraw/zinc/59/48/61/421594861.db2.gz WQLDPYPYUCUWPO-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000530334791 421594863 /nfs/dbraw/zinc/59/48/63/421594863.db2.gz WQLDPYPYUCUWPO-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000530334791 421594867 /nfs/dbraw/zinc/59/48/67/421594867.db2.gz WQLDPYPYUCUWPO-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000530334791 421594868 /nfs/dbraw/zinc/59/48/68/421594868.db2.gz WQLDPYPYUCUWPO-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165245 421617325 /nfs/dbraw/zinc/61/73/25/421617325.db2.gz JFMRVYPNFGHFSW-CHWSQXEVSA-N 2 2 301.394 1.160 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165245 421617328 /nfs/dbraw/zinc/61/73/28/421617328.db2.gz JFMRVYPNFGHFSW-CHWSQXEVSA-N 2 2 301.394 1.160 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578946950 422675388 /nfs/dbraw/zinc/67/53/88/422675388.db2.gz VYMUCVDSZWGDJJ-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578946950 422675393 /nfs/dbraw/zinc/67/53/93/422675393.db2.gz VYMUCVDSZWGDJJ-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]CCCCNc3cccc[nH+]3)cnc12 ZINC000521624595 268318589 /nfs/dbraw/zinc/31/85/89/268318589.db2.gz PFJWZAAIPPJYQH-UHFFFAOYSA-N 2 2 321.388 1.978 20 30 DDEDLP C[C@H]1C[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331426704 280002496 /nfs/dbraw/zinc/00/24/96/280002496.db2.gz BRZHWWFFRCFEOL-KBPBESRZSA-N 2 2 319.453 1.241 20 30 DDEDLP C[C@H]1C[C@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331426704 280002499 /nfs/dbraw/zinc/00/24/99/280002499.db2.gz BRZHWWFFRCFEOL-KBPBESRZSA-N 2 2 319.453 1.241 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000113516444 289195698 /nfs/dbraw/zinc/19/56/98/289195698.db2.gz UMOVJYAYFWHTJS-INIZCTEOSA-N 2 2 314.433 1.817 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000113516444 289195699 /nfs/dbraw/zinc/19/56/99/289195699.db2.gz UMOVJYAYFWHTJS-INIZCTEOSA-N 2 2 314.433 1.817 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022703 /nfs/dbraw/zinc/02/27/03/308022703.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022705 /nfs/dbraw/zinc/02/27/05/308022705.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022709 /nfs/dbraw/zinc/02/27/09/308022709.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 2 2 305.422 1.490 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437642 341293954 /nfs/dbraw/zinc/29/39/54/341293954.db2.gz RPEGAIMQTABRKI-JLJPHGGASA-N 2 2 306.454 1.457 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437642 341293955 /nfs/dbraw/zinc/29/39/55/341293955.db2.gz RPEGAIMQTABRKI-JLJPHGGASA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437642 341293956 /nfs/dbraw/zinc/29/39/56/341293956.db2.gz RPEGAIMQTABRKI-JLJPHGGASA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437642 341293957 /nfs/dbraw/zinc/29/39/57/341293957.db2.gz RPEGAIMQTABRKI-JLJPHGGASA-N 2 2 306.454 1.457 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000675828728 486049534 /nfs/dbraw/zinc/04/95/34/486049534.db2.gz ZTBPNEPEKSLOGJ-CQSZACIVSA-N 2 2 312.421 1.963 20 30 DDEDLP C=C(C)[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)OCC ZINC000339377805 526747942 /nfs/dbraw/zinc/74/79/42/526747942.db2.gz MTVYFRFEVLPMKF-MRXNPFEDSA-N 2 2 311.470 1.500 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491305371 526802481 /nfs/dbraw/zinc/80/24/81/526802481.db2.gz IRKKWZLBVLWGGA-UHFFFAOYSA-N 2 2 301.381 1.035 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491305371 526802483 /nfs/dbraw/zinc/80/24/83/526802483.db2.gz IRKKWZLBVLWGGA-UHFFFAOYSA-N 2 2 301.381 1.035 20 30 DDEDLP C#CC[N@@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000490841604 526895834 /nfs/dbraw/zinc/89/58/34/526895834.db2.gz WAOBAWARPADUKG-UHFFFAOYSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CC[N@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000490841604 526895840 /nfs/dbraw/zinc/89/58/40/526895840.db2.gz WAOBAWARPADUKG-UHFFFAOYSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000491623498 526947186 /nfs/dbraw/zinc/94/71/86/526947186.db2.gz GCDJVVAPSPEAEN-UHFFFAOYSA-N 2 2 317.408 1.343 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000491623498 526947190 /nfs/dbraw/zinc/94/71/90/526947190.db2.gz GCDJVVAPSPEAEN-UHFFFAOYSA-N 2 2 317.408 1.343 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)CC1 ZINC000491325897 526952831 /nfs/dbraw/zinc/95/28/31/526952831.db2.gz HZJXAJQYDRWLPM-CABCVRRESA-N 2 2 314.433 1.031 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329862630 529008867 /nfs/dbraw/zinc/00/88/67/529008867.db2.gz YQGHDFJKLMYEIE-AWEZNQCLSA-N 2 2 305.426 1.733 20 30 DDEDLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329862630 529008872 /nfs/dbraw/zinc/00/88/72/529008872.db2.gz YQGHDFJKLMYEIE-AWEZNQCLSA-N 2 2 305.426 1.733 20 30 DDEDLP CCN1CCN(C(=O)N[C@H](C)CC[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331036238 529107963 /nfs/dbraw/zinc/10/79/63/529107963.db2.gz NFFBEXWXHXIHMT-KGLIPLIRSA-N 2 2 322.457 1.343 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980191102 696704999 /nfs/dbraw/zinc/70/49/99/696704999.db2.gz FHYAIHMXGXOORZ-IHRRRGAJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980191102 696705001 /nfs/dbraw/zinc/70/50/01/696705001.db2.gz FHYAIHMXGXOORZ-IHRRRGAJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011403 695138895 /nfs/dbraw/zinc/13/88/95/695138895.db2.gz IHNUTPNNCQVQFS-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011403 695138896 /nfs/dbraw/zinc/13/88/96/695138896.db2.gz IHNUTPNNCQVQFS-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011403 695138897 /nfs/dbraw/zinc/13/88/97/695138897.db2.gz IHNUTPNNCQVQFS-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011403 695138898 /nfs/dbraw/zinc/13/88/98/695138898.db2.gz IHNUTPNNCQVQFS-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537651 695276200 /nfs/dbraw/zinc/27/62/00/695276200.db2.gz JWDSSEDGZCEQRE-WBVHZDCISA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537651 695276202 /nfs/dbraw/zinc/27/62/02/695276202.db2.gz JWDSSEDGZCEQRE-WBVHZDCISA-N 2 2 309.454 1.062 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C ZINC000974682996 695711184 /nfs/dbraw/zinc/71/11/84/695711184.db2.gz AJICJPZOJZNFSZ-GJZGRUSLSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC000974682996 695711186 /nfs/dbraw/zinc/71/11/86/695711186.db2.gz AJICJPZOJZNFSZ-GJZGRUSLSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCF)CC1(C)C ZINC000974682996 695711187 /nfs/dbraw/zinc/71/11/87/695711187.db2.gz AJICJPZOJZNFSZ-GJZGRUSLSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCF)CC1(C)C ZINC000974682996 695711188 /nfs/dbraw/zinc/71/11/88/695711188.db2.gz AJICJPZOJZNFSZ-GJZGRUSLSA-N 2 2 309.429 1.270 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755758 695727422 /nfs/dbraw/zinc/72/74/22/695727422.db2.gz XFNVJBHMSIYWRB-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755758 695727424 /nfs/dbraw/zinc/72/74/24/695727424.db2.gz XFNVJBHMSIYWRB-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958909 696985709 /nfs/dbraw/zinc/98/57/09/696985709.db2.gz IRANYDAXMRKILT-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958909 696985710 /nfs/dbraw/zinc/98/57/10/696985710.db2.gz IRANYDAXMRKILT-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000985495772 697519739 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1.603 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423157 749339943 /nfs/dbraw/zinc/33/99/43/749339943.db2.gz NYMPMAZFRSAEMT-AWEZNQCLSA-N 2 2 318.421 1.603 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001095556259 750037195 /nfs/dbraw/zinc/03/71/95/750037195.db2.gz IENHCPCKLNNWHV-OWSLCNJRSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001095556259 750037200 /nfs/dbraw/zinc/03/72/00/750037200.db2.gz IENHCPCKLNNWHV-OWSLCNJRSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001095556259 750037206 /nfs/dbraw/zinc/03/72/06/750037206.db2.gz IENHCPCKLNNWHV-OWSLCNJRSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001095556259 750037215 /nfs/dbraw/zinc/03/72/15/750037215.db2.gz IENHCPCKLNNWHV-OWSLCNJRSA-N 2 2 317.477 1.852 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950823 750172779 /nfs/dbraw/zinc/17/27/79/750172779.db2.gz YJAUUBPDKKZHAE-GJZGRUSLSA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950823 750172782 /nfs/dbraw/zinc/17/27/82/750172782.db2.gz YJAUUBPDKKZHAE-GJZGRUSLSA-N 2 2 314.433 1.776 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953710 750252780 /nfs/dbraw/zinc/25/27/80/750252780.db2.gz FAAMEFIHMXJWFY-MCIONIFRSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953710 750252784 /nfs/dbraw/zinc/25/27/84/750252784.db2.gz FAAMEFIHMXJWFY-MCIONIFRSA-N 2 2 311.857 1.802 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465263 762056796 /nfs/dbraw/zinc/05/67/96/762056796.db2.gz XHZOAGSYCBOZIP-WBVHZDCISA-N 2 2 314.433 1.441 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465263 762056805 /nfs/dbraw/zinc/05/68/05/762056805.db2.gz XHZOAGSYCBOZIP-WBVHZDCISA-N 2 2 314.433 1.441 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514590 751154606 /nfs/dbraw/zinc/15/46/06/751154606.db2.gz YFTWFNNLGFXKQC-HOTGVXAUSA-N 2 2 321.384 1.189 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514590 751154608 /nfs/dbraw/zinc/15/46/08/751154608.db2.gz YFTWFNNLGFXKQC-HOTGVXAUSA-N 2 2 321.384 1.189 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008581918 752811938 /nfs/dbraw/zinc/81/19/38/752811938.db2.gz JXHIIKDAGIEWIH-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008581918 752811947 /nfs/dbraw/zinc/81/19/47/752811947.db2.gz JXHIIKDAGIEWIH-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999991546 753301317 /nfs/dbraw/zinc/30/13/17/753301317.db2.gz KZMJGQODSXJPFF-DOTOQJQBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999991546 753301321 /nfs/dbraw/zinc/30/13/21/753301321.db2.gz KZMJGQODSXJPFF-DOTOQJQBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702016 753495959 /nfs/dbraw/zinc/49/59/59/753495959.db2.gz HABGJBUMWFZSAQ-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702016 753495962 /nfs/dbraw/zinc/49/59/62/753495962.db2.gz HABGJBUMWFZSAQ-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP N#Cc1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C(F)(F)F ZINC001169073999 762221338 /nfs/dbraw/zinc/22/13/38/762221338.db2.gz PCXNNZOUQNRMSP-MRVPVSSYSA-N 2 2 311.267 1.020 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001078630386 754237927 /nfs/dbraw/zinc/23/79/27/754237927.db2.gz XXFQODWQIBKJRL-JKSUJKDBSA-N 2 2 322.412 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710420 755541996 /nfs/dbraw/zinc/54/19/96/755541996.db2.gz HZCKIISXTKLNTF-KCPJHIHWSA-N 2 2 311.857 1.517 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079710420 755541999 /nfs/dbraw/zinc/54/19/99/755541999.db2.gz HZCKIISXTKLNTF-KCPJHIHWSA-N 2 2 311.857 1.517 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081234104 756273254 /nfs/dbraw/zinc/27/32/54/756273254.db2.gz VGDHTEBNVRGYSR-DLBZAZTESA-N 2 2 308.385 1.101 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016260986 756884210 /nfs/dbraw/zinc/88/42/10/756884210.db2.gz SZYAHUBCNKXPJU-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016260986 756884213 /nfs/dbraw/zinc/88/42/13/756884213.db2.gz SZYAHUBCNKXPJU-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001016695914 757275793 /nfs/dbraw/zinc/27/57/93/757275793.db2.gz UITIJHXGNKXQPZ-GJZGRUSLSA-N 2 2 312.417 1.049 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052608 758507511 /nfs/dbraw/zinc/50/75/11/758507511.db2.gz QJSPLJIBHDQLNV-BDXSIMOUSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052608 758507523 /nfs/dbraw/zinc/50/75/23/758507523.db2.gz QJSPLJIBHDQLNV-BDXSIMOUSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052608 758507530 /nfs/dbraw/zinc/50/75/30/758507530.db2.gz QJSPLJIBHDQLNV-BDXSIMOUSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052608 758507534 /nfs/dbraw/zinc/50/75/34/758507534.db2.gz QJSPLJIBHDQLNV-BDXSIMOUSA-N 2 2 315.461 1.702 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857430 758891046 /nfs/dbraw/zinc/89/10/46/758891046.db2.gz DXEPZJYCRUILMR-HNNXBMFYSA-N 2 2 319.449 1.150 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219217 759305315 /nfs/dbraw/zinc/30/53/15/759305315.db2.gz KFACHEXNSZDONP-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054219217 759305320 /nfs/dbraw/zinc/30/53/20/759305320.db2.gz KFACHEXNSZDONP-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233430 759323471 /nfs/dbraw/zinc/32/34/71/759323471.db2.gz LAARGEQNGDMZHF-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233430 759323484 /nfs/dbraw/zinc/32/34/84/759323484.db2.gz LAARGEQNGDMZHF-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622852 759865396 /nfs/dbraw/zinc/86/53/96/759865396.db2.gz FYNPQTVDMQRASI-HNNXBMFYSA-N 2 2 319.474 1.979 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622852 759865403 /nfs/dbraw/zinc/86/54/03/759865403.db2.gz FYNPQTVDMQRASI-HNNXBMFYSA-N 2 2 319.474 1.979 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001054791066 760086973 /nfs/dbraw/zinc/08/69/73/760086973.db2.gz MVFMSMLXSQFLHU-HIFRSBDPSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788215 760241761 /nfs/dbraw/zinc/24/17/61/760241761.db2.gz GKZRHDHGVWUIOE-NVXWUHKLSA-N 2 2 316.449 1.863 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788215 760241766 /nfs/dbraw/zinc/24/17/66/760241766.db2.gz GKZRHDHGVWUIOE-NVXWUHKLSA-N 2 2 316.449 1.863 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788216 760241837 /nfs/dbraw/zinc/24/18/37/760241837.db2.gz GKZRHDHGVWUIOE-RDJZCZTQSA-N 2 2 316.449 1.863 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788216 760241840 /nfs/dbraw/zinc/24/18/40/760241840.db2.gz GKZRHDHGVWUIOE-RDJZCZTQSA-N 2 2 316.449 1.863 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816592 760298173 /nfs/dbraw/zinc/29/81/73/760298173.db2.gz AYAMPJWKFYWHPE-CABCVRRESA-N 2 2 302.422 1.473 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816592 760298178 /nfs/dbraw/zinc/29/81/78/760298178.db2.gz AYAMPJWKFYWHPE-CABCVRRESA-N 2 2 302.422 1.473 20 30 DDEDLP C=CCC[NH+]1CC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001038271334 760963535 /nfs/dbraw/zinc/96/35/35/760963535.db2.gz DSLFVGZZYKLAKC-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[NH+]1CC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001038271334 760963541 /nfs/dbraw/zinc/96/35/41/760963541.db2.gz DSLFVGZZYKLAKC-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001038271334 760963543 /nfs/dbraw/zinc/96/35/43/760963543.db2.gz DSLFVGZZYKLAKC-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001038271334 760963549 /nfs/dbraw/zinc/96/35/49/760963549.db2.gz DSLFVGZZYKLAKC-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108249389 761109294 /nfs/dbraw/zinc/10/92/94/761109294.db2.gz CBSFGYVBMCAAKO-WBVHZDCISA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001108249389 761109299 /nfs/dbraw/zinc/10/92/99/761109299.db2.gz CBSFGYVBMCAAKO-WBVHZDCISA-N 2 2 320.437 1.617 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038911108 761537211 /nfs/dbraw/zinc/53/72/11/761537211.db2.gz XQEHUZFSWMMRBQ-IAGOWNOFSA-N 2 2 305.466 1.855 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038911108 761537217 /nfs/dbraw/zinc/53/72/17/761537217.db2.gz XQEHUZFSWMMRBQ-IAGOWNOFSA-N 2 2 305.466 1.855 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038911108 761537223 /nfs/dbraw/zinc/53/72/23/761537223.db2.gz XQEHUZFSWMMRBQ-IAGOWNOFSA-N 2 2 305.466 1.855 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038911108 761537229 /nfs/dbraw/zinc/53/72/29/761537229.db2.gz XQEHUZFSWMMRBQ-IAGOWNOFSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223612 761858918 /nfs/dbraw/zinc/85/89/18/761858918.db2.gz XMJSXKFQBGYBQK-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223612 761858925 /nfs/dbraw/zinc/85/89/25/761858925.db2.gz XMJSXKFQBGYBQK-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001001501299 762918871 /nfs/dbraw/zinc/91/88/71/762918871.db2.gz TUPOSQPQERGUPH-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001001501299 762918873 /nfs/dbraw/zinc/91/88/73/762918873.db2.gz TUPOSQPQERGUPH-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001539814 762945035 /nfs/dbraw/zinc/94/50/35/762945035.db2.gz TWEGGYADPRYMST-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108807636 762958213 /nfs/dbraw/zinc/95/82/13/762958213.db2.gz GUFWCXVQVMPOHO-ZNMIVQPWSA-N 2 2 300.406 1.253 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001567219 762967811 /nfs/dbraw/zinc/96/78/11/762967811.db2.gz ZDYMUJNDFWAYAH-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041664060 763208024 /nfs/dbraw/zinc/20/80/24/763208024.db2.gz LLXFLHGMFPOCNO-KSSFIOAISA-N 2 2 312.417 1.387 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041664060 763208031 /nfs/dbraw/zinc/20/80/31/763208031.db2.gz LLXFLHGMFPOCNO-KSSFIOAISA-N 2 2 312.417 1.387 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733369 763267732 /nfs/dbraw/zinc/26/77/32/763267732.db2.gz UOEXBZGMCLVTFM-YOEHRIQHSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733369 763267737 /nfs/dbraw/zinc/26/77/37/763267737.db2.gz UOEXBZGMCLVTFM-YOEHRIQHSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733369 763267740 /nfs/dbraw/zinc/26/77/40/763267740.db2.gz UOEXBZGMCLVTFM-YOEHRIQHSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733369 763267747 /nfs/dbraw/zinc/26/77/47/763267747.db2.gz UOEXBZGMCLVTFM-YOEHRIQHSA-N 2 2 300.406 1.146 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787933 763331680 /nfs/dbraw/zinc/33/16/80/763331680.db2.gz UIRKAGXAXABXFZ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787933 763331688 /nfs/dbraw/zinc/33/16/88/763331688.db2.gz UIRKAGXAXABXFZ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042336206 763935537 /nfs/dbraw/zinc/93/55/37/763935537.db2.gz UKVYUXUANKNVJJ-GDBMZVCRSA-N 2 2 300.406 1.207 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042336206 763935546 /nfs/dbraw/zinc/93/55/46/763935546.db2.gz UKVYUXUANKNVJJ-GDBMZVCRSA-N 2 2 300.406 1.207 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050755308 764004858 /nfs/dbraw/zinc/00/48/58/764004858.db2.gz KEVHFMWVGPNTLG-UHFFFAOYSA-N 2 2 322.840 1.868 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)CC1 ZINC001044333439 765489094 /nfs/dbraw/zinc/48/90/94/765489094.db2.gz QXIVQGGJBVTRTB-UHFFFAOYSA-N 2 2 303.450 1.440 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419070 765675318 /nfs/dbraw/zinc/67/53/18/765675318.db2.gz LUYJIXBNMVPFST-DLBZAZTESA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113419070 765675327 /nfs/dbraw/zinc/67/53/27/765675327.db2.gz LUYJIXBNMVPFST-DLBZAZTESA-N 2 2 321.465 1.350 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052463402 765852861 /nfs/dbraw/zinc/85/28/61/765852861.db2.gz SCYOFBIZZDDPLC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052463402 765852868 /nfs/dbraw/zinc/85/28/68/765852868.db2.gz SCYOFBIZZDDPLC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052463402 765852873 /nfs/dbraw/zinc/85/28/73/765852873.db2.gz SCYOFBIZZDDPLC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052463402 765852880 /nfs/dbraw/zinc/85/28/80/765852880.db2.gz SCYOFBIZZDDPLC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045398067 766282278 /nfs/dbraw/zinc/28/22/78/766282278.db2.gz TUCDYPOQTZATMW-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398067 766282283 /nfs/dbraw/zinc/28/22/83/766282283.db2.gz TUCDYPOQTZATMW-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046425996 767547429 /nfs/dbraw/zinc/54/74/29/767547429.db2.gz LWBZSOWTZCWLGT-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046425996 767547432 /nfs/dbraw/zinc/54/74/32/767547432.db2.gz LWBZSOWTZCWLGT-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001130487624 767562472 /nfs/dbraw/zinc/56/24/72/767562472.db2.gz IOGFVAISGGOFOW-INIZCTEOSA-N 2 2 323.400 1.223 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457715 768871393 /nfs/dbraw/zinc/87/13/93/768871393.db2.gz LWLSDWMSYMTPIQ-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132457715 768871407 /nfs/dbraw/zinc/87/14/07/768871407.db2.gz LWLSDWMSYMTPIQ-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983128 769387325 /nfs/dbraw/zinc/38/73/25/769387325.db2.gz XFVYKAUIWXJTIF-HUUCEWRRSA-N 2 2 310.401 1.655 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133272282 769657798 /nfs/dbraw/zinc/65/77/98/769657798.db2.gz XYLKKVDVZKLYST-HIFRSBDPSA-N 2 2 304.438 1.911 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606693 769704873 /nfs/dbraw/zinc/70/48/73/769704873.db2.gz KPDQNZJEUVQTGK-HUUCEWRRSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071606693 769704882 /nfs/dbraw/zinc/70/48/82/769704882.db2.gz KPDQNZJEUVQTGK-HUUCEWRRSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCF ZINC001049528777 770982900 /nfs/dbraw/zinc/98/29/00/770982900.db2.gz IIIRLXIJBQKZNX-PMPSAXMXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCF ZINC001049528777 770982905 /nfs/dbraw/zinc/98/29/05/770982905.db2.gz IIIRLXIJBQKZNX-PMPSAXMXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCF ZINC001049528777 770982910 /nfs/dbraw/zinc/98/29/10/770982910.db2.gz IIIRLXIJBQKZNX-PMPSAXMXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCF ZINC001049528777 770982914 /nfs/dbraw/zinc/98/29/14/770982914.db2.gz IIIRLXIJBQKZNX-PMPSAXMXSA-N 2 2 307.413 1.119 20 30 DDEDLP C=C(Br)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134494736 771026065 /nfs/dbraw/zinc/02/60/65/771026065.db2.gz GJVUSGBGODTTJM-NSHDSACASA-N 2 2 315.215 1.449 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845452 771202200 /nfs/dbraw/zinc/20/22/00/771202200.db2.gz AOKBGIWYPMSYAL-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845452 771202202 /nfs/dbraw/zinc/20/22/02/771202202.db2.gz AOKBGIWYPMSYAL-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848422 771205487 /nfs/dbraw/zinc/20/54/87/771205487.db2.gz KJHIZWOKFDEYHN-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848422 771205493 /nfs/dbraw/zinc/20/54/93/771205493.db2.gz KJHIZWOKFDEYHN-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086737575 771539552 /nfs/dbraw/zinc/53/95/52/771539552.db2.gz PQPHOIVHOBJAHE-RRFJBIMHSA-N 2 2 314.433 1.331 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086737575 771539555 /nfs/dbraw/zinc/53/95/55/771539555.db2.gz PQPHOIVHOBJAHE-RRFJBIMHSA-N 2 2 314.433 1.331 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152630 772450951 /nfs/dbraw/zinc/45/09/51/772450951.db2.gz RDHCZMBDEKGMHR-HNNXBMFYSA-N 2 2 320.437 1.257 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152630 772450952 /nfs/dbraw/zinc/45/09/52/772450952.db2.gz RDHCZMBDEKGMHR-HNNXBMFYSA-N 2 2 320.437 1.257 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561893 772895266 /nfs/dbraw/zinc/89/52/66/772895266.db2.gz LDGXMWYSPZKVQF-ZIAGYGMSSA-N 2 2 319.474 1.612 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561893 772895269 /nfs/dbraw/zinc/89/52/69/772895269.db2.gz LDGXMWYSPZKVQF-ZIAGYGMSSA-N 2 2 319.474 1.612 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074345779 773841589 /nfs/dbraw/zinc/84/15/89/773841589.db2.gz GYEMKLMSSYXHPD-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074345779 773841591 /nfs/dbraw/zinc/84/15/91/773841591.db2.gz GYEMKLMSSYXHPD-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734405 774428174 /nfs/dbraw/zinc/42/81/74/774428174.db2.gz RAMZCXNFQCCGSC-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734405 774428177 /nfs/dbraw/zinc/42/81/77/774428177.db2.gz RAMZCXNFQCCGSC-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734405 774428178 /nfs/dbraw/zinc/42/81/78/774428178.db2.gz RAMZCXNFQCCGSC-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734405 774428181 /nfs/dbraw/zinc/42/81/81/774428181.db2.gz RAMZCXNFQCCGSC-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138250 774858818 /nfs/dbraw/zinc/85/88/18/774858818.db2.gz ZVXBAVBBWDVNHD-YOEHRIQHSA-N 2 2 302.422 1.807 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138250 774858825 /nfs/dbraw/zinc/85/88/25/774858825.db2.gz ZVXBAVBBWDVNHD-YOEHRIQHSA-N 2 2 302.422 1.807 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148549 774864470 /nfs/dbraw/zinc/86/44/70/774864470.db2.gz GFADZVLGMGEFCW-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148549 774864480 /nfs/dbraw/zinc/86/44/80/774864480.db2.gz GFADZVLGMGEFCW-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487882 776298347 /nfs/dbraw/zinc/29/83/47/776298347.db2.gz YDSNQHYORNCJAW-HNNXBMFYSA-N 2 2 317.433 1.921 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819177 776589925 /nfs/dbraw/zinc/58/99/25/776589925.db2.gz JLMHJKQQIHJNBQ-UHFFFAOYSA-N 2 2 322.412 1.994 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179018840 779247702 /nfs/dbraw/zinc/24/77/02/779247702.db2.gz LQYUCXOLLIASCL-KKUMJFAQSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891017 837008200 /nfs/dbraw/zinc/00/82/00/837008200.db2.gz NETYWYQDLJQSPV-CVEARBPZSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891017 837008211 /nfs/dbraw/zinc/00/82/11/837008211.db2.gz NETYWYQDLJQSPV-CVEARBPZSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897124 837021690 /nfs/dbraw/zinc/02/16/90/837021690.db2.gz LQHNRPVESRDFOB-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897124 837021697 /nfs/dbraw/zinc/02/16/97/837021697.db2.gz LQHNRPVESRDFOB-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271953898 844234050 /nfs/dbraw/zinc/23/40/50/844234050.db2.gz OGWBREHQGSANHN-UHFFFAOYSA-N 2 2 314.433 1.311 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267111090 837368998 /nfs/dbraw/zinc/36/89/98/837368998.db2.gz FVZVTSYQZFSAID-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267111090 837369005 /nfs/dbraw/zinc/36/90/05/837369005.db2.gz FVZVTSYQZFSAID-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267634326 838542146 /nfs/dbraw/zinc/54/21/46/838542146.db2.gz RHIJWBHRPIGUDH-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267634326 838542149 /nfs/dbraw/zinc/54/21/49/838542149.db2.gz RHIJWBHRPIGUDH-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268107715 839696282 /nfs/dbraw/zinc/69/62/82/839696282.db2.gz CZNVTDBQJWTRGR-JKSUJKDBSA-N 2 2 316.449 1.589 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268166500 839782486 /nfs/dbraw/zinc/78/24/86/839782486.db2.gz MDCBLYJJSHVNEM-RDJZCZTQSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268166500 839782496 /nfs/dbraw/zinc/78/24/96/839782496.db2.gz MDCBLYJJSHVNEM-RDJZCZTQSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnc(C)o1 ZINC001268458941 840230693 /nfs/dbraw/zinc/23/06/93/840230693.db2.gz LIJMQHFQCSIDMX-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnc(C)o1 ZINC001268458941 840230700 /nfs/dbraw/zinc/23/07/00/840230700.db2.gz LIJMQHFQCSIDMX-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268888111 840949711 /nfs/dbraw/zinc/94/97/11/840949711.db2.gz NPNQONYDEBBUKS-UONOGXRCSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001268888111 840949717 /nfs/dbraw/zinc/94/97/17/840949717.db2.gz NPNQONYDEBBUKS-UONOGXRCSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001270613864 842718483 /nfs/dbraw/zinc/71/84/83/842718483.db2.gz AFROGISWZZYTGQ-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001270613864 842718487 /nfs/dbraw/zinc/71/84/87/842718487.db2.gz AFROGISWZZYTGQ-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271553375 843692509 /nfs/dbraw/zinc/69/25/09/843692509.db2.gz YILBRVDKCFAXNS-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809305 847464415 /nfs/dbraw/zinc/46/44/15/847464415.db2.gz ZAROPVMCDBXTGS-KRWDZBQOSA-N 2 2 313.405 1.365 20 30 DDEDLP N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809305 847464422 /nfs/dbraw/zinc/46/44/22/847464422.db2.gz ZAROPVMCDBXTGS-KRWDZBQOSA-N 2 2 313.405 1.365 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034401273 848467376 /nfs/dbraw/zinc/46/73/76/848467376.db2.gz FWRHIAQQQBFGJV-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034401273 848467383 /nfs/dbraw/zinc/46/73/83/848467383.db2.gz FWRHIAQQQBFGJV-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1C#N ZINC001155364191 861997189 /nfs/dbraw/zinc/99/71/89/861997189.db2.gz WZMHCXHCJVBPLB-CYBMUJFWSA-N 2 2 319.840 1.774 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001114481407 851684101 /nfs/dbraw/zinc/68/41/01/851684101.db2.gz XNFKOTIVRVNICM-SIXLDLHFSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001114481407 851684108 /nfs/dbraw/zinc/68/41/08/851684108.db2.gz XNFKOTIVRVNICM-SIXLDLHFSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CCC[NH2+]C/C=C\CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001274048927 851889848 /nfs/dbraw/zinc/88/98/48/851889848.db2.gz RECVHNVHAAQGLD-WAYWQWQTSA-N 2 2 302.422 1.600 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100747 852805583 /nfs/dbraw/zinc/80/55/83/852805583.db2.gz QVRUBFJAFLLQPX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100747 852805587 /nfs/dbraw/zinc/80/55/87/852805587.db2.gz QVRUBFJAFLLQPX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275100747 852805589 /nfs/dbraw/zinc/80/55/89/852805589.db2.gz QVRUBFJAFLLQPX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275100747 852805593 /nfs/dbraw/zinc/80/55/93/852805593.db2.gz QVRUBFJAFLLQPX-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150777398 862464917 /nfs/dbraw/zinc/46/49/17/862464917.db2.gz DNQQWOBXESDFBR-CQSZACIVSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777398 862464918 /nfs/dbraw/zinc/46/49/18/862464918.db2.gz DNQQWOBXESDFBR-CQSZACIVSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777398 862464922 /nfs/dbraw/zinc/46/49/22/862464922.db2.gz DNQQWOBXESDFBR-CQSZACIVSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777398 862464925 /nfs/dbraw/zinc/46/49/25/862464925.db2.gz DNQQWOBXESDFBR-CQSZACIVSA-N 2 2 317.861 1.286 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826035 862485050 /nfs/dbraw/zinc/48/50/50/862485050.db2.gz ZOFSZWKQEMSZMQ-JKSUJKDBSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826035 862485058 /nfs/dbraw/zinc/48/50/58/862485058.db2.gz ZOFSZWKQEMSZMQ-JKSUJKDBSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415175 862762617 /nfs/dbraw/zinc/76/26/17/862762617.db2.gz GETFHMFVCKVXSZ-UHFFFAOYSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561018 856978043 /nfs/dbraw/zinc/97/80/43/856978043.db2.gz GHKKGCNGISJJRZ-HYVNUMGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561018 856978050 /nfs/dbraw/zinc/97/80/50/856978050.db2.gz GHKKGCNGISJJRZ-HYVNUMGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001328558001 863063921 /nfs/dbraw/zinc/06/39/21/863063921.db2.gz JCPYLZXHGFLKFH-UHFFFAOYSA-N 2 2 320.437 1.170 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001328632129 863119336 /nfs/dbraw/zinc/11/93/36/863119336.db2.gz NUVITHJZJYLMME-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747380 864097503 /nfs/dbraw/zinc/09/75/03/864097503.db2.gz DAZUULNSDWVGFI-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747380 864097519 /nfs/dbraw/zinc/09/75/19/864097519.db2.gz DAZUULNSDWVGFI-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747380 864097534 /nfs/dbraw/zinc/09/75/34/864097534.db2.gz DAZUULNSDWVGFI-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747380 864097549 /nfs/dbraw/zinc/09/75/49/864097549.db2.gz DAZUULNSDWVGFI-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747786 864100024 /nfs/dbraw/zinc/10/00/24/864100024.db2.gz HRZMNQTUEFEZOF-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747786 864100036 /nfs/dbraw/zinc/10/00/36/864100036.db2.gz HRZMNQTUEFEZOF-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747786 864100049 /nfs/dbraw/zinc/10/00/49/864100049.db2.gz HRZMNQTUEFEZOF-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747786 864100057 /nfs/dbraw/zinc/10/00/57/864100057.db2.gz HRZMNQTUEFEZOF-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001330309079 864227830 /nfs/dbraw/zinc/22/78/30/864227830.db2.gz KCQCYNOSTCYHDU-WCXIOVBPSA-N 2 2 316.449 1.950 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001330309079 864227846 /nfs/dbraw/zinc/22/78/46/864227846.db2.gz KCQCYNOSTCYHDU-WCXIOVBPSA-N 2 2 316.449 1.950 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330339963 864253683 /nfs/dbraw/zinc/25/36/83/864253683.db2.gz MGHOJANBLLNOKH-QCEMKRCNSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330339963 864253696 /nfs/dbraw/zinc/25/36/96/864253696.db2.gz MGHOJANBLLNOKH-QCEMKRCNSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083302 864397602 /nfs/dbraw/zinc/39/76/02/864397602.db2.gz QCOBPDVFQJWAEZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083302 864397612 /nfs/dbraw/zinc/39/76/12/864397612.db2.gz QCOBPDVFQJWAEZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001330552208 864447399 /nfs/dbraw/zinc/44/73/99/864447399.db2.gz VEHXSOKBJUZLQJ-AWEZNQCLSA-N 2 2 318.421 1.126 20 30 DDEDLP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001319862899 866352908 /nfs/dbraw/zinc/35/29/08/866352908.db2.gz HZCQUCFADCUJHZ-ZBFHGGJFSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001324752198 867499611 /nfs/dbraw/zinc/49/96/11/867499611.db2.gz PNZNOEWCEJZLDN-YJBOKZPZSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001324756635 867504001 /nfs/dbraw/zinc/50/40/01/867504001.db2.gz CXOZNXWCZDXHKJ-GOSISDBHSA-N 2 2 310.401 1.799 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325427981 868021760 /nfs/dbraw/zinc/02/17/60/868021760.db2.gz KWFAMTDWSJXYAD-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317040542 870151141 /nfs/dbraw/zinc/15/11/41/870151141.db2.gz QOIGZZKDADRRGL-HNNXBMFYSA-N 2 2 316.449 1.881 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317040542 870151146 /nfs/dbraw/zinc/15/11/46/870151146.db2.gz QOIGZZKDADRRGL-HNNXBMFYSA-N 2 2 316.449 1.881 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317328239 870650461 /nfs/dbraw/zinc/65/04/61/870650461.db2.gz ZXDFBEKRSHPTOA-IAGOWNOFSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1OCC ZINC001316693132 871191168 /nfs/dbraw/zinc/19/11/68/871191168.db2.gz LEOCSQWRYCKNQC-ARFHVFGLSA-N 2 2 320.437 1.473 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317767338 871479606 /nfs/dbraw/zinc/47/96/06/871479606.db2.gz OPKKKMCEVFDKIN-KRWDZBQOSA-N 2 2 316.449 1.918 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317767338 871479608 /nfs/dbraw/zinc/47/96/08/871479608.db2.gz OPKKKMCEVFDKIN-KRWDZBQOSA-N 2 2 316.449 1.918 20 30 DDEDLP CC#CC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCC1 ZINC001318643925 872184327 /nfs/dbraw/zinc/18/43/27/872184327.db2.gz YVYGNXYLBUHVCX-UHFFFAOYSA-N 2 2 315.417 1.675 20 30 DDEDLP C#CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001318760607 872254025 /nfs/dbraw/zinc/25/40/25/872254025.db2.gz SPRPAOQWWAHZSF-NVXWUHKLSA-N 2 2 302.422 1.561 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001206941510 872814762 /nfs/dbraw/zinc/81/47/62/872814762.db2.gz AQDZILPXQBCXQN-KRWDZBQOSA-N 2 2 321.465 1.111 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450938 874152696 /nfs/dbraw/zinc/15/26/96/874152696.db2.gz OBLJQDHWYOQJMH-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209267382 874765766 /nfs/dbraw/zinc/76/57/66/874765766.db2.gz OVTILWGCMZJIOL-INIZCTEOSA-N 2 2 315.465 1.421 20 30 DDEDLP C#CCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209267382 874765774 /nfs/dbraw/zinc/76/57/74/874765774.db2.gz OVTILWGCMZJIOL-INIZCTEOSA-N 2 2 315.465 1.421 20 30 DDEDLP C[NH+]1CCC(n2cc([NH+]=C(NO)c3ccccc3N)cn2)CC1 ZINC001210761141 875519273 /nfs/dbraw/zinc/51/92/73/875519273.db2.gz ZJRMZHXTUOOQNV-UHFFFAOYSA-N 2 2 314.393 1.789 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672734 876434152 /nfs/dbraw/zinc/43/41/52/876434152.db2.gz VCJHKLKSEBVOTK-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630504 877002668 /nfs/dbraw/zinc/00/26/68/877002668.db2.gz HTNZDANJKDAAGH-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001217000261 877105813 /nfs/dbraw/zinc/10/58/13/877105813.db2.gz HCHYHNYMOJROBG-SJLPKXTDSA-N 2 2 322.412 1.371 20 30 DDEDLP N#Cc1c2c(sc1NC(=O)c1cnc(C[NH3+])s1)C[NH2+]CC2 ZINC001218553909 877561845 /nfs/dbraw/zinc/56/18/45/877561845.db2.gz UAZYGYXQSCJCBT-UHFFFAOYSA-N 2 2 319.415 1.433 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277663324 886362945 /nfs/dbraw/zinc/36/29/45/886362945.db2.gz VMIWSLHRPOWQPL-WBVHZDCISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001252469201 895184349 /nfs/dbraw/zinc/18/43/49/895184349.db2.gz WXXDPEGCKHFQHQ-IRXDYDNUSA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001252469201 895184355 /nfs/dbraw/zinc/18/43/55/895184355.db2.gz WXXDPEGCKHFQHQ-IRXDYDNUSA-N 2 2 312.454 1.125 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038233 897942687 /nfs/dbraw/zinc/94/26/87/897942687.db2.gz GHPZQVXFGYGDTM-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001264996461 901410564 /nfs/dbraw/zinc/41/05/64/901410564.db2.gz IWRZFDRJHQBROW-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001264996461 901410567 /nfs/dbraw/zinc/41/05/67/901410567.db2.gz IWRZFDRJHQBROW-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001264996461 901410569 /nfs/dbraw/zinc/41/05/69/901410569.db2.gz IWRZFDRJHQBROW-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001264996461 901410573 /nfs/dbraw/zinc/41/05/73/901410573.db2.gz IWRZFDRJHQBROW-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CCC[NH+]1CCC(C2(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001279368227 903238410 /nfs/dbraw/zinc/23/84/10/903238410.db2.gz KNTYFPUBFGKKHS-UHFFFAOYSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cnoc1C ZINC001282402077 905749709 /nfs/dbraw/zinc/74/97/09/905749709.db2.gz LWWBZPQKDDRXBP-CJNGLKHVSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cnoc1C ZINC001282402077 905749714 /nfs/dbraw/zinc/74/97/14/905749714.db2.gz LWWBZPQKDDRXBP-CJNGLKHVSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cnoc1C ZINC001282402077 905749723 /nfs/dbraw/zinc/74/97/23/905749723.db2.gz LWWBZPQKDDRXBP-CJNGLKHVSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnoc1C ZINC001282402077 905749734 /nfs/dbraw/zinc/74/97/34/905749734.db2.gz LWWBZPQKDDRXBP-CJNGLKHVSA-N 2 2 318.421 1.017 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974492 353641519 /nfs/dbraw/zinc/64/15/19/353641519.db2.gz MHPIOYWXDIUERC-BBRMVZONSA-N 2 2 303.410 1.644 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974492 353641523 /nfs/dbraw/zinc/64/15/23/353641523.db2.gz MHPIOYWXDIUERC-BBRMVZONSA-N 2 2 303.410 1.644 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000081671589 353687619 /nfs/dbraw/zinc/68/76/19/353687619.db2.gz DJELBVOIVAVGCZ-HNNXBMFYSA-N 2 2 315.417 1.162 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000081671589 353687623 /nfs/dbraw/zinc/68/76/23/353687623.db2.gz DJELBVOIVAVGCZ-HNNXBMFYSA-N 2 2 315.417 1.162 20 30 DDEDLP CC[C@H](C#N)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000593747296 355984995 /nfs/dbraw/zinc/98/49/95/355984995.db2.gz MGMPLQXNLNZQGT-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[C@H](C#N)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000593747296 355984997 /nfs/dbraw/zinc/98/49/97/355984997.db2.gz MGMPLQXNLNZQGT-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594441415 356216999 /nfs/dbraw/zinc/21/69/99/356216999.db2.gz RQPUJCVLZPNEDI-HNNXBMFYSA-N 2 2 315.421 1.578 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596166682 356799665 /nfs/dbraw/zinc/79/96/65/356799665.db2.gz ADLUCZVVFIWRLP-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000597989864 357408342 /nfs/dbraw/zinc/40/83/42/357408342.db2.gz KXQZNCZGVKZNGE-UHFFFAOYSA-N 2 2 324.375 1.450 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000597989864 357408347 /nfs/dbraw/zinc/40/83/47/357408347.db2.gz KXQZNCZGVKZNGE-UHFFFAOYSA-N 2 2 324.375 1.450 20 30 DDEDLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000599656474 358010457 /nfs/dbraw/zinc/01/04/57/358010457.db2.gz VTGRBYTZVRFDHA-LVQVYYBASA-N 2 2 309.454 1.519 20 30 DDEDLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000599656474 358010459 /nfs/dbraw/zinc/01/04/59/358010459.db2.gz VTGRBYTZVRFDHA-LVQVYYBASA-N 2 2 309.454 1.519 20 30 DDEDLP CC[C@](C)(C#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601803693 358700071 /nfs/dbraw/zinc/70/00/71/358700071.db2.gz HJGACERANRLZAT-MRXNPFEDSA-N 2 2 301.394 1.712 20 30 DDEDLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)c1 ZINC000602863545 359249403 /nfs/dbraw/zinc/24/94/03/359249403.db2.gz NZVKAYFCWQSQPD-MRXNPFEDSA-N 2 2 314.433 1.531 20 30 DDEDLP COCC[NH+](CCOC)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602829896 359222745 /nfs/dbraw/zinc/22/27/45/359222745.db2.gz RQTCBDWPXFHLET-UHFFFAOYSA-N 2 2 309.454 1.739 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602978375 359337109 /nfs/dbraw/zinc/33/71/09/359337109.db2.gz PSCYTFZQEHSCNV-GDBMZVCRSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602978375 359337117 /nfs/dbraw/zinc/33/71/17/359337117.db2.gz PSCYTFZQEHSCNV-GDBMZVCRSA-N 2 2 306.454 1.599 20 30 DDEDLP [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329899337 223044488 /nfs/dbraw/zinc/04/44/88/223044488.db2.gz MZCVGSSJIOARPM-STQMWFEESA-N 2 2 314.393 1.161 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899337 223044490 /nfs/dbraw/zinc/04/44/90/223044490.db2.gz MZCVGSSJIOARPM-STQMWFEESA-N 2 2 314.393 1.161 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611211145 360661430 /nfs/dbraw/zinc/66/14/30/360661430.db2.gz GLNVZJNRBGUBBN-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611211145 360661434 /nfs/dbraw/zinc/66/14/34/360661434.db2.gz GLNVZJNRBGUBBN-QAPCUYQASA-N 2 2 313.449 1.411 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330195936 223085629 /nfs/dbraw/zinc/08/56/29/223085629.db2.gz PLCXQEWQKHDGGV-ZDUSSCGKSA-N 2 2 305.426 1.576 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087251 367331158 /nfs/dbraw/zinc/33/11/58/367331158.db2.gz HPWGFHFBMMWEED-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123799753 407338813 /nfs/dbraw/zinc/33/88/13/407338813.db2.gz UODNMGDFCXFGSW-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123799753 407338815 /nfs/dbraw/zinc/33/88/15/407338815.db2.gz UODNMGDFCXFGSW-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799753 407338816 /nfs/dbraw/zinc/33/88/16/407338816.db2.gz UODNMGDFCXFGSW-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799753 407338818 /nfs/dbraw/zinc/33/88/18/407338818.db2.gz UODNMGDFCXFGSW-XJKSGUPXSA-N 2 2 300.406 1.911 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000107370693 407373361 /nfs/dbraw/zinc/37/33/61/407373361.db2.gz RIIYCIOVBXCEPC-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000107370693 407373362 /nfs/dbraw/zinc/37/33/62/407373362.db2.gz RIIYCIOVBXCEPC-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)C(C)C ZINC000152067115 407555367 /nfs/dbraw/zinc/55/53/67/407555367.db2.gz XCXQAZIMYMCPNX-INIZCTEOSA-N 2 2 308.470 1.818 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000120298091 408124376 /nfs/dbraw/zinc/12/43/76/408124376.db2.gz UUCYVQAHTAFCLJ-MRXNPFEDSA-N 2 2 302.418 1.757 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365478 408300572 /nfs/dbraw/zinc/30/05/72/408300572.db2.gz AFZCMJZNCWIEPT-WMZOPIPTSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365478 408300577 /nfs/dbraw/zinc/30/05/77/408300577.db2.gz AFZCMJZNCWIEPT-WMZOPIPTSA-N 2 2 320.481 1.991 20 30 DDEDLP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161661579 408624879 /nfs/dbraw/zinc/62/48/79/408624879.db2.gz YVXOFIMUYOSUSA-HNNXBMFYSA-N 2 2 309.435 1.094 20 30 DDEDLP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161661579 408624886 /nfs/dbraw/zinc/62/48/86/408624886.db2.gz YVXOFIMUYOSUSA-HNNXBMFYSA-N 2 2 309.435 1.094 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000289507745 409280249 /nfs/dbraw/zinc/28/02/49/409280249.db2.gz FBDJTRFSLVLEET-SFHVURJKSA-N 2 2 309.417 1.845 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000328771264 409975378 /nfs/dbraw/zinc/97/53/78/409975378.db2.gz CWVSHKQUMPIBSR-RBSFLKMASA-N 2 2 317.437 1.647 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000328771264 409975382 /nfs/dbraw/zinc/97/53/82/409975382.db2.gz CWVSHKQUMPIBSR-RBSFLKMASA-N 2 2 317.437 1.647 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733211 410425803 /nfs/dbraw/zinc/42/58/03/410425803.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733211 410425808 /nfs/dbraw/zinc/42/58/08/410425808.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733211 410425810 /nfs/dbraw/zinc/42/58/10/410425810.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733211 410425815 /nfs/dbraw/zinc/42/58/15/410425815.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 2 303.410 1.350 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000341835721 411067664 /nfs/dbraw/zinc/06/76/64/411067664.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000341835721 411067666 /nfs/dbraw/zinc/06/76/66/411067666.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@@H](C)C[NH+]1CC#CC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000341835721 411067672 /nfs/dbraw/zinc/06/76/72/411067672.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@@H](C)C[NH+]1CC#CC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000341835721 411067675 /nfs/dbraw/zinc/06/76/75/411067675.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 2 308.466 1.988 20 30 DDEDLP Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c(C#N)c[nH+]1 ZINC000580770106 422952790 /nfs/dbraw/zinc/95/27/90/422952790.db2.gz OVCRQZSXBTYKKX-UHFFFAOYSA-N 2 2 315.421 1.088 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374255174 418510473 /nfs/dbraw/zinc/51/04/73/418510473.db2.gz IRUGSHSDSGPSTA-HUUCEWRRSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374255174 418510475 /nfs/dbraw/zinc/51/04/75/418510475.db2.gz IRUGSHSDSGPSTA-HUUCEWRRSA-N 2 2 306.454 1.208 20 30 DDEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367219759 418573632 /nfs/dbraw/zinc/57/36/32/418573632.db2.gz YIGNYKSLABUKCL-XYPWUTKMSA-N 2 2 318.465 1.886 20 30 DDEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367219759 418573635 /nfs/dbraw/zinc/57/36/35/418573635.db2.gz YIGNYKSLABUKCL-XYPWUTKMSA-N 2 2 318.465 1.886 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367219759 418573638 /nfs/dbraw/zinc/57/36/38/418573638.db2.gz YIGNYKSLABUKCL-XYPWUTKMSA-N 2 2 318.465 1.886 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367219759 418573639 /nfs/dbraw/zinc/57/36/39/418573639.db2.gz YIGNYKSLABUKCL-XYPWUTKMSA-N 2 2 318.465 1.886 20 30 DDEDLP C#C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000366999671 418549520 /nfs/dbraw/zinc/54/95/20/418549520.db2.gz XVHAZDQATVHYDW-QGZVFWFLSA-N 2 2 320.481 1.502 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000261885172 222260937 /nfs/dbraw/zinc/26/09/37/222260937.db2.gz RSEPSIASQVVHHL-TZMCWYRMSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000261885172 222260942 /nfs/dbraw/zinc/26/09/42/222260942.db2.gz RSEPSIASQVVHHL-TZMCWYRMSA-N 2 2 322.478 1.578 20 30 DDEDLP COc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1OC ZINC000262643488 222287823 /nfs/dbraw/zinc/28/78/23/222287823.db2.gz IIMDXEPITLWCNX-ZDUSSCGKSA-N 2 2 306.410 1.198 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377133144 418706274 /nfs/dbraw/zinc/70/62/74/418706274.db2.gz ZNGFSAKEUBTEAN-KRWDZBQOSA-N 2 2 306.454 1.601 20 30 DDEDLP N#CCC[C@H](C#N)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369241610 418730549 /nfs/dbraw/zinc/73/05/49/418730549.db2.gz GVUVEHDGSLQZPU-QGZVFWFLSA-N 2 2 304.438 1.864 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370130560 418741277 /nfs/dbraw/zinc/74/12/77/418741277.db2.gz HPYRHSYFQCHEPB-KRWDZBQOSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370130560 418741280 /nfs/dbraw/zinc/74/12/80/418741280.db2.gz HPYRHSYFQCHEPB-KRWDZBQOSA-N 2 2 321.465 1.396 20 30 DDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000371203779 418767660 /nfs/dbraw/zinc/76/76/60/418767660.db2.gz CXFBKOKVXNBWCL-MRXNPFEDSA-N 2 2 308.470 1.265 20 30 DDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000371203779 418767661 /nfs/dbraw/zinc/76/76/61/418767661.db2.gz CXFBKOKVXNBWCL-MRXNPFEDSA-N 2 2 308.470 1.265 20 30 DDEDLP C=CCOCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378374963 418722515 /nfs/dbraw/zinc/72/25/15/418722515.db2.gz ZCDSRTSFSJJTHS-INIZCTEOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCOCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378374963 418722516 /nfs/dbraw/zinc/72/25/16/418722516.db2.gz ZCDSRTSFSJJTHS-INIZCTEOSA-N 2 2 323.481 1.596 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424154858 228236594 /nfs/dbraw/zinc/23/65/94/228236594.db2.gz MGYFVTIPMRCFFR-AWEZNQCLSA-N 2 2 315.352 1.649 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000442714331 420703346 /nfs/dbraw/zinc/70/33/46/420703346.db2.gz JXOHAEHOZVYZHG-CVEARBPZSA-N 2 2 314.437 1.271 20 30 DDEDLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1C#N ZINC000442881663 420725807 /nfs/dbraw/zinc/72/58/07/420725807.db2.gz BAYZQWLPWNSYND-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1C#N ZINC000442881663 420725813 /nfs/dbraw/zinc/72/58/13/420725813.db2.gz BAYZQWLPWNSYND-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493196677 420783201 /nfs/dbraw/zinc/78/32/01/420783201.db2.gz XKKNYBYXTVFZQC-VOTSOKGWSA-N 2 2 323.400 1.885 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448976409 420927025 /nfs/dbraw/zinc/92/70/25/420927025.db2.gz MPKUVWSHMKDNEO-CVEARBPZSA-N 2 2 309.454 1.062 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448976409 420927027 /nfs/dbraw/zinc/92/70/27/420927027.db2.gz MPKUVWSHMKDNEO-CVEARBPZSA-N 2 2 309.454 1.062 20 30 DDEDLP Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000528189503 421474952 /nfs/dbraw/zinc/47/49/52/421474952.db2.gz DLIQUKMDSJHZEF-UHFFFAOYSA-N 2 2 300.406 1.953 20 30 DDEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565163651 421596565 /nfs/dbraw/zinc/59/65/65/421596565.db2.gz OWFUQRZGEAWOPS-UHFFFAOYSA-N 2 2 323.400 1.739 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000575039890 422241955 /nfs/dbraw/zinc/24/19/55/422241955.db2.gz FMKUZIGFVPCKMM-FRFSOERESA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000575039890 422241960 /nfs/dbraw/zinc/24/19/60/422241960.db2.gz FMKUZIGFVPCKMM-FRFSOERESA-N 2 2 315.417 1.513 20 30 DDEDLP C=CCCOCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193804 422320994 /nfs/dbraw/zinc/32/09/94/422320994.db2.gz BTBBJUFLRXEOQX-UHFFFAOYSA-N 2 2 304.394 1.365 20 30 DDEDLP CC#CC[NH2+]Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641164686 423438920 /nfs/dbraw/zinc/43/89/20/423438920.db2.gz QRJCXKVCNFCGGA-UHFFFAOYSA-N 2 2 320.400 1.933 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588608 267182529 /nfs/dbraw/zinc/18/25/29/267182529.db2.gz LYKNOLXAHMVRGM-BLLLJJGKSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588608 267182532 /nfs/dbraw/zinc/18/25/32/267182532.db2.gz LYKNOLXAHMVRGM-BLLLJJGKSA-N 2 2 318.396 1.688 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000491361044 275382493 /nfs/dbraw/zinc/38/24/93/275382493.db2.gz IPPKGSKDVPUHLZ-UHFFFAOYSA-N 2 2 317.408 1.428 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)C[NH+]2CCC(C)CC2)c1C#N ZINC000089674268 281022076 /nfs/dbraw/zinc/02/20/76/281022076.db2.gz IYUKAULIGQBBKB-UHFFFAOYSA-N 2 2 318.425 1.104 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1F ZINC000361689607 307002956 /nfs/dbraw/zinc/00/29/56/307002956.db2.gz OKRWACSWHFYUDS-UHFFFAOYSA-N 2 2 316.424 1.911 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000517988890 331983661 /nfs/dbraw/zinc/98/36/61/331983661.db2.gz ZQLLHDHZZMLTDE-UHFFFAOYSA-N 2 2 312.417 1.952 20 30 DDEDLP C=CCOc1ccccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347183348 526930121 /nfs/dbraw/zinc/93/01/21/526930121.db2.gz WOBMGELPFLZLHJ-UHFFFAOYSA-N 2 2 303.406 1.115 20 30 DDEDLP C=CCOc1ccccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347183348 526930126 /nfs/dbraw/zinc/93/01/26/526930126.db2.gz WOBMGELPFLZLHJ-UHFFFAOYSA-N 2 2 303.406 1.115 20 30 DDEDLP C#CCNC(=O)CC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491759664 526984317 /nfs/dbraw/zinc/98/43/17/526984317.db2.gz NVNIULJQGRUVTR-UHFFFAOYSA-N 2 2 316.792 1.755 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000433466577 528992117 /nfs/dbraw/zinc/99/21/17/528992117.db2.gz NFFMSNSRCKHYEU-KRWDZBQOSA-N 2 2 317.481 1.920 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274201 696725027 /nfs/dbraw/zinc/72/50/27/696725027.db2.gz MZADIVZKRXCSHS-JYJNAYRXSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274201 696725030 /nfs/dbraw/zinc/72/50/30/696725030.db2.gz MZADIVZKRXCSHS-JYJNAYRXSA-N 2 2 300.406 1.123 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450356 695254294 /nfs/dbraw/zinc/25/42/94/695254294.db2.gz SSDBANMGDJFEFB-KRWDZBQOSA-N 2 2 319.449 1.104 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450356 695254295 /nfs/dbraw/zinc/25/42/95/695254295.db2.gz SSDBANMGDJFEFB-KRWDZBQOSA-N 2 2 319.449 1.104 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751247 695726059 /nfs/dbraw/zinc/72/60/59/695726059.db2.gz KKIXYMUXKDVWTO-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751247 695726061 /nfs/dbraw/zinc/72/60/61/695726061.db2.gz KKIXYMUXKDVWTO-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753797 695727251 /nfs/dbraw/zinc/72/72/51/695727251.db2.gz QXWBVQUKKRCKKA-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753797 695727254 /nfs/dbraw/zinc/72/72/54/695727254.db2.gz QXWBVQUKKRCKKA-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101640 695794867 /nfs/dbraw/zinc/79/48/67/695794867.db2.gz MSZVGAUHEUJYSM-AWEZNQCLSA-N 2 2 302.422 1.466 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101640 695794870 /nfs/dbraw/zinc/79/48/70/695794870.db2.gz MSZVGAUHEUJYSM-AWEZNQCLSA-N 2 2 302.422 1.466 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853724 696943276 /nfs/dbraw/zinc/94/32/76/696943276.db2.gz UMZVNUQBQORLQW-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853724 696943279 /nfs/dbraw/zinc/94/32/79/696943279.db2.gz UMZVNUQBQORLQW-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762162 697176939 /nfs/dbraw/zinc/17/69/39/697176939.db2.gz ANDYYQGTXMGKTG-CALCHBBNSA-N 2 2 302.422 1.617 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC000982762162 697176941 /nfs/dbraw/zinc/17/69/41/697176941.db2.gz ANDYYQGTXMGKTG-CALCHBBNSA-N 2 2 302.422 1.617 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989224984 698560925 /nfs/dbraw/zinc/56/09/25/698560925.db2.gz YLRVQRMFHCWEAY-STQMWFEESA-N 2 2 310.829 1.684 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000730097450 699500618 /nfs/dbraw/zinc/50/06/18/699500618.db2.gz YMWFXGOBNMCDSU-GJZGRUSLSA-N 2 2 305.447 1.565 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000730097450 699500619 /nfs/dbraw/zinc/50/06/19/699500619.db2.gz YMWFXGOBNMCDSU-GJZGRUSLSA-N 2 2 305.447 1.565 20 30 DDEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000753952408 700471155 /nfs/dbraw/zinc/47/11/55/700471155.db2.gz HQWVZEIMKDHKFY-LSDHHAIUSA-N 2 2 312.479 1.701 20 30 DDEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000753952408 700471157 /nfs/dbraw/zinc/47/11/57/700471157.db2.gz HQWVZEIMKDHKFY-LSDHHAIUSA-N 2 2 312.479 1.701 20 30 DDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCO1 ZINC000812756901 702234750 /nfs/dbraw/zinc/23/47/50/702234750.db2.gz CDASSGBIERHDKC-CVEARBPZSA-N 2 2 308.422 1.174 20 30 DDEDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866264340 706661231 /nfs/dbraw/zinc/66/12/31/706661231.db2.gz YJQLIPMLCDQBLJ-UONOGXRCSA-N 2 2 302.422 1.550 20 30 DDEDLP CC(C)(O)C[NH+]1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000814225752 702498419 /nfs/dbraw/zinc/49/84/19/702498419.db2.gz WFKAMUVOUFCJAU-UHFFFAOYSA-N 2 2 315.215 1.716 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852854238 704148947 /nfs/dbraw/zinc/14/89/47/704148947.db2.gz AINWDNCPRUWHRC-UHFFFAOYSA-N 2 2 311.429 1.334 20 30 DDEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823883366 705334328 /nfs/dbraw/zinc/33/43/28/705334328.db2.gz PHVWHQUZKROLOV-CYBMUJFWSA-N 2 2 312.421 1.995 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862860434 705812987 /nfs/dbraw/zinc/81/29/87/705812987.db2.gz BIWRVTIKYMOLQV-UHFFFAOYSA-N 2 2 305.426 1.554 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000877642128 706167079 /nfs/dbraw/zinc/16/70/79/706167079.db2.gz PIDXNZNTHZUBAW-UHFFFAOYSA-N 2 2 324.432 1.680 20 30 DDEDLP C#CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000914198112 713357673 /nfs/dbraw/zinc/35/76/73/713357673.db2.gz SQDAXTBVNWXYHA-AWEZNQCLSA-N 2 2 303.410 1.011 20 30 DDEDLP C#CC[N@H+](CCOC1CC1)C1CC[NH+](CCOC2CC2)CC1 ZINC000931592624 714134237 /nfs/dbraw/zinc/13/42/37/714134237.db2.gz VJGLRDKEDRMZBZ-UHFFFAOYSA-N 2 2 306.450 1.744 20 30 DDEDLP C#CC[N@@H+](CCOC1CC1)C1CC[NH+](CCOC2CC2)CC1 ZINC000931592624 714134238 /nfs/dbraw/zinc/13/42/38/714134238.db2.gz VJGLRDKEDRMZBZ-UHFFFAOYSA-N 2 2 306.450 1.744 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380926 714335175 /nfs/dbraw/zinc/33/51/75/714335175.db2.gz KLUYRLGIMQBZHV-HNNXBMFYSA-N 2 2 301.390 1.126 20 30 DDEDLP C=CC[C@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000934469539 714828186 /nfs/dbraw/zinc/82/81/86/714828186.db2.gz DXMPJJQCHOGVPD-SFHVURJKSA-N 2 2 313.445 1.981 20 30 DDEDLP C=CC[C@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000934469539 714828187 /nfs/dbraw/zinc/82/81/87/714828187.db2.gz DXMPJJQCHOGVPD-SFHVURJKSA-N 2 2 313.445 1.981 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212122 716863559 /nfs/dbraw/zinc/86/35/59/716863559.db2.gz DHYNJRONLCBLDK-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212122 716863562 /nfs/dbraw/zinc/86/35/62/716863562.db2.gz DHYNJRONLCBLDK-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962195563 717346260 /nfs/dbraw/zinc/34/62/60/717346260.db2.gz BXHLXBBHYHNEDF-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962195563 717346264 /nfs/dbraw/zinc/34/62/64/717346264.db2.gz BXHLXBBHYHNEDF-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486608 717697337 /nfs/dbraw/zinc/69/73/37/717697337.db2.gz NLTDGQSEIVBEER-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486608 717697340 /nfs/dbraw/zinc/69/73/40/717697340.db2.gz NLTDGQSEIVBEER-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000963581219 717836553 /nfs/dbraw/zinc/83/65/53/717836553.db2.gz IJPVPOCJFLVJPB-QQFBHYJXSA-N 2 2 314.433 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265861 718803544 /nfs/dbraw/zinc/80/35/44/718803544.db2.gz XOXBQVGLZSKMCO-PBHICJAKSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967265861 718803549 /nfs/dbraw/zinc/80/35/49/718803549.db2.gz XOXBQVGLZSKMCO-PBHICJAKSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693952 718881211 /nfs/dbraw/zinc/88/12/11/718881211.db2.gz HKGXCWVCFVRCDB-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693952 718881215 /nfs/dbraw/zinc/88/12/15/718881215.db2.gz HKGXCWVCFVRCDB-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566539 719552447 /nfs/dbraw/zinc/55/24/47/719552447.db2.gz OWWRDLKYFAENEO-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948566539 719552449 /nfs/dbraw/zinc/55/24/49/719552449.db2.gz OWWRDLKYFAENEO-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCOC ZINC000968893960 719848667 /nfs/dbraw/zinc/84/86/67/719848667.db2.gz VZMGXWPVLXVPQW-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCOC ZINC000968893960 719848671 /nfs/dbraw/zinc/84/86/71/719848671.db2.gz VZMGXWPVLXVPQW-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCOC ZINC000968893960 719848680 /nfs/dbraw/zinc/84/86/80/719848680.db2.gz VZMGXWPVLXVPQW-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 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735406004 /nfs/dbraw/zinc/40/60/04/735406004.db2.gz RBAJIFOJBUMGFZ-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001020818912 732693278 /nfs/dbraw/zinc/69/32/78/732693278.db2.gz JEMAAVUYCPWWMN-XYPYZODXSA-N 2 2 315.402 1.322 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202567 733337559 /nfs/dbraw/zinc/33/75/59/733337559.db2.gz MUJFZLWYSWFROM-ZIAGYGMSSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021715691 733478213 /nfs/dbraw/zinc/47/82/13/733478213.db2.gz IEEIELFTQZZRAM-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021715691 733478216 /nfs/dbraw/zinc/47/82/16/733478216.db2.gz IEEIELFTQZZRAM-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021755236 733517223 /nfs/dbraw/zinc/51/72/23/733517223.db2.gz UWBSELXCVAIBJS-HZPDHXFCSA-N 2 2 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C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033897799 750084365 /nfs/dbraw/zinc/08/43/65/750084365.db2.gz QTDUDCHALDVHGT-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645687 750108736 /nfs/dbraw/zinc/10/87/36/750108736.db2.gz CRPPAJYKOCMDBP-XRGAULLZSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645687 750108743 /nfs/dbraw/zinc/10/87/43/750108743.db2.gz CRPPAJYKOCMDBP-XRGAULLZSA-N 2 2 300.406 1.353 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561678 750139419 /nfs/dbraw/zinc/13/94/19/750139419.db2.gz PATSCAFKGTXTCW-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561678 750139424 /nfs/dbraw/zinc/13/94/24/750139424.db2.gz PATSCAFKGTXTCW-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609099 750233962 /nfs/dbraw/zinc/23/39/62/750233962.db2.gz CMYSFWBEMDFCAQ-NVXWUHKLSA-N 2 2 302.422 1.509 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609099 750233965 /nfs/dbraw/zinc/23/39/65/750233965.db2.gz CMYSFWBEMDFCAQ-NVXWUHKLSA-N 2 2 302.422 1.509 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144123 750388679 /nfs/dbraw/zinc/38/86/79/750388679.db2.gz PSDQUTSXYKUSHF-OAGGEKHMSA-N 2 2 300.406 1.326 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144123 750388690 /nfs/dbraw/zinc/38/86/90/750388690.db2.gz PSDQUTSXYKUSHF-OAGGEKHMSA-N 2 2 300.406 1.326 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911552 750958386 /nfs/dbraw/zinc/95/83/86/750958386.db2.gz NJNCJPPIMDVIHZ-YVSFHVDLSA-N 2 2 312.417 1.075 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911552 750958389 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DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761141 754381484 /nfs/dbraw/zinc/38/14/84/754381484.db2.gz GSFBRXHFTUCLIT-RYUDHWBXSA-N 2 2 308.813 1.722 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081187522 756240572 /nfs/dbraw/zinc/24/05/72/756240572.db2.gz KEOVXJBFGZQJLV-DLBZAZTESA-N 2 2 308.385 1.170 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016836701 757393988 /nfs/dbraw/zinc/39/39/88/757393988.db2.gz NOIRKJBDGXEEDV-IIAWOOMASA-N 2 2 312.417 1.128 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550307 758017857 /nfs/dbraw/zinc/01/78/57/758017857.db2.gz XHLLPESCIADOFT-LUKYLMHMSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550307 758017866 /nfs/dbraw/zinc/01/78/66/758017866.db2.gz XHLLPESCIADOFT-LUKYLMHMSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550307 758017871 /nfs/dbraw/zinc/01/78/71/758017871.db2.gz XHLLPESCIADOFT-LUKYLMHMSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550307 758017877 /nfs/dbraw/zinc/01/78/77/758017877.db2.gz XHLLPESCIADOFT-LUKYLMHMSA-N 2 2 301.434 1.169 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017697008 758160927 /nfs/dbraw/zinc/16/09/27/758160927.db2.gz XIFOFLXTRNTDST-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017697008 758160929 /nfs/dbraw/zinc/16/09/29/758160929.db2.gz XIFOFLXTRNTDST-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017697008 758160932 /nfs/dbraw/zinc/16/09/32/758160932.db2.gz XIFOFLXTRNTDST-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017697008 758160936 /nfs/dbraw/zinc/16/09/36/758160936.db2.gz XIFOFLXTRNTDST-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159312 758316020 /nfs/dbraw/zinc/31/60/20/758316020.db2.gz PCRFULOKKNJUOO-MCIONIFRSA-N 2 2 315.845 1.087 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159312 758316030 /nfs/dbraw/zinc/31/60/30/758316030.db2.gz PCRFULOKKNJUOO-MCIONIFRSA-N 2 2 315.845 1.087 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142772 759218251 /nfs/dbraw/zinc/21/82/51/759218251.db2.gz IQRKXFZOTVNDRZ-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142772 759218260 /nfs/dbraw/zinc/21/82/60/759218260.db2.gz IQRKXFZOTVNDRZ-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142772 759218268 /nfs/dbraw/zinc/21/82/68/759218268.db2.gz IQRKXFZOTVNDRZ-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142772 759218276 /nfs/dbraw/zinc/21/82/76/759218276.db2.gz IQRKXFZOTVNDRZ-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730494 767862355 /nfs/dbraw/zinc/86/23/55/767862355.db2.gz DUVWUGBCZNFFHQ-GOSISDBHSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730494 767862362 /nfs/dbraw/zinc/86/23/62/767862362.db2.gz DUVWUGBCZNFFHQ-GOSISDBHSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237503 761875034 /nfs/dbraw/zinc/87/50/34/761875034.db2.gz ITSYPEXGEPGNIO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237503 761875043 /nfs/dbraw/zinc/87/50/43/761875043.db2.gz ITSYPEXGEPGNIO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242099 762904956 /nfs/dbraw/zinc/90/49/56/762904956.db2.gz RAJLZEPAHQGDPK-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041242099 762904959 /nfs/dbraw/zinc/90/49/59/762904959.db2.gz RAJLZEPAHQGDPK-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835482 762974846 /nfs/dbraw/zinc/97/48/46/762974846.db2.gz RVTOQLFAKJYKGP-XHSDSOJGSA-N 2 2 302.422 1.818 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108835880 762990759 /nfs/dbraw/zinc/99/07/59/762990759.db2.gz FKXMEFAEDJUTHO-XHSDSOJGSA-N 2 2 300.406 1.266 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733366 763269262 /nfs/dbraw/zinc/26/92/62/763269262.db2.gz UOEXBZGMCLVTFM-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733366 763269270 /nfs/dbraw/zinc/26/92/70/763269270.db2.gz UOEXBZGMCLVTFM-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733366 763269275 /nfs/dbraw/zinc/26/92/75/763269275.db2.gz UOEXBZGMCLVTFM-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733366 763269281 /nfs/dbraw/zinc/26/92/81/763269281.db2.gz UOEXBZGMCLVTFM-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788165 763331913 /nfs/dbraw/zinc/33/19/13/763331913.db2.gz YACXCPJDNRJRSD-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788165 763331923 /nfs/dbraw/zinc/33/19/23/763331923.db2.gz YACXCPJDNRJRSD-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042177173 763741541 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839188753 /nfs/dbraw/zinc/18/87/53/839188753.db2.gz NADISFRBOFSQDY-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270084107 842280394 /nfs/dbraw/zinc/28/03/94/842280394.db2.gz VPKCTYNVWLSMRD-GOEBONIOSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1nc(Cl)c(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1C#N ZINC001155057952 861690392 /nfs/dbraw/zinc/69/03/92/861690392.db2.gz PKSXTNUYQNWADL-UHFFFAOYSA-N 2 2 313.752 1.526 20 30 DDEDLP C=C(C)CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039800 847825751 /nfs/dbraw/zinc/82/57/51/847825751.db2.gz WABIGIREWYWVDX-UHFFFAOYSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001273075919 847872365 /nfs/dbraw/zinc/87/23/65/847872365.db2.gz NAWAWNFPZTUCTA-CQSZACIVSA-N 2 2 300.406 1.856 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249651 848156512 /nfs/dbraw/zinc/15/65/12/848156512.db2.gz MMZZSJGEOHBVJM-HUUCEWRRSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249651 848156516 /nfs/dbraw/zinc/15/65/16/848156516.db2.gz MMZZSJGEOHBVJM-HUUCEWRRSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001275684957 853567624 /nfs/dbraw/zinc/56/76/24/853567624.db2.gz MKVYKQHAYWVMDK-UHFFFAOYSA-N 2 2 303.406 1.340 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824580 862482425 /nfs/dbraw/zinc/48/24/25/862482425.db2.gz MXJJJFCQOKOJSP-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824580 862482432 /nfs/dbraw/zinc/48/24/32/862482432.db2.gz MXJJJFCQOKOJSP-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cnc[nH]2)CC3)cc1C#N ZINC001276204230 854958283 /nfs/dbraw/zinc/95/82/83/854958283.db2.gz ROCYOLZKGCBLFC-UHFFFAOYSA-N 2 2 324.432 1.718 20 30 DDEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151339498 862736753 /nfs/dbraw/zinc/73/67/53/862736753.db2.gz CONSMNUPADUFSH-UHFFFAOYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C[C@@H](O)C[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001253599926 856148345 /nfs/dbraw/zinc/14/83/45/856148345.db2.gz BHBPIHKGLHIVGV-GFCCVEGCSA-N 2 2 301.481 1.574 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C=C/Cl)C2 ZINC001072822650 857758689 /nfs/dbraw/zinc/75/86/89/857758689.db2.gz REONNUWOYYOHGZ-SZTZYQKNSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C/C=C/Cl)C2 ZINC001072822650 857758699 /nfs/dbraw/zinc/75/86/99/857758699.db2.gz REONNUWOYYOHGZ-SZTZYQKNSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C/C=C/Cl)C2 ZINC001072822650 857758705 /nfs/dbraw/zinc/75/87/05/857758705.db2.gz REONNUWOYYOHGZ-SZTZYQKNSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C/C=C/Cl)C2 ZINC001072822650 857758709 /nfs/dbraw/zinc/75/87/09/857758709.db2.gz REONNUWOYYOHGZ-SZTZYQKNSA-N 2 2 321.852 1.371 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860788 857813766 /nfs/dbraw/zinc/81/37/66/857813766.db2.gz HLKFBQJMOFNICB-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860788 857813773 /nfs/dbraw/zinc/81/37/73/857813773.db2.gz HLKFBQJMOFNICB-CQSZACIVSA-N 2 2 300.406 1.166 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864716 857817504 /nfs/dbraw/zinc/81/75/04/857817504.db2.gz OQXVYMQACXPLIM-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864716 857817506 /nfs/dbraw/zinc/81/75/06/857817506.db2.gz OQXVYMQACXPLIM-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884007 857841550 /nfs/dbraw/zinc/84/15/50/857841550.db2.gz HXNXCRVJJSCQGS-UHFFFAOYSA-N 2 2 318.421 1.460 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884007 857841553 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DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001141166183 860800408 /nfs/dbraw/zinc/80/04/08/860800408.db2.gz YKBAKSQWYLHMOT-ZWKOTPCHSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001141166183 860800411 /nfs/dbraw/zinc/80/04/11/860800411.db2.gz YKBAKSQWYLHMOT-ZWKOTPCHSA-N 2 2 316.424 1.908 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154065751 864376144 /nfs/dbraw/zinc/37/61/44/864376144.db2.gz CGCCZZVLDHVALO-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154065751 864376162 /nfs/dbraw/zinc/37/61/62/864376162.db2.gz CGCCZZVLDHVALO-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(/C=N/O)c1 ZINC001158263136 864526352 /nfs/dbraw/zinc/52/63/52/864526352.db2.gz ZLMQRGYZBUHLRQ-LEBHLANCSA-N 2 2 303.410 1.200 20 30 DDEDLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(/C=N/O)c1 ZINC001158263136 864526354 /nfs/dbraw/zinc/52/63/54/864526354.db2.gz ZLMQRGYZBUHLRQ-LEBHLANCSA-N 2 2 303.410 1.200 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529327 865914561 /nfs/dbraw/zinc/91/45/61/865914561.db2.gz GZLSOGLZPFTCPY-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529327 865914574 /nfs/dbraw/zinc/91/45/74/865914574.db2.gz GZLSOGLZPFTCPY-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C#CCC[NH+]1CCC(C)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001324876590 867596398 /nfs/dbraw/zinc/59/63/98/867596398.db2.gz ONBFOHOMRMEWAF-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001321552662 867663251 /nfs/dbraw/zinc/66/32/51/867663251.db2.gz SSUBOWSWFJXBHI-HZPDHXFCSA-N 2 2 320.437 1.214 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC001336798207 869148854 /nfs/dbraw/zinc/14/88/54/869148854.db2.gz WIVGBJCNSDSWGU-HNNXBMFYSA-N 2 2 322.836 1.767 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042667 870154052 /nfs/dbraw/zinc/15/40/52/870154052.db2.gz GSFLYAPUMFZZHT-OAHLLOKOSA-N 2 2 302.422 1.156 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042667 870154057 /nfs/dbraw/zinc/15/40/57/870154057.db2.gz GSFLYAPUMFZZHT-OAHLLOKOSA-N 2 2 302.422 1.156 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327526 870650340 /nfs/dbraw/zinc/65/03/40/870650340.db2.gz VMPOPNMCKYYFEI-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203604410 870666957 /nfs/dbraw/zinc/66/69/57/870666957.db2.gz DHAHNIACUKRWNI-JKSUJKDBSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531998 871005732 /nfs/dbraw/zinc/00/57/32/871005732.db2.gz GZEJABNSYUXMCP-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531998 871005753 /nfs/dbraw/zinc/00/57/53/871005753.db2.gz GZEJABNSYUXMCP-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317598459 871172707 /nfs/dbraw/zinc/17/27/07/871172707.db2.gz SNBICFRDCQSXRW-HZPDHXFCSA-N 2 2 323.400 1.633 20 30 DDEDLP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317598459 871172721 /nfs/dbraw/zinc/17/27/21/871172721.db2.gz SNBICFRDCQSXRW-HZPDHXFCSA-N 2 2 323.400 1.633 20 30 DDEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC001346571220 873809561 /nfs/dbraw/zinc/80/95/61/873809561.db2.gz ZCLRXLVYYGSCAN-MRXNPFEDSA-N 2 2 318.396 1.222 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567638 874978043 /nfs/dbraw/zinc/97/80/43/874978043.db2.gz GVSXLTOZSHCWJG-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1CC ZINC001276771467 877402052 /nfs/dbraw/zinc/40/20/52/877402052.db2.gz HLRBUVGBSQLVMG-IRXDYDNUSA-N 2 2 316.449 1.903 20 30 DDEDLP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219310984 878109470 /nfs/dbraw/zinc/10/94/70/878109470.db2.gz QQKYLYGHQPSCKC-ZFWWWQNUSA-N 2 2 301.466 1.543 20 30 DDEDLP [NH3+]CC[C@H]([NH3+])C(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001220179577 878787530 /nfs/dbraw/zinc/78/75/30/878787530.db2.gz NZOBNTZVDHKFSL-HNNXBMFYSA-N 2 2 321.380 1.544 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840517 880708974 /nfs/dbraw/zinc/70/89/74/880708974.db2.gz PWZKOKBMIFSTDG-UHFFFAOYSA-N 2 2 301.438 1.346 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840517 880708977 /nfs/dbraw/zinc/70/89/77/880708977.db2.gz PWZKOKBMIFSTDG-UHFFFAOYSA-N 2 2 301.438 1.346 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001277702394 886543727 /nfs/dbraw/zinc/54/37/27/886543727.db2.gz KLEBDXSRZBDNQY-HOCLYGCPSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246010644 892328526 /nfs/dbraw/zinc/32/85/26/892328526.db2.gz YCNJREFNWJFDLE-CABCVRRESA-N 2 2 300.443 1.744 20 30 DDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246533896 892683955 /nfs/dbraw/zinc/68/39/55/892683955.db2.gz OXLNUDQSWDZDGA-HUUCEWRRSA-N 2 2 307.438 1.847 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001278485752 893189085 /nfs/dbraw/zinc/18/90/85/893189085.db2.gz CBTMGWGDBCNZTK-GVDBMIGSSA-N 2 2 314.433 1.513 20 30 DDEDLP C=C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001253597606 895921835 /nfs/dbraw/zinc/92/18/35/895921835.db2.gz GJLNMSVNNWDCAG-QGZVFWFLSA-N 2 2 319.449 1.344 20 30 DDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137249 896750843 /nfs/dbraw/zinc/75/08/43/896750843.db2.gz QAXAGXOIGDNBBB-YDZRNGNQSA-N 2 2 310.445 1.979 20 30 DDEDLP N#C[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137249 896750852 /nfs/dbraw/zinc/75/08/52/896750852.db2.gz QAXAGXOIGDNBBB-YDZRNGNQSA-N 2 2 310.445 1.979 20 30 DDEDLP C=CC[NH+]1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256590071 897496125 /nfs/dbraw/zinc/49/61/25/897496125.db2.gz CCUQWXHTZSGWCY-UHFFFAOYSA-N 2 2 300.450 1.850 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001262558570 900243525 /nfs/dbraw/zinc/24/35/25/900243525.db2.gz JNJSPBBKTPABHI-INIZCTEOSA-N 2 2 310.401 1.433 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001263836912 900752356 /nfs/dbraw/zinc/75/23/56/900752356.db2.gz PADUYFAOGAFKJZ-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001263920926 900818088 /nfs/dbraw/zinc/81/80/88/900818088.db2.gz ADLUYDKQOHCJAL-HRCADAONSA-N 2 2 302.422 1.732 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1CC ZINC001264614034 901216596 /nfs/dbraw/zinc/21/65/96/901216596.db2.gz HZDCZLQLPZGGKF-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1CC ZINC001264614034 901216612 /nfs/dbraw/zinc/21/66/12/901216612.db2.gz HZDCZLQLPZGGKF-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001369555046 901525802 /nfs/dbraw/zinc/52/58/02/901525802.db2.gz ZOQJRCHHPQNJLS-QWHCGFSZSA-N 2 2 317.861 1.190 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001369555046 901525814 /nfs/dbraw/zinc/52/58/14/901525814.db2.gz ZOQJRCHHPQNJLS-QWHCGFSZSA-N 2 2 317.861 1.190 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266102278 902945138 /nfs/dbraw/zinc/94/51/38/902945138.db2.gz GOJJSCZRAGCYER-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266102278 902945144 /nfs/dbraw/zinc/94/51/44/902945144.db2.gz GOJJSCZRAGCYER-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266223327 903141666 /nfs/dbraw/zinc/14/16/66/903141666.db2.gz OBBFGKZQPHKRRQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266223327 903141671 /nfs/dbraw/zinc/14/16/71/903141671.db2.gz OBBFGKZQPHKRRQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001392195076 903497971 /nfs/dbraw/zinc/49/79/71/903497971.db2.gz KVIOOZGMGGMPBY-FZMZJTMJSA-N 2 2 310.829 1.921 20 30 DDEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001280367728 903613898 /nfs/dbraw/zinc/61/38/98/903613898.db2.gz PKQSYMFNOIGITP-JYJNAYRXSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001280409078 903645401 /nfs/dbraw/zinc/64/54/01/903645401.db2.gz PCBRQTULGVYDGR-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001280409078 903645412 /nfs/dbraw/zinc/64/54/12/903645412.db2.gz PCBRQTULGVYDGR-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001392627165 904650612 /nfs/dbraw/zinc/65/06/12/904650612.db2.gz FQICRWSIDREIRW-LBPRGKRZSA-N 2 2 315.352 1.188 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001281943337 905342709 /nfs/dbraw/zinc/34/27/09/905342709.db2.gz YZKRROVOXJBRTC-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001281943337 905342725 /nfs/dbraw/zinc/34/27/25/905342725.db2.gz YZKRROVOXJBRTC-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282158058 905586163 /nfs/dbraw/zinc/58/61/63/905586163.db2.gz WKDOVDAWVJFBQX-KBPBESRZSA-N 2 2 314.389 1.081 20 30 DDEDLP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001372186896 906674207 /nfs/dbraw/zinc/67/42/07/906674207.db2.gz BSQBPOOOUGHDAB-QGZVFWFLSA-N 2 2 316.449 1.692 20 30 DDEDLP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001372186896 906674211 /nfs/dbraw/zinc/67/42/11/906674211.db2.gz BSQBPOOOUGHDAB-QGZVFWFLSA-N 2 2 316.449 1.692 20 30 DDEDLP C#CCC[NH+]1CCC(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001284842199 909558767 /nfs/dbraw/zinc/55/87/67/909558767.db2.gz LLUXIPDVZVWGBH-UHFFFAOYSA-N 2 2 314.433 1.657 20 30 DDEDLP C[C@H](CNC(=O)Cc1cn2ccccc2[nH+]1)N1CC[NH+](C)CC1 ZINC000328745284 539298665 /nfs/dbraw/zinc/29/86/65/539298665.db2.gz ABJUWNLUOQILJB-CQSZACIVSA-N 2 2 315.421 1.469 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[N@H+](C)C1 ZINC000328898009 539299413 /nfs/dbraw/zinc/29/94/13/539299413.db2.gz DANGXXHNCVKFES-KKUMJFAQSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[N@@H+](C)C1 ZINC000328898009 539299414 /nfs/dbraw/zinc/29/94/14/539299414.db2.gz DANGXXHNCVKFES-KKUMJFAQSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[NH+](C)C1 ZINC000328898009 539299416 /nfs/dbraw/zinc/29/94/16/539299416.db2.gz DANGXXHNCVKFES-KKUMJFAQSA-N 2 2 313.442 1.019 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)[NH+](C)C1 ZINC000328898009 539299417 /nfs/dbraw/zinc/29/94/17/539299417.db2.gz DANGXXHNCVKFES-KKUMJFAQSA-N 2 2 313.442 1.019 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000081646809 353686407 /nfs/dbraw/zinc/68/64/07/353686407.db2.gz RUMRFLYYUAARSY-HNNXBMFYSA-N 2 2 317.408 1.596 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000081646809 353686409 /nfs/dbraw/zinc/68/64/09/353686409.db2.gz RUMRFLYYUAARSY-HNNXBMFYSA-N 2 2 317.408 1.596 20 30 DDEDLP Cc1[nH+]c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2n1C ZINC000526996157 354689585 /nfs/dbraw/zinc/68/95/85/354689585.db2.gz AYJBUFGFMWFFCO-UHFFFAOYSA-N 2 2 311.389 1.600 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000594445394 356219547 /nfs/dbraw/zinc/21/95/47/356219547.db2.gz FBPCXIHDZWFTIU-OAHLLOKOSA-N 2 2 320.462 1.804 20 30 DDEDLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000610541507 360464303 /nfs/dbraw/zinc/46/43/03/360464303.db2.gz NEZWHQSGHDVXIY-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000610541507 360464306 /nfs/dbraw/zinc/46/43/06/360464306.db2.gz NEZWHQSGHDVXIY-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP CN(C(=O)NCC1(C#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619534505 364051967 /nfs/dbraw/zinc/05/19/67/364051967.db2.gz WXMBRRHUYKESKD-HNNXBMFYSA-N 2 2 319.453 1.100 20 30 DDEDLP CN(C(=O)NCC1(C#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619534505 364051971 /nfs/dbraw/zinc/05/19/71/364051971.db2.gz WXMBRRHUYKESKD-HNNXBMFYSA-N 2 2 319.453 1.100 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946361 407546909 /nfs/dbraw/zinc/54/69/09/407546909.db2.gz QHGIAWUJADJBHO-SJPCQFCGSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185946361 407546914 /nfs/dbraw/zinc/54/69/14/407546914.db2.gz QHGIAWUJADJBHO-SJPCQFCGSA-N 2 2 317.477 1.805 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915454 407947740 /nfs/dbraw/zinc/94/77/40/407947740.db2.gz UQUSQSGPKKHABY-NVXWUHKLSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915454 407947743 /nfs/dbraw/zinc/94/77/43/407947743.db2.gz UQUSQSGPKKHABY-NVXWUHKLSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134915454 407947747 /nfs/dbraw/zinc/94/77/47/407947747.db2.gz UQUSQSGPKKHABY-NVXWUHKLSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134915454 407947749 /nfs/dbraw/zinc/94/77/49/407947749.db2.gz UQUSQSGPKKHABY-NVXWUHKLSA-N 2 2 318.465 1.697 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000121287583 408178180 /nfs/dbraw/zinc/17/81/80/408178180.db2.gz CTQWUPREGOEAJH-UHFFFAOYSA-N 2 2 317.433 1.253 20 30 DDEDLP C=CC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000121287583 408178187 /nfs/dbraw/zinc/17/81/87/408178187.db2.gz CTQWUPREGOEAJH-UHFFFAOYSA-N 2 2 317.433 1.253 20 30 DDEDLP C#CCSCCNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160062666 408450979 /nfs/dbraw/zinc/45/09/79/408450979.db2.gz QOTYEVJWHDWCPT-GJZGRUSLSA-N 2 2 319.478 1.708 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191316192 408404587 /nfs/dbraw/zinc/40/45/87/408404587.db2.gz DPDIVKHRINFUNC-HNNXBMFYSA-N 2 2 302.422 1.441 20 30 DDEDLP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191316192 408404592 /nfs/dbraw/zinc/40/45/92/408404592.db2.gz DPDIVKHRINFUNC-HNNXBMFYSA-N 2 2 302.422 1.441 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177749058 408701155 /nfs/dbraw/zinc/70/11/55/408701155.db2.gz BRLONMMDVAGYAP-MRXNPFEDSA-N 2 2 300.406 1.219 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292189305 408998327 /nfs/dbraw/zinc/99/83/27/408998327.db2.gz RFFSNCMEDOLGMA-GOSISDBHSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292189305 408998330 /nfs/dbraw/zinc/99/83/30/408998330.db2.gz RFFSNCMEDOLGMA-GOSISDBHSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292189305 408998333 /nfs/dbraw/zinc/99/83/33/408998333.db2.gz RFFSNCMEDOLGMA-GOSISDBHSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292189305 408998335 /nfs/dbraw/zinc/99/83/35/408998335.db2.gz RFFSNCMEDOLGMA-GOSISDBHSA-N 2 2 315.417 1.973 20 30 DDEDLP C#Cc1ccccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000290529492 409434788 /nfs/dbraw/zinc/43/47/88/409434788.db2.gz YQQBAJSNUUIAGR-UHFFFAOYSA-N 2 2 313.445 1.353 20 30 DDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303984515 409562396 /nfs/dbraw/zinc/56/23/96/409562396.db2.gz SCGWDKABDAQLBV-OAHLLOKOSA-N 2 2 304.438 1.869 20 30 DDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303984515 409562409 /nfs/dbraw/zinc/56/24/09/409562409.db2.gz SCGWDKABDAQLBV-OAHLLOKOSA-N 2 2 304.438 1.869 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000342158635 409565835 /nfs/dbraw/zinc/56/58/35/409565835.db2.gz HNXIUXVKMBQNFZ-YPLQCARHSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000342158635 409565845 /nfs/dbraw/zinc/56/58/45/409565845.db2.gz HNXIUXVKMBQNFZ-YPLQCARHSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000342158635 409565853 /nfs/dbraw/zinc/56/58/53/409565853.db2.gz HNXIUXVKMBQNFZ-YPLQCARHSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000342158635 409565862 /nfs/dbraw/zinc/56/58/62/409565862.db2.gz HNXIUXVKMBQNFZ-YPLQCARHSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329200855 410163008 /nfs/dbraw/zinc/16/30/08/410163008.db2.gz BPNSZUPLUYMSJN-KFWWJZLASA-N 2 2 317.437 1.671 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000352886234 410684375 /nfs/dbraw/zinc/68/43/75/410684375.db2.gz PMJFQMKYXKGUQN-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000352886234 410684384 /nfs/dbraw/zinc/68/43/84/410684384.db2.gz PMJFQMKYXKGUQN-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000374209875 418505378 /nfs/dbraw/zinc/50/53/78/418505378.db2.gz RSTJBCKGIKEDAS-UHFFFAOYSA-N 2 2 315.421 1.932 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000245559916 222216819 /nfs/dbraw/zinc/21/68/19/222216819.db2.gz IKCFOEHDOHIXKD-GOEBONIOSA-N 2 2 302.422 1.184 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000245559916 222216822 /nfs/dbraw/zinc/21/68/22/222216822.db2.gz IKCFOEHDOHIXKD-GOEBONIOSA-N 2 2 302.422 1.184 20 30 DDEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2cccs2)CC1 ZINC000261815258 222258600 /nfs/dbraw/zinc/25/86/00/222258600.db2.gz TUBGRHGVUHUNCG-UHFFFAOYSA-N 2 2 321.494 1.541 20 30 DDEDLP COc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1OC ZINC000262657135 222288012 /nfs/dbraw/zinc/28/80/12/222288012.db2.gz LXWFIRHZLISUFO-YPMHNXCESA-N 2 2 306.410 1.244 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000369986129 418740050 /nfs/dbraw/zinc/74/00/50/418740050.db2.gz PWDWUTVEVAZZQB-UHFFFAOYSA-N 2 2 307.438 1.008 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000363694811 418768990 /nfs/dbraw/zinc/76/89/90/418768990.db2.gz CYAVNCDZWMOVHV-UHFFFAOYSA-N 2 2 321.465 1.398 20 30 DDEDLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424154550 228237063 /nfs/dbraw/zinc/23/70/63/228237063.db2.gz MOOZRZCKCGXINC-HOCLYGCPSA-N 2 2 315.421 1.308 20 30 DDEDLP Cc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252524 420329565 /nfs/dbraw/zinc/32/95/65/420329565.db2.gz ZSDCJIFNKNMJOV-ROUUACIJSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252524 420329568 /nfs/dbraw/zinc/32/95/68/420329568.db2.gz ZSDCJIFNKNMJOV-ROUUACIJSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000443974847 230041824 /nfs/dbraw/zinc/04/18/24/230041824.db2.gz WTUOTLDXZMBEGV-MRXNPFEDSA-N 2 2 300.406 1.296 20 30 DDEDLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000443974847 230041827 /nfs/dbraw/zinc/04/18/27/230041827.db2.gz WTUOTLDXZMBEGV-MRXNPFEDSA-N 2 2 300.406 1.296 20 30 DDEDLP C=CCn1cccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000488753411 421112122 /nfs/dbraw/zinc/11/21/22/421112122.db2.gz RCJIMXOTYOTNBR-UHFFFAOYSA-N 2 2 304.438 1.430 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C#N)ncn3)CC2)CC1 ZINC000562422069 421364538 /nfs/dbraw/zinc/36/45/38/421364538.db2.gz CZTSLEIETLBENU-UHFFFAOYSA-N 2 2 300.410 1.319 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316063 424564523 /nfs/dbraw/zinc/56/45/23/424564523.db2.gz HUWMUGXFYYNIQP-INIZCTEOSA-N 2 2 311.470 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316063 424564527 /nfs/dbraw/zinc/56/45/27/424564527.db2.gz HUWMUGXFYYNIQP-INIZCTEOSA-N 2 2 311.470 1.454 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000530231195 267787326 /nfs/dbraw/zinc/78/73/26/267787326.db2.gz FZBAPUNJQHDOBC-UKPHBRMFSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000530231195 267787328 /nfs/dbraw/zinc/78/73/28/267787328.db2.gz FZBAPUNJQHDOBC-UKPHBRMFSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841765 298135626 /nfs/dbraw/zinc/13/56/26/298135626.db2.gz OLMSLGVEBCOOAB-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841765 298135628 /nfs/dbraw/zinc/13/56/28/298135628.db2.gz OLMSLGVEBCOOAB-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841765 298135630 /nfs/dbraw/zinc/13/56/30/298135630.db2.gz OLMSLGVEBCOOAB-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841765 298135632 /nfs/dbraw/zinc/13/56/32/298135632.db2.gz OLMSLGVEBCOOAB-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000582660927 337117225 /nfs/dbraw/zinc/11/72/25/337117225.db2.gz TWVUEUPLRKAOHQ-GDBMZVCRSA-N 2 2 314.389 1.367 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000582660928 337117309 /nfs/dbraw/zinc/11/73/09/337117309.db2.gz TWVUEUPLRKAOHQ-GOEBONIOSA-N 2 2 314.389 1.367 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2C)CC1 ZINC000491071920 526949832 /nfs/dbraw/zinc/94/98/32/526949832.db2.gz OPEADDWKXQNYNP-UHFFFAOYSA-N 2 2 313.445 1.597 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2SCC)CC1 ZINC000490719973 526950150 /nfs/dbraw/zinc/95/01/50/526950150.db2.gz PIGAKKLXFBEFGR-CVEARBPZSA-N 2 2 323.506 1.418 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377493569 527637288 /nfs/dbraw/zinc/63/72/88/527637288.db2.gz GVVWJXXXMSMFDF-LSDHHAIUSA-N 2 2 302.422 1.685 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183702 696702526 /nfs/dbraw/zinc/70/25/26/696702526.db2.gz PJUGZXCBJMHBID-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183702 696702529 /nfs/dbraw/zinc/70/25/29/696702529.db2.gz PJUGZXCBJMHBID-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924488 696970762 /nfs/dbraw/zinc/97/07/62/696970762.db2.gz PROQLRSPDYTIOY-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924488 696970764 /nfs/dbraw/zinc/97/07/64/696970764.db2.gz PROQLRSPDYTIOY-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981988793 696995648 /nfs/dbraw/zinc/99/56/48/696995648.db2.gz DSLVNEUIBMZZAC-HUUCEWRRSA-N 2 2 302.422 1.634 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981988793 696995650 /nfs/dbraw/zinc/99/56/50/696995650.db2.gz DSLVNEUIBMZZAC-HUUCEWRRSA-N 2 2 302.422 1.634 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260008 698063045 /nfs/dbraw/zinc/06/30/45/698063045.db2.gz LEYLYHRJPBTZEJ-CJNGLKHVSA-N 2 2 323.400 1.603 20 30 DDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(S(N)(=O)=O)cc1 ZINC000776177745 698076658 /nfs/dbraw/zinc/07/66/58/698076658.db2.gz UCQTVEVCRXVYPP-UHFFFAOYSA-N 2 2 319.390 1.241 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603084 698161632 /nfs/dbraw/zinc/16/16/32/698161632.db2.gz FUMIJQHUNRFMTA-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000846885327 703346969 /nfs/dbraw/zinc/34/69/69/703346969.db2.gz PCLWMQSFFCFJEB-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825179775 705616784 /nfs/dbraw/zinc/61/67/84/705616784.db2.gz DKQHZQIYVOSQDX-MSOLQXFVSA-N 2 2 311.429 1.566 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825179775 705616788 /nfs/dbraw/zinc/61/67/88/705616788.db2.gz DKQHZQIYVOSQDX-MSOLQXFVSA-N 2 2 311.429 1.566 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C#CC(C)(C)C)CC2)CC1 ZINC000837377676 707632505 /nfs/dbraw/zinc/63/25/05/707632505.db2.gz SSAPFPVOQJAYPD-UHFFFAOYSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000928656994 713254652 /nfs/dbraw/zinc/25/46/52/713254652.db2.gz LKJBWOJCRBOBIM-UHFFFAOYSA-N 2 2 322.412 1.759 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000964067388 717990683 /nfs/dbraw/zinc/99/06/83/717990683.db2.gz RBNDQAZWKSGXJU-RWQKBRBCSA-N 2 2 314.433 1.649 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934087138 714737889 /nfs/dbraw/zinc/73/78/89/714737889.db2.gz CFZABEDDGNEJDU-UHFFFAOYSA-N 2 2 315.421 1.758 20 30 DDEDLP C=C1CCC(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000926547337 715085246 /nfs/dbraw/zinc/08/52/46/715085246.db2.gz CSMDAHYZOKMDOL-UHFFFAOYSA-N 2 2 310.486 1.916 20 30 DDEDLP C=C1CCC(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000926547337 715085249 /nfs/dbraw/zinc/08/52/49/715085249.db2.gz CSMDAHYZOKMDOL-UHFFFAOYSA-N 2 2 310.486 1.916 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960654972 716648123 /nfs/dbraw/zinc/64/81/23/716648123.db2.gz GOGMTWYHZLLGHT-QMCVQRASSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960654972 716648127 /nfs/dbraw/zinc/64/81/27/716648127.db2.gz GOGMTWYHZLLGHT-QMCVQRASSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961149875 716834913 /nfs/dbraw/zinc/83/49/13/716834913.db2.gz NFUNQTVDCLZZPX-FICVDOATSA-N 2 2 316.792 1.747 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961149875 716834916 /nfs/dbraw/zinc/83/49/16/716834916.db2.gz NFUNQTVDCLZZPX-FICVDOATSA-N 2 2 316.792 1.747 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289951 716897921 /nfs/dbraw/zinc/89/79/21/716897921.db2.gz YYPILDUQZTUNAO-JKSUJKDBSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289951 716897925 /nfs/dbraw/zinc/89/79/25/716897925.db2.gz YYPILDUQZTUNAO-JKSUJKDBSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401454 718871645 /nfs/dbraw/zinc/87/16/45/718871645.db2.gz BJIMIPPXUQDPTG-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401454 718871650 /nfs/dbraw/zinc/87/16/50/718871650.db2.gz BJIMIPPXUQDPTG-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947552682 719209522 /nfs/dbraw/zinc/20/95/22/719209522.db2.gz XAYJRFUVOLZTQR-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947552682 719209524 /nfs/dbraw/zinc/20/95/24/719209524.db2.gz XAYJRFUVOLZTQR-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376990 719543378 /nfs/dbraw/zinc/54/33/78/719543378.db2.gz CVIJPTCMNUQBEW-CABCVRRESA-N 2 2 302.422 1.466 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376990 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C[NH+]1CC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172980714 776951229 /nfs/dbraw/zinc/95/12/29/776951229.db2.gz CEXIWNJKMXUFQG-KGLIPLIRSA-N 2 2 308.426 1.429 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179626648 779441495 /nfs/dbraw/zinc/44/14/95/779441495.db2.gz ZCEDQRCDROOPFD-HZPDHXFCSA-N 2 2 316.449 1.813 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897123 837022635 /nfs/dbraw/zinc/02/26/35/837022635.db2.gz LQHNRPVESRDFOB-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897123 837022644 /nfs/dbraw/zinc/02/26/44/837022644.db2.gz LQHNRPVESRDFOB-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267094628 837330405 /nfs/dbraw/zinc/33/04/05/837330405.db2.gz VFLZFOHHFPCWBQ-CABCVRRESA-N 2 2 304.438 1.946 20 30 DDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001267622358 838514039 /nfs/dbraw/zinc/51/40/39/838514039.db2.gz WPBYMRDHAQVPJR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001267622358 838514043 /nfs/dbraw/zinc/51/40/43/838514043.db2.gz WPBYMRDHAQVPJR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267622358 838514045 /nfs/dbraw/zinc/51/40/45/838514045.db2.gz WPBYMRDHAQVPJR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267622358 838514049 /nfs/dbraw/zinc/51/40/49/838514049.db2.gz WPBYMRDHAQVPJR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001267791258 838987362 /nfs/dbraw/zinc/98/73/62/838987362.db2.gz WVXITHLLBZGMBI-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001267791258 838987369 /nfs/dbraw/zinc/98/73/69/838987369.db2.gz WVXITHLLBZGMBI-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CCC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001267863412 839095610 /nfs/dbraw/zinc/09/56/10/839095610.db2.gz IDBYDPGXSUPTHR-KRWDZBQOSA-N 2 2 302.422 1.251 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001279249141 839540419 /nfs/dbraw/zinc/54/04/19/839540419.db2.gz GVDMQSVGFUWFOJ-WLYUNCDWSA-N 2 2 300.406 1.048 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001268124018 839717767 /nfs/dbraw/zinc/71/77/67/839717767.db2.gz PRTPLQHDZBTMKM-MRXNPFEDSA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001268133977 839733932 /nfs/dbraw/zinc/73/39/32/839733932.db2.gz VSBVDKQWAROELD-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001326305454 861269170 /nfs/dbraw/zinc/26/91/70/861269170.db2.gz UVLPLUOPGIPLBW-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001269973523 842195298 /nfs/dbraw/zinc/19/52/98/842195298.db2.gz ULHSTKKNJOLALY-UONOGXRCSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001271278966 843464584 /nfs/dbraw/zinc/46/45/84/843464584.db2.gz VFPJPAQWYYADNL-HUUCEWRRSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001280413116 843759128 /nfs/dbraw/zinc/75/91/28/843759128.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001280413116 843759134 /nfs/dbraw/zinc/75/91/34/843759134.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280413116 843759143 /nfs/dbraw/zinc/75/91/43/843759143.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280413116 843759151 /nfs/dbraw/zinc/75/91/51/843759151.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001326875828 861679180 /nfs/dbraw/zinc/67/91/80/861679180.db2.gz RBMWENNESWPQMB-MRXNPFEDSA-N 2 2 321.465 1.444 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001326875828 861679187 /nfs/dbraw/zinc/67/91/87/861679187.db2.gz RBMWENNESWPQMB-MRXNPFEDSA-N 2 2 321.465 1.444 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272873418 847575670 /nfs/dbraw/zinc/57/56/70/847575670.db2.gz KMBHIXYBQWKGBG-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279422 848238830 /nfs/dbraw/zinc/23/88/30/848238830.db2.gz RRMVAJZZPGAQEM-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279422 848238838 /nfs/dbraw/zinc/23/88/38/848238838.db2.gz RRMVAJZZPGAQEM-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273457373 850843465 /nfs/dbraw/zinc/84/34/65/850843465.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273457373 850843468 /nfs/dbraw/zinc/84/34/68/850843468.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273457373 850843478 /nfs/dbraw/zinc/84/34/78/850843478.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273457373 850843487 /nfs/dbraw/zinc/84/34/87/850843487.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001273883961 851461402 /nfs/dbraw/zinc/46/14/02/851461402.db2.gz FYURJFAVWGYMCU-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001273883961 851461412 /nfs/dbraw/zinc/46/14/12/851461412.db2.gz FYURJFAVWGYMCU-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001274652754 852487015 /nfs/dbraw/zinc/48/70/15/852487015.db2.gz GDADCNUGNWWUBK-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001274652754 852487018 /nfs/dbraw/zinc/48/70/18/852487018.db2.gz GDADCNUGNWWUBK-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150777397 862465048 /nfs/dbraw/zinc/46/50/48/862465048.db2.gz DNQQWOBXESDFBR-AWEZNQCLSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777397 862465052 /nfs/dbraw/zinc/46/50/52/862465052.db2.gz DNQQWOBXESDFBR-AWEZNQCLSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777397 862465059 /nfs/dbraw/zinc/46/50/59/862465059.db2.gz DNQQWOBXESDFBR-AWEZNQCLSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777397 862465062 /nfs/dbraw/zinc/46/50/62/862465062.db2.gz DNQQWOBXESDFBR-AWEZNQCLSA-N 2 2 317.861 1.286 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001276208709 854970829 /nfs/dbraw/zinc/97/08/29/854970829.db2.gz RKAWFCBYXBYGSU-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001276208709 854970833 /nfs/dbraw/zinc/97/08/33/854970833.db2.gz RKAWFCBYXBYGSU-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001276254601 855061025 /nfs/dbraw/zinc/06/10/25/855061025.db2.gz DVYUJSPQKZRPRZ-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013340 860594177 /nfs/dbraw/zinc/59/41/77/860594177.db2.gz JCGBJNODGQTMKI-CABCVRRESA-N 2 2 300.406 1.383 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013340 860594178 /nfs/dbraw/zinc/59/41/78/860594178.db2.gz JCGBJNODGQTMKI-CABCVRRESA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001277001460 881568505 /nfs/dbraw/zinc/56/85/05/881568505.db2.gz NDURTVSAGHGYIY-RBSFLKMASA-N 2 2 302.422 1.506 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001329934695 863954592 /nfs/dbraw/zinc/95/45/92/863954592.db2.gz ZIQLXLJTIDWZPQ-CABCVRRESA-N 2 2 317.437 1.612 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2C#C[Si](C)(C)C)CC1 ZINC001157915260 864256473 /nfs/dbraw/zinc/25/64/73/864256473.db2.gz NQQYFZYNIRWJDK-UHFFFAOYSA-N 2 2 315.497 1.905 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092567 864404940 /nfs/dbraw/zinc/40/49/40/864404940.db2.gz JOJSCJJKZPHBAB-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092567 864404942 /nfs/dbraw/zinc/40/49/42/864404942.db2.gz JOJSCJJKZPHBAB-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)cc1C#N ZINC001158267097 864528852 /nfs/dbraw/zinc/52/88/52/864528852.db2.gz ODSUTDPGQHNIOH-ZDUSSCGKSA-N 2 2 319.840 1.917 20 30 DDEDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)cc1C#N ZINC001158267097 864528861 /nfs/dbraw/zinc/52/88/61/864528861.db2.gz ODSUTDPGQHNIOH-ZDUSSCGKSA-N 2 2 319.840 1.917 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748745 866096823 /nfs/dbraw/zinc/09/68/23/866096823.db2.gz MYJFCXIWZZAZPH-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748745 866096838 /nfs/dbraw/zinc/09/68/38/866096838.db2.gz MYJFCXIWZZAZPH-UHFFFAOYSA-N 2 2 314.433 1.514 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309286 866512460 /nfs/dbraw/zinc/51/24/60/866512460.db2.gz KVALXGYNEORZOR-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705361 866916105 /nfs/dbraw/zinc/91/61/05/866916105.db2.gz RJDSPMSKLYZSHK-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705361 866916121 /nfs/dbraw/zinc/91/61/21/866916121.db2.gz RJDSPMSKLYZSHK-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001324031087 867020136 /nfs/dbraw/zinc/02/01/36/867020136.db2.gz VTOCOQXSDDFDIO-QGZVFWFLSA-N 2 2 305.466 1.663 20 30 DDEDLP C[NH+](C)C1(CNc2ccc(C#N)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164212912 869021096 /nfs/dbraw/zinc/02/10/96/869021096.db2.gz KBSFZMMRKCDIAG-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001316972110 870022937 /nfs/dbraw/zinc/02/29/37/870022937.db2.gz MGJCIVIGNGSLNH-OAHLLOKOSA-N 2 2 319.453 1.041 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001204583285 871160709 /nfs/dbraw/zinc/16/07/09/871160709.db2.gz KRFLPVZHHXMWNY-UHFFFAOYSA-N 2 2 317.481 1.520 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001317662199 871352995 /nfs/dbraw/zinc/35/29/95/871352995.db2.gz WGODLYQSZVOYAN-UHFFFAOYSA-N 2 2 311.389 1.311 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553040 871625150 /nfs/dbraw/zinc/62/51/50/871625150.db2.gz ORYRPXCHDCHJNA-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450662 874153249 /nfs/dbraw/zinc/15/32/49/874153249.db2.gz JITIUTTZOJECCQ-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210901431 875590609 /nfs/dbraw/zinc/59/06/09/875590609.db2.gz ZMRJXDGCBHLYBH-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001378915903 875905531 /nfs/dbraw/zinc/90/55/31/875905531.db2.gz CKSGTPNMYKUXCS-ZIAGYGMSSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977471 876117602 /nfs/dbraw/zinc/11/76/02/876117602.db2.gz HBCOASLQLXEMND-RRFJBIMHSA-N 2 2 306.410 1.053 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977471 876117608 /nfs/dbraw/zinc/11/76/08/876117608.db2.gz HBCOASLQLXEMND-RRFJBIMHSA-N 2 2 306.410 1.053 20 30 DDEDLP CCc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc(CC)c1C#N ZINC001219112744 877932149 /nfs/dbraw/zinc/93/21/49/877932149.db2.gz UAECOUAIEGIPMY-INIZCTEOSA-N 2 2 311.389 1.915 20 30 DDEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220664187 879169027 /nfs/dbraw/zinc/16/90/27/879169027.db2.gz YNMHWEYYDIOSTN-DRRHNWJESA-N 2 2 315.417 1.650 20 30 DDEDLP N#CCOc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497581 880512729 /nfs/dbraw/zinc/51/27/29/880512729.db2.gz QGVPAJFUYOSDIS-IRXDYDNUSA-N 2 2 300.406 1.115 20 30 DDEDLP N#CCOc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497581 880512738 /nfs/dbraw/zinc/51/27/38/880512738.db2.gz QGVPAJFUYOSDIS-IRXDYDNUSA-N 2 2 300.406 1.115 20 30 DDEDLP C[NH+](C)CC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001230592079 884628978 /nfs/dbraw/zinc/62/89/78/884628978.db2.gz QZYLRSQHVCHYLS-INIZCTEOSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+](C)CC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001230592079 884628984 /nfs/dbraw/zinc/62/89/84/884628984.db2.gz QZYLRSQHVCHYLS-INIZCTEOSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230617819 884657455 /nfs/dbraw/zinc/65/74/55/884657455.db2.gz GGFMJTZGUGKOHF-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230617819 884657462 /nfs/dbraw/zinc/65/74/62/884657462.db2.gz GGFMJTZGUGKOHF-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)c1C#N ZINC001235999363 889055409 /nfs/dbraw/zinc/05/54/09/889055409.db2.gz BMBHAMUJOWDMMM-MPYYAJLASA-N 2 2 318.396 1.169 20 30 DDEDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)c1C#N ZINC001235999363 889055423 /nfs/dbraw/zinc/05/54/23/889055423.db2.gz BMBHAMUJOWDMMM-MPYYAJLASA-N 2 2 318.396 1.169 20 30 DDEDLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001366518705 893830859 /nfs/dbraw/zinc/83/08/59/893830859.db2.gz JVIYCWXNHLAOEM-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC001366518705 893830878 /nfs/dbraw/zinc/83/08/78/893830878.db2.gz JVIYCWXNHLAOEM-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC001366518705 893830900 /nfs/dbraw/zinc/83/09/00/893830900.db2.gz JVIYCWXNHLAOEM-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC001366518705 893830921 /nfs/dbraw/zinc/83/09/21/893830921.db2.gz JVIYCWXNHLAOEM-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665691 896564036 /nfs/dbraw/zinc/56/40/36/896564036.db2.gz PFWMALICZRYUOS-DDBAPUKQSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665691 896564046 /nfs/dbraw/zinc/56/40/46/896564046.db2.gz PFWMALICZRYUOS-DDBAPUKQSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665691 896564057 /nfs/dbraw/zinc/56/40/57/896564057.db2.gz PFWMALICZRYUOS-DDBAPUKQSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665691 896564069 /nfs/dbraw/zinc/56/40/69/896564069.db2.gz PFWMALICZRYUOS-DDBAPUKQSA-N 2 2 313.449 1.866 20 30 DDEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278882893 897102839 /nfs/dbraw/zinc/10/28/39/897102839.db2.gz DMUZDXIFXOITLE-UHFFFAOYSA-N 2 2 323.481 1.378 20 30 DDEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001278882893 897102844 /nfs/dbraw/zinc/10/28/44/897102844.db2.gz DMUZDXIFXOITLE-UHFFFAOYSA-N 2 2 323.481 1.378 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(NC)c2)CC1 ZINC001263778088 900705588 /nfs/dbraw/zinc/70/55/88/900705588.db2.gz DRBOXUTYKQPHOS-UHFFFAOYSA-N 2 2 301.394 1.020 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264520885 901167071 /nfs/dbraw/zinc/16/70/71/901167071.db2.gz QWFWTAMWWJLGTR-BBRMVZONSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001391238667 901301753 /nfs/dbraw/zinc/30/17/53/901301753.db2.gz DCGCVPBGLCZBQV-CYBMUJFWSA-N 2 2 310.829 1.852 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001265197510 901691489 /nfs/dbraw/zinc/69/14/89/901691489.db2.gz SIQNZNOXWLWFFX-HNNXBMFYSA-N 2 2 302.422 1.780 20 30 DDEDLP COCC#CC[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874792 902525857 /nfs/dbraw/zinc/52/58/57/902525857.db2.gz LDHCNBXYGMHMPY-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP COCC#CC[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874792 902525874 /nfs/dbraw/zinc/52/58/74/902525874.db2.gz LDHCNBXYGMHMPY-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266106063 902953690 /nfs/dbraw/zinc/95/36/90/902953690.db2.gz XDYXSNLWBXTPLZ-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266106063 902953699 /nfs/dbraw/zinc/95/36/99/902953699.db2.gz XDYXSNLWBXTPLZ-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001281681369 905157011 /nfs/dbraw/zinc/15/70/11/905157011.db2.gz AQEYMFIMDBPTBD-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001281681369 905157015 /nfs/dbraw/zinc/15/70/15/905157015.db2.gz AQEYMFIMDBPTBD-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282723808 905985449 /nfs/dbraw/zinc/98/54/49/905985449.db2.gz BFBGIRUSSICZDK-AWEZNQCLSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[NH2+][C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001283442036 907360214 /nfs/dbraw/zinc/36/02/14/907360214.db2.gz OJRHPPCAXAFRPA-MRXNPFEDSA-N 2 2 316.449 1.516 20 30 DDEDLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001393973877 908426637 /nfs/dbraw/zinc/42/66/37/908426637.db2.gz GDQSWJMPAHEEJY-WDEREUQCSA-N 2 2 317.418 1.568 20 30 DDEDLP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001284433076 908994710 /nfs/dbraw/zinc/99/47/10/908994710.db2.gz WBIOFBBEZIGRBY-AWEZNQCLSA-N 2 2 316.405 1.323 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001284630253 909276623 /nfs/dbraw/zinc/27/66/23/909276623.db2.gz IQMSYWLTKMFGLJ-GJZGRUSLSA-N 2 2 304.438 1.978 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001284773769 909474881 /nfs/dbraw/zinc/47/48/81/909474881.db2.gz JWLLIBIRJKNOQV-QQFBHYJXSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151111602 539197616 /nfs/dbraw/zinc/19/76/16/539197616.db2.gz LDKSCVXEGQNJQS-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP C[NH+]1CCC(CNC(=O)NCCC#N)([NH+]2CCCCC2)CC1 ZINC000331153356 530049064 /nfs/dbraw/zinc/04/90/64/530049064.db2.gz OSKUGIQDGFOUCJ-UHFFFAOYSA-N 2 2 307.442 1.354 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000060795585 352879976 /nfs/dbraw/zinc/87/99/76/352879976.db2.gz FZCVTDXJPDDZCV-UHFFFAOYSA-N 2 2 323.400 1.489 20 30 DDEDLP C[C@H]1C[C@@]1(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000590671509 355142629 /nfs/dbraw/zinc/14/26/29/355142629.db2.gz QYRDZGGHCFQGEF-YJBOKZPZSA-N 2 2 318.465 1.603 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cncc(C#N)n3)CC2)CC1 ZINC000591460907 355316532 /nfs/dbraw/zinc/31/65/32/355316532.db2.gz OGIGSIACOOBDPN-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000592291251 355553254 /nfs/dbraw/zinc/55/32/54/355553254.db2.gz ZTMZVSFHYINLIG-UHFFFAOYSA-N 2 2 323.462 1.798 20 30 DDEDLP Cc1cc(C#N)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596927758 357016481 /nfs/dbraw/zinc/01/64/81/357016481.db2.gz HUDAKWHOEZEOQQ-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP Cc1cc(C#N)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000596927758 357016485 /nfs/dbraw/zinc/01/64/85/357016485.db2.gz HUDAKWHOEZEOQQ-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623132 357996188 /nfs/dbraw/zinc/99/61/88/357996188.db2.gz SKZGPTAUBPREBD-HNNXBMFYSA-N 2 2 309.454 1.474 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OCC)n2)CC1 ZINC000600134692 358133322 /nfs/dbraw/zinc/13/33/22/358133322.db2.gz QQUQHBQNVYYSLC-UHFFFAOYSA-N 2 2 303.406 1.998 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330445779 223116831 /nfs/dbraw/zinc/11/68/31/223116831.db2.gz RCJISKFLYFRVHA-OAHLLOKOSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000330445779 223116833 /nfs/dbraw/zinc/11/68/33/223116833.db2.gz RCJISKFLYFRVHA-OAHLLOKOSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330445779 223116836 /nfs/dbraw/zinc/11/68/36/223116836.db2.gz RCJISKFLYFRVHA-OAHLLOKOSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000330445779 223116837 /nfs/dbraw/zinc/11/68/37/223116837.db2.gz RCJISKFLYFRVHA-OAHLLOKOSA-N 2 2 307.442 1.768 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370695614 223633696 /nfs/dbraw/zinc/63/36/96/223633696.db2.gz BUGNUULUXULPBG-HNNXBMFYSA-N 2 2 306.454 1.745 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370695614 223633699 /nfs/dbraw/zinc/63/36/99/223633699.db2.gz BUGNUULUXULPBG-HNNXBMFYSA-N 2 2 306.454 1.745 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271700322 209136679 /nfs/dbraw/zinc/13/66/79/209136679.db2.gz TVYCNOFCCBYNOS-CABCVRRESA-N 2 2 314.433 1.761 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154743682 408078875 /nfs/dbraw/zinc/07/88/75/408078875.db2.gz CDACIIZMSSJJKX-DLBZAZTESA-N 2 2 305.466 1.568 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154743682 408078882 /nfs/dbraw/zinc/07/88/82/408078882.db2.gz CDACIIZMSSJJKX-DLBZAZTESA-N 2 2 305.466 1.568 20 30 DDEDLP C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000273331077 408154371 /nfs/dbraw/zinc/15/43/71/408154371.db2.gz JMDQMIPENCMRBR-OAHLLOKOSA-N 2 2 315.465 1.606 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150786216 408202599 /nfs/dbraw/zinc/20/25/99/408202599.db2.gz DXVJOVJTCDSZIO-INIZCTEOSA-N 2 2 317.437 1.060 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150786216 408202602 /nfs/dbraw/zinc/20/26/02/408202602.db2.gz DXVJOVJTCDSZIO-INIZCTEOSA-N 2 2 317.437 1.060 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000121527808 408232144 /nfs/dbraw/zinc/23/21/44/408232144.db2.gz DWVNHUXRISJUOX-UHFFFAOYSA-N 2 2 309.454 1.256 20 30 DDEDLP C=CC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000121527808 408232149 /nfs/dbraw/zinc/23/21/49/408232149.db2.gz DWVNHUXRISJUOX-UHFFFAOYSA-N 2 2 309.454 1.256 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000292763598 409040896 /nfs/dbraw/zinc/04/08/96/409040896.db2.gz KKQVTQNCXXGULG-OAHLLOKOSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000292763598 409040899 /nfs/dbraw/zinc/04/08/99/409040899.db2.gz KKQVTQNCXXGULG-OAHLLOKOSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000292763598 409040902 /nfs/dbraw/zinc/04/09/02/409040902.db2.gz KKQVTQNCXXGULG-OAHLLOKOSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000292763598 409040906 /nfs/dbraw/zinc/04/09/06/409040906.db2.gz KKQVTQNCXXGULG-OAHLLOKOSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802499 409092155 /nfs/dbraw/zinc/09/21/55/409092155.db2.gz FZZQZLKPVPCGKF-CQSZACIVSA-N 2 2 314.433 1.537 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297475368 409916052 /nfs/dbraw/zinc/91/60/52/409916052.db2.gz LYCVFECHOCZPAC-AWEZNQCLSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297475368 409916059 /nfs/dbraw/zinc/91/60/59/409916059.db2.gz LYCVFECHOCZPAC-AWEZNQCLSA-N 2 2 303.410 1.254 20 30 DDEDLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328601901 409934325 /nfs/dbraw/zinc/93/43/25/409934325.db2.gz GICWFEIMTAENMQ-ZIAGYGMSSA-N 2 2 305.426 1.701 20 30 DDEDLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH+]cn1C ZINC000329214108 410171591 /nfs/dbraw/zinc/17/15/91/410171591.db2.gz KPKQMGUJEJBMFG-DOMZBBRYSA-N 2 2 305.426 1.464 20 30 DDEDLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1c[nH+]cn1C ZINC000329214108 410171598 /nfs/dbraw/zinc/17/15/98/410171598.db2.gz KPKQMGUJEJBMFG-DOMZBBRYSA-N 2 2 305.426 1.464 20 30 DDEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000329498949 410329314 /nfs/dbraw/zinc/32/93/14/410329314.db2.gz FOKUXEQVAXYRMM-MRXNPFEDSA-N 2 2 313.405 1.423 20 30 DDEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000329498949 410329318 /nfs/dbraw/zinc/32/93/18/410329318.db2.gz FOKUXEQVAXYRMM-MRXNPFEDSA-N 2 2 313.405 1.423 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329750323 410431014 /nfs/dbraw/zinc/43/10/14/410431014.db2.gz UYYMVKLLGRAFTH-MJBXVCDLSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329750323 410431020 /nfs/dbraw/zinc/43/10/20/410431020.db2.gz UYYMVKLLGRAFTH-MJBXVCDLSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329750323 410431024 /nfs/dbraw/zinc/43/10/24/410431024.db2.gz UYYMVKLLGRAFTH-MJBXVCDLSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329750323 410431027 /nfs/dbraw/zinc/43/10/27/410431027.db2.gz UYYMVKLLGRAFTH-MJBXVCDLSA-N 2 2 317.437 1.740 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330176026 410573133 /nfs/dbraw/zinc/57/31/33/410573133.db2.gz JPIJWMZZEHUCTI-CQSZACIVSA-N 2 2 319.453 1.966 20 30 DDEDLP C[NH+]=C(NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)NC1CC1 ZINC000264029739 222309211 /nfs/dbraw/zinc/30/92/11/222309211.db2.gz DBRXLKPLFFNJPZ-HNNXBMFYSA-N 2 2 315.465 1.525 20 30 DDEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000371456276 418792671 /nfs/dbraw/zinc/79/26/71/418792671.db2.gz MAKIOZWROFGIHG-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000371456276 418792672 /nfs/dbraw/zinc/79/26/72/418792672.db2.gz MAKIOZWROFGIHG-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000371456276 418792673 /nfs/dbraw/zinc/79/26/73/418792673.db2.gz MAKIOZWROFGIHG-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000371456276 418792674 /nfs/dbraw/zinc/79/26/74/418792674.db2.gz MAKIOZWROFGIHG-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1C#N ZINC000365082346 418836570 /nfs/dbraw/zinc/83/65/70/418836570.db2.gz DHQRODAROCAHLF-DOTOQJQBSA-N 2 2 302.422 1.487 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447535667 420780012 /nfs/dbraw/zinc/78/00/12/420780012.db2.gz HQLCZXJKVODIEY-XHSDSOJGSA-N 2 2 306.454 1.601 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447535667 420780017 /nfs/dbraw/zinc/78/00/17/420780017.db2.gz HQLCZXJKVODIEY-XHSDSOJGSA-N 2 2 306.454 1.601 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459082048 420799587 /nfs/dbraw/zinc/79/95/87/420799587.db2.gz RNGJOZWLASSTHU-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459082048 420799593 /nfs/dbraw/zinc/79/95/93/420799593.db2.gz RNGJOZWLASSTHU-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378471881 267042043 /nfs/dbraw/zinc/04/20/43/267042043.db2.gz IBXRRYVEKQWCSX-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378471881 267042048 /nfs/dbraw/zinc/04/20/48/267042048.db2.gz IBXRRYVEKQWCSX-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C(F)F)CC2)cc1 ZINC000344118130 268065830 /nfs/dbraw/zinc/06/58/30/268065830.db2.gz YNPLTZPQINQBOS-OAHLLOKOSA-N 2 2 309.360 1.738 20 30 DDEDLP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000573315687 308237023 /nfs/dbraw/zinc/23/70/23/308237023.db2.gz RLJCBFMZSMFTSP-RRQGHBQHSA-N 2 2 312.417 1.389 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000118989091 336875890 /nfs/dbraw/zinc/87/58/90/336875890.db2.gz LTMNCELDZJFXTH-MRXNPFEDSA-N 2 2 312.417 1.122 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000574714024 341766659 /nfs/dbraw/zinc/76/66/59/341766659.db2.gz SGIBICSDEQSLIO-MCIONIFRSA-N 2 2 301.394 1.193 20 30 DDEDLP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000677048233 486386064 /nfs/dbraw/zinc/38/60/64/486386064.db2.gz QVMHJTOSIMLCAV-OAHLLOKOSA-N 2 2 304.438 1.967 20 30 DDEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343568168 534470366 /nfs/dbraw/zinc/47/03/66/534470366.db2.gz ZAWFWDUANOQZPM-IYBDPMFKSA-N 2 2 321.465 1.880 20 30 DDEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343568168 534470374 /nfs/dbraw/zinc/47/03/74/534470374.db2.gz ZAWFWDUANOQZPM-IYBDPMFKSA-N 2 2 321.465 1.880 20 30 DDEDLP C#CCNC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000491067551 526975115 /nfs/dbraw/zinc/97/51/15/526975115.db2.gz JDSCLCGOJDQKFO-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330940845 527557820 /nfs/dbraw/zinc/55/78/20/527557820.db2.gz CPGQKVNBJUQBBJ-ZDUSSCGKSA-N 2 2 320.393 1.363 20 30 DDEDLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330940845 527557821 /nfs/dbraw/zinc/55/78/21/527557821.db2.gz CPGQKVNBJUQBBJ-ZDUSSCGKSA-N 2 2 320.393 1.363 20 30 DDEDLP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330517369 528973237 /nfs/dbraw/zinc/97/32/37/528973237.db2.gz NUQAEHVDCIHOFA-UHFFFAOYSA-N 2 2 312.458 1.085 20 30 DDEDLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330517369 528973244 /nfs/dbraw/zinc/97/32/44/528973244.db2.gz NUQAEHVDCIHOFA-UHFFFAOYSA-N 2 2 312.458 1.085 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737731 695076790 /nfs/dbraw/zinc/07/67/90/695076790.db2.gz ZGRHKKWRDHVDTB-KGLIPLIRSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737731 695076793 /nfs/dbraw/zinc/07/67/93/695076793.db2.gz ZGRHKKWRDHVDTB-KGLIPLIRSA-N 2 2 301.862 1.858 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213324 696709575 /nfs/dbraw/zinc/70/95/75/696709575.db2.gz GQWOZMKHTDKVGL-RRFJBIMHSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980213324 696709578 /nfs/dbraw/zinc/70/95/78/696709578.db2.gz GQWOZMKHTDKVGL-RRFJBIMHSA-N 2 2 300.406 1.111 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473511 696179160 /nfs/dbraw/zinc/17/91/60/696179160.db2.gz XNHUYAHHFUBQJL-KGLIPLIRSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473511 696179162 /nfs/dbraw/zinc/17/91/62/696179162.db2.gz XNHUYAHHFUBQJL-KGLIPLIRSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473511 696179163 /nfs/dbraw/zinc/17/91/63/696179163.db2.gz XNHUYAHHFUBQJL-KGLIPLIRSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473511 696179165 /nfs/dbraw/zinc/17/91/65/696179165.db2.gz XNHUYAHHFUBQJL-KGLIPLIRSA-N 2 2 313.873 1.907 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165512 697024261 /nfs/dbraw/zinc/02/42/61/697024261.db2.gz WHLKJECNFIUQBM-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165512 697024263 /nfs/dbraw/zinc/02/42/63/697024263.db2.gz WHLKJECNFIUQBM-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986605540 697850179 /nfs/dbraw/zinc/85/01/79/697850179.db2.gz XYRKLKPTCQJLOP-OLZOCXBDSA-N 2 2 310.829 1.684 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987567597 698152850 /nfs/dbraw/zinc/15/28/50/698152850.db2.gz ORRSSNQWONFNRK-DZGCQCFKSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987567597 698152851 /nfs/dbraw/zinc/15/28/51/698152851.db2.gz ORRSSNQWONFNRK-DZGCQCFKSA-N 2 2 319.474 1.871 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOC[C@H]2CCCO2)cc1 ZINC000782337699 698711022 /nfs/dbraw/zinc/71/10/22/698711022.db2.gz NATLOKVWIFCOOT-MRXNPFEDSA-N 2 2 321.421 1.581 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991118122 699238819 /nfs/dbraw/zinc/23/88/19/699238819.db2.gz MGJHLTRVOGTDNZ-AHEZYBDSSA-N 2 2 312.417 1.650 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991118122 699238821 /nfs/dbraw/zinc/23/88/21/699238821.db2.gz MGJHLTRVOGTDNZ-AHEZYBDSSA-N 2 2 312.417 1.650 20 30 DDEDLP C[C@H](C#N)OCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711788686 699259844 /nfs/dbraw/zinc/25/98/44/699259844.db2.gz OIBRHXHETUYEAJ-SJLPKXTDSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711788686 699259845 /nfs/dbraw/zinc/25/98/45/699259845.db2.gz OIBRHXHETUYEAJ-SJLPKXTDSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711788686 699259847 /nfs/dbraw/zinc/25/98/47/699259847.db2.gz OIBRHXHETUYEAJ-SJLPKXTDSA-N 2 2 317.433 1.484 20 30 DDEDLP C[C@H](C#N)OCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711788686 699259848 /nfs/dbraw/zinc/25/98/48/699259848.db2.gz OIBRHXHETUYEAJ-SJLPKXTDSA-N 2 2 317.433 1.484 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000728538224 699448711 /nfs/dbraw/zinc/44/87/11/699448711.db2.gz KEVRUYRZSKIISZ-MRXNPFEDSA-N 2 2 300.406 1.392 20 30 DDEDLP C[NH+](C)CCCNC(=S)N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814845741 701757499 /nfs/dbraw/zinc/75/74/99/701757499.db2.gz UKYLGQADKUJLSM-UHFFFAOYSA-N 2 2 319.478 1.725 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000852859012 704150723 /nfs/dbraw/zinc/15/07/23/704150723.db2.gz LUGJEPBALJVKPO-UHFFFAOYSA-N 2 2 312.417 1.170 20 30 DDEDLP COC(=O)C1(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000853673447 704297189 /nfs/dbraw/zinc/29/71/89/704297189.db2.gz FCMQPILJVMAKOS-UHFFFAOYSA-N 2 2 305.378 1.338 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252565 706921011 /nfs/dbraw/zinc/92/10/11/706921011.db2.gz NDTKLBNZQLOMDK-HNNXBMFYSA-N 2 2 309.454 1.119 20 30 DDEDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000883160033 707943693 /nfs/dbraw/zinc/94/36/93/707943693.db2.gz COUJNYBPQDQRHX-KRWDZBQOSA-N 2 2 318.465 1.807 20 30 DDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(-n3cc[nH+]c3)c1)C2 ZINC000884194443 708182008 /nfs/dbraw/zinc/18/20/08/708182008.db2.gz JNPRBKSLYRRVBH-FVRSWCFKSA-N 2 2 321.384 1.950 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806618 711286272 /nfs/dbraw/zinc/28/62/72/711286272.db2.gz YLQWZXHMIDVWMO-LZLYRXPVSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806618 711286274 /nfs/dbraw/zinc/28/62/74/711286274.db2.gz YLQWZXHMIDVWMO-LZLYRXPVSA-N 2 2 315.417 1.501 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894863843 711300992 /nfs/dbraw/zinc/30/09/92/711300992.db2.gz WKMBEXFHXGQQCW-UHFFFAOYSA-N 2 2 313.401 1.999 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894863843 711300995 /nfs/dbraw/zinc/30/09/95/711300995.db2.gz WKMBEXFHXGQQCW-UHFFFAOYSA-N 2 2 313.401 1.999 20 30 DDEDLP C[NH+](C)CC1(O)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000931482030 714108202 /nfs/dbraw/zinc/10/82/02/714108202.db2.gz ZCIMPDNLIKPNHG-UHFFFAOYSA-N 2 2 318.377 1.355 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000923551792 714398354 /nfs/dbraw/zinc/39/83/54/714398354.db2.gz RTCRCFIUIUKJQR-SFHVURJKSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000923551792 714398356 /nfs/dbraw/zinc/39/83/56/714398356.db2.gz RTCRCFIUIUKJQR-SFHVURJKSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000923551792 714398359 /nfs/dbraw/zinc/39/83/59/714398359.db2.gz RTCRCFIUIUKJQR-SFHVURJKSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000923551792 714398361 /nfs/dbraw/zinc/39/83/61/714398361.db2.gz RTCRCFIUIUKJQR-SFHVURJKSA-N 2 2 313.445 1.375 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000925080720 714743620 /nfs/dbraw/zinc/74/36/20/714743620.db2.gz OKKCEBRJDULDRY-CVEARBPZSA-N 2 2 308.470 1.311 20 30 DDEDLP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925645290 714906223 /nfs/dbraw/zinc/90/62/23/714906223.db2.gz PILAMMZILJNJJP-HWOWSKLDSA-N 2 2 316.405 1.221 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000957636006 715978960 /nfs/dbraw/zinc/97/89/60/715978960.db2.gz SBIUDYKPRCJTNW-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960377787 716514411 /nfs/dbraw/zinc/51/44/11/716514411.db2.gz WCSDDGGQXXYMNL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960377787 716514413 /nfs/dbraw/zinc/51/44/13/716514413.db2.gz WCSDDGGQXXYMNL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960377787 716514416 /nfs/dbraw/zinc/51/44/16/716514416.db2.gz WCSDDGGQXXYMNL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960377787 716514418 /nfs/dbraw/zinc/51/44/18/716514418.db2.gz WCSDDGGQXXYMNL-FAHYXWLWSA-N 2 2 300.406 1.526 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961361569 716922694 /nfs/dbraw/zinc/92/26/94/716922694.db2.gz IOAMVIPTURQKAZ-FVQHAEBGSA-N 2 2 308.385 1.718 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000961361569 716922698 /nfs/dbraw/zinc/92/26/98/716922698.db2.gz IOAMVIPTURQKAZ-FVQHAEBGSA-N 2 2 308.385 1.718 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181460 717531802 /nfs/dbraw/zinc/53/18/02/717531802.db2.gz RPTUCTUZVALJND-ZFWWWQNUSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181460 717531809 /nfs/dbraw/zinc/53/18/09/717531809.db2.gz RPTUCTUZVALJND-ZFWWWQNUSA-N 2 2 302.422 1.386 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946858758 718928453 /nfs/dbraw/zinc/92/84/53/718928453.db2.gz DGYJECOQUZXLPQ-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946858758 718928456 /nfs/dbraw/zinc/92/84/56/718928456.db2.gz DGYJECOQUZXLPQ-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968057923 719406134 /nfs/dbraw/zinc/40/61/34/719406134.db2.gz MPPGVPRTCRRPSQ-HIFRSBDPSA-N 2 2 305.422 1.967 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968057923 719406135 /nfs/dbraw/zinc/40/61/35/719406135.db2.gz MPPGVPRTCRRPSQ-HIFRSBDPSA-N 2 2 305.422 1.967 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914631 719864858 /nfs/dbraw/zinc/86/48/58/719864858.db2.gz YBQDUFUIJUNSHB-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914631 719864864 /nfs/dbraw/zinc/86/48/64/719864864.db2.gz YBQDUFUIJUNSHB-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926005 719877609 /nfs/dbraw/zinc/87/76/09/719877609.db2.gz RXSYAQZWAPKRCZ-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968926005 719877618 /nfs/dbraw/zinc/87/76/18/719877618.db2.gz RXSYAQZWAPKRCZ-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970002374 720594169 /nfs/dbraw/zinc/59/41/69/720594169.db2.gz WGJPLJAJGPITFX-OCCSQVGLSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970002374 720594172 /nfs/dbraw/zinc/59/41/72/720594172.db2.gz WGJPLJAJGPITFX-OCCSQVGLSA-N 2 2 316.449 1.836 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000951758794 721169186 /nfs/dbraw/zinc/16/91/86/721169186.db2.gz ZYWVPLKJCWTQJL-OAHLLOKOSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712624 733474863 /nfs/dbraw/zinc/47/48/63/733474863.db2.gz KFBAWJJAUJXMJA-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712624 733474864 /nfs/dbraw/zinc/47/48/64/733474864.db2.gz KFBAWJJAUJXMJA-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167529080 734664416 /nfs/dbraw/zinc/66/44/16/734664416.db2.gz YPSFIFIUQQQQOH-UHFFFAOYSA-N 2 2 306.410 1.031 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001027940694 738841986 /nfs/dbraw/zinc/84/19/86/738841986.db2.gz QZVDCXSVHWMNFL-ZRJDUIELSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001027940694 738841991 /nfs/dbraw/zinc/84/19/91/738841991.db2.gz QZVDCXSVHWMNFL-ZRJDUIELSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C/C=C/Cl ZINC001027940694 738841994 /nfs/dbraw/zinc/84/19/94/738841994.db2.gz QZVDCXSVHWMNFL-ZRJDUIELSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C/C=C/Cl ZINC001027940694 738842000 /nfs/dbraw/zinc/84/20/00/738842000.db2.gz QZVDCXSVHWMNFL-ZRJDUIELSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734071 735000270 /nfs/dbraw/zinc/00/02/70/735000270.db2.gz KEIFGJSGNNSXGD-ZWKOTPCHSA-N 2 2 322.412 1.491 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448966 735241081 /nfs/dbraw/zinc/24/10/81/735241081.db2.gz CQHKYOFDYKSHCU-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448966 735241085 /nfs/dbraw/zinc/24/10/85/735241085.db2.gz CQHKYOFDYKSHCU-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272477 736400956 /nfs/dbraw/zinc/40/09/56/736400956.db2.gz MCZIUGGKEWLFGG-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272477 736400958 /nfs/dbraw/zinc/40/09/58/736400958.db2.gz MCZIUGGKEWLFGG-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729304 736682321 /nfs/dbraw/zinc/68/23/21/736682321.db2.gz RGMWDSCLRKBWMK-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699326 736748960 /nfs/dbraw/zinc/74/89/60/736748960.db2.gz MRJHMWFMMGFXBU-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699326 736748964 /nfs/dbraw/zinc/74/89/64/736748964.db2.gz MRJHMWFMMGFXBU-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699326 736748968 /nfs/dbraw/zinc/74/89/68/736748968.db2.gz MRJHMWFMMGFXBU-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699326 736748970 /nfs/dbraw/zinc/74/89/70/736748970.db2.gz MRJHMWFMMGFXBU-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104912451 737365877 /nfs/dbraw/zinc/36/58/77/737365877.db2.gz UMOFJTHFAFDVHF-HUUCEWRRSA-N 2 2 316.449 1.785 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966951 737420585 /nfs/dbraw/zinc/42/05/85/737420585.db2.gz KPVQJNWYVXBJES-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469576 738324095 /nfs/dbraw/zinc/32/40/95/738324095.db2.gz FZMDPDVBPSDRMF-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469576 738324098 /nfs/dbraw/zinc/32/40/98/738324098.db2.gz FZMDPDVBPSDRMF-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977672 738899014 /nfs/dbraw/zinc/89/90/14/738899014.db2.gz WMQPJAPBMANNLX-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977672 738899017 /nfs/dbraw/zinc/89/90/17/738899017.db2.gz WMQPJAPBMANNLX-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267986 739256781 /nfs/dbraw/zinc/25/67/81/739256781.db2.gz QOWLTHSODSTTMG-CQSZACIVSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267986 739256783 /nfs/dbraw/zinc/25/67/83/739256783.db2.gz QOWLTHSODSTTMG-CQSZACIVSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267985 739256796 /nfs/dbraw/zinc/25/67/96/739256796.db2.gz QOWLTHSODSTTMG-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267985 739256799 /nfs/dbraw/zinc/25/67/99/739256799.db2.gz QOWLTHSODSTTMG-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028606682 739786374 /nfs/dbraw/zinc/78/63/74/739786374.db2.gz XJOHUDCFPKOHEN-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028606682 739786376 /nfs/dbraw/zinc/78/63/76/739786376.db2.gz XJOHUDCFPKOHEN-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028606682 739786379 /nfs/dbraw/zinc/78/63/79/739786379.db2.gz XJOHUDCFPKOHEN-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028606682 739786381 /nfs/dbraw/zinc/78/63/81/739786381.db2.gz XJOHUDCFPKOHEN-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628601 740683036 /nfs/dbraw/zinc/68/30/36/740683036.db2.gz CIPLXHBLNCZCOF-VNQPRFMTSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628601 740683039 /nfs/dbraw/zinc/68/30/39/740683039.db2.gz CIPLXHBLNCZCOF-VNQPRFMTSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631398 740684111 /nfs/dbraw/zinc/68/41/11/740684111.db2.gz YJVDBXABTGBPBG-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631398 740684113 /nfs/dbraw/zinc/68/41/13/740684113.db2.gz YJVDBXABTGBPBG-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720468 740720167 /nfs/dbraw/zinc/72/01/67/740720167.db2.gz WCVHZNRSXFLUBJ-OFQRWUPVSA-N 2 2 314.433 1.822 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720468 740720170 /nfs/dbraw/zinc/72/01/70/740720170.db2.gz WCVHZNRSXFLUBJ-OFQRWUPVSA-N 2 2 314.433 1.822 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121131 741044033 /nfs/dbraw/zinc/04/40/33/741044033.db2.gz PSWDLXSYJMKDML-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121131 741044034 /nfs/dbraw/zinc/04/40/34/741044034.db2.gz PSWDLXSYJMKDML-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035534645 751615970 /nfs/dbraw/zinc/61/59/70/751615970.db2.gz VUWYFMASWMLUFV-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035534645 751615976 /nfs/dbraw/zinc/61/59/76/751615976.db2.gz VUWYFMASWMLUFV-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534645 751615977 /nfs/dbraw/zinc/61/59/77/751615977.db2.gz VUWYFMASWMLUFV-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534645 751615981 /nfs/dbraw/zinc/61/59/81/751615981.db2.gz VUWYFMASWMLUFV-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337502 741410300 /nfs/dbraw/zinc/41/03/00/741410300.db2.gz HGXYYPQDSHINRS-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628579 751724601 /nfs/dbraw/zinc/72/46/01/751724601.db2.gz HVGWNELAFDDDPZ-MPGHIAIKSA-N 2 2 321.440 1.507 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628579 751724607 /nfs/dbraw/zinc/72/46/07/751724607.db2.gz HVGWNELAFDDDPZ-MPGHIAIKSA-N 2 2 321.440 1.507 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628579 751724613 /nfs/dbraw/zinc/72/46/13/751724613.db2.gz HVGWNELAFDDDPZ-MPGHIAIKSA-N 2 2 321.440 1.507 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228645 742610809 /nfs/dbraw/zinc/61/08/09/742610809.db2.gz FRBAWSQFBXVSTR-SQWLQELKSA-N 2 2 312.417 1.386 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228645 742610812 /nfs/dbraw/zinc/61/08/12/742610812.db2.gz FRBAWSQFBXVSTR-SQWLQELKSA-N 2 2 312.417 1.386 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228909 742611170 /nfs/dbraw/zinc/61/11/70/742611170.db2.gz PFDUVWXHZXIGQB-GZBFAFLISA-N 2 2 300.406 1.548 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228909 742611175 /nfs/dbraw/zinc/61/11/75/742611175.db2.gz PFDUVWXHZXIGQB-GZBFAFLISA-N 2 2 300.406 1.548 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001181137512 743078374 /nfs/dbraw/zinc/07/83/74/743078374.db2.gz GLRUHIAPGCLGFU-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)CC[N@H+](C)Cc2ccccc2)CC1 ZINC001181137512 743078379 /nfs/dbraw/zinc/07/83/79/743078379.db2.gz GLRUHIAPGCLGFU-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001108043415 743112341 /nfs/dbraw/zinc/11/23/41/743112341.db2.gz KGBOLFBNERKJRB-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001108043415 743112346 /nfs/dbraw/zinc/11/23/46/743112346.db2.gz KGBOLFBNERKJRB-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043415 743112353 /nfs/dbraw/zinc/11/23/53/743112353.db2.gz KGBOLFBNERKJRB-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043415 743112355 /nfs/dbraw/zinc/11/23/55/743112355.db2.gz KGBOLFBNERKJRB-WMZOPIPTSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952343 743407843 /nfs/dbraw/zinc/40/78/43/743407843.db2.gz VBBGSGYSYHIUGZ-IIDMSEBBSA-N 2 2 314.433 1.153 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035739303 751833610 /nfs/dbraw/zinc/83/36/10/751833610.db2.gz JBKJULJDXVQCEC-UHFFFAOYSA-N 2 2 318.421 1.460 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001002875725 743533221 /nfs/dbraw/zinc/53/32/21/743533221.db2.gz QKIPWVSFVLBCAH-UHFFFAOYSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182863959 743740210 /nfs/dbraw/zinc/74/02/10/743740210.db2.gz SGSFABLSHWPFJI-IIDMSEBBSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182863959 743740213 /nfs/dbraw/zinc/74/02/13/743740213.db2.gz SGSFABLSHWPFJI-IIDMSEBBSA-N 2 2 316.449 1.686 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184901842 744123232 /nfs/dbraw/zinc/12/32/32/744123232.db2.gz FQENKUDTFKJPRA-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035835952 751932444 /nfs/dbraw/zinc/93/24/44/751932444.db2.gz XKAWXQGGIAWWEP-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC000992762495 745183340 /nfs/dbraw/zinc/18/33/40/745183340.db2.gz ZXKDFAYPMKZAPU-BZUAXINKSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992882195 745266123 /nfs/dbraw/zinc/26/61/23/745266123.db2.gz YMWNOMMYGMXALC-QLFBSQMISA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425383 745779436 /nfs/dbraw/zinc/77/94/36/745779436.db2.gz GIGXHVCDQXNPCV-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425383 745779439 /nfs/dbraw/zinc/77/94/39/745779439.db2.gz GIGXHVCDQXNPCV-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192578204 745830084 /nfs/dbraw/zinc/83/00/84/745830084.db2.gz MUTVNJKGFYYEGT-CVEARBPZSA-N 2 2 320.437 1.570 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192578204 745830092 /nfs/dbraw/zinc/83/00/92/745830092.db2.gz MUTVNJKGFYYEGT-CVEARBPZSA-N 2 2 320.437 1.570 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315014 746334090 /nfs/dbraw/zinc/33/40/90/746334090.db2.gz MSLYNTDWHJWCOU-IAGOWNOFSA-N 2 2 314.433 1.240 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315014 746334096 /nfs/dbraw/zinc/33/40/96/746334096.db2.gz MSLYNTDWHJWCOU-IAGOWNOFSA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198615851 747549014 /nfs/dbraw/zinc/54/90/14/747549014.db2.gz CHONWSHRZVKEBK-HOTGVXAUSA-N 2 2 315.417 1.170 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198615851 747549019 /nfs/dbraw/zinc/54/90/19/747549019.db2.gz CHONWSHRZVKEBK-HOTGVXAUSA-N 2 2 315.417 1.170 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003956083 747801280 /nfs/dbraw/zinc/80/12/80/747801280.db2.gz QXYFDIAVGDPZDV-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802461 747897839 /nfs/dbraw/zinc/89/78/39/747897839.db2.gz RFAVZHHGBOKHRH-OAHLLOKOSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802461 747897846 /nfs/dbraw/zinc/89/78/46/747897846.db2.gz RFAVZHHGBOKHRH-OAHLLOKOSA-N 2 2 313.873 1.907 20 30 DDEDLP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C1CC1 ZINC001004456311 748448416 /nfs/dbraw/zinc/44/84/16/748448416.db2.gz DJQVLGMCECXBRA-IRXDYDNUSA-N 2 2 318.465 1.553 20 30 DDEDLP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C1CC1 ZINC001004456311 748448418 /nfs/dbraw/zinc/44/84/18/748448418.db2.gz DJQVLGMCECXBRA-IRXDYDNUSA-N 2 2 318.465 1.553 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871153 748508770 /nfs/dbraw/zinc/50/87/70/748508770.db2.gz XRQFYQQSZOLKLB-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871153 748508776 /nfs/dbraw/zinc/50/87/76/748508776.db2.gz XRQFYQQSZOLKLB-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603847 748581886 /nfs/dbraw/zinc/58/18/86/748581886.db2.gz JCEGNNOGNUDMQV-MRXNPFEDSA-N 2 2 316.449 1.309 20 30 DDEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603847 748581890 /nfs/dbraw/zinc/58/18/90/748581890.db2.gz JCEGNNOGNUDMQV-MRXNPFEDSA-N 2 2 316.449 1.309 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007706468 752285583 /nfs/dbraw/zinc/28/55/83/752285583.db2.gz QPIBJTTZFLLMBI-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007706468 752285591 /nfs/dbraw/zinc/28/55/91/752285591.db2.gz QPIBJTTZFLLMBI-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706336 752286685 /nfs/dbraw/zinc/28/66/85/752286685.db2.gz PLMSYJVMOUUEMW-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706336 752286693 /nfs/dbraw/zinc/28/66/93/752286693.db2.gz PLMSYJVMOUUEMW-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206816 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FVDAIOJZPVOXAO-GDBMZVCRSA-N 2 2 322.840 1.996 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654101 750305670 /nfs/dbraw/zinc/30/56/70/750305670.db2.gz FVDAIOJZPVOXAO-GDBMZVCRSA-N 2 2 322.840 1.996 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997172278 750644937 /nfs/dbraw/zinc/64/49/37/750644937.db2.gz GYDPYEPKUXABOO-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997185716 750678661 /nfs/dbraw/zinc/67/86/61/750678661.db2.gz IUMWYVRVTFXBDO-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005606749 750695930 /nfs/dbraw/zinc/69/59/30/750695930.db2.gz PXBHUQBFPPLRKP-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685779 762091510 /nfs/dbraw/zinc/09/15/10/762091510.db2.gz BJOISSJLSBOZRD-INIZCTEOSA-N 2 2 323.868 1.829 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685779 762091517 /nfs/dbraw/zinc/09/15/17/762091517.db2.gz BJOISSJLSBOZRD-INIZCTEOSA-N 2 2 323.868 1.829 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108420970 762127294 /nfs/dbraw/zinc/12/72/94/762127294.db2.gz DRAQRZLZQVLBPK-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108420970 762127299 /nfs/dbraw/zinc/12/72/99/762127299.db2.gz DRAQRZLZQVLBPK-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108420970 762127304 /nfs/dbraw/zinc/12/73/04/762127304.db2.gz DRAQRZLZQVLBPK-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108420970 762127309 /nfs/dbraw/zinc/12/73/09/762127309.db2.gz DRAQRZLZQVLBPK-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007953642 752461113 /nfs/dbraw/zinc/46/11/13/752461113.db2.gz PJEQFTJOLDTRTD-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007953642 752461117 /nfs/dbraw/zinc/46/11/17/752461117.db2.gz PJEQFTJOLDTRTD-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007964075 752466997 /nfs/dbraw/zinc/46/69/97/752466997.db2.gz VIUHOXYSWZTSMY-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007964075 752467003 /nfs/dbraw/zinc/46/70/03/752467003.db2.gz VIUHOXYSWZTSMY-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993535 753356931 /nfs/dbraw/zinc/35/69/31/753356931.db2.gz SFYRFWRGEBOVIZ-FUHWJXTLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993535 753356939 /nfs/dbraw/zinc/35/69/39/753356939.db2.gz SFYRFWRGEBOVIZ-FUHWJXTLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993535 753356942 /nfs/dbraw/zinc/35/69/42/753356942.db2.gz SFYRFWRGEBOVIZ-FUHWJXTLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993535 753356949 /nfs/dbraw/zinc/35/69/49/753356949.db2.gz SFYRFWRGEBOVIZ-FUHWJXTLSA-N 2 2 323.481 1.642 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036703072 753499652 /nfs/dbraw/zinc/49/96/52/753499652.db2.gz WKUAHUHZHACQKJ-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036703072 753499655 /nfs/dbraw/zinc/49/96/55/753499655.db2.gz WKUAHUHZHACQKJ-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001108023495 753571131 /nfs/dbraw/zinc/57/11/31/753571131.db2.gz CMUUFRLLQZVRCM-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108023495 753571134 /nfs/dbraw/zinc/57/11/34/753571134.db2.gz CMUUFRLLQZVRCM-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108023495 753571139 /nfs/dbraw/zinc/57/11/39/753571139.db2.gz CMUUFRLLQZVRCM-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108023495 753571143 /nfs/dbraw/zinc/57/11/43/753571143.db2.gz CMUUFRLLQZVRCM-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014779851 755937403 /nfs/dbraw/zinc/93/74/03/755937403.db2.gz OGSKSYZWQUDIIQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014779851 755937407 /nfs/dbraw/zinc/93/74/07/755937407.db2.gz OGSKSYZWQUDIIQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014779851 755937411 /nfs/dbraw/zinc/93/74/11/755937411.db2.gz OGSKSYZWQUDIIQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014779851 755937413 /nfs/dbraw/zinc/93/74/13/755937413.db2.gz OGSKSYZWQUDIIQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014779865 755937484 /nfs/dbraw/zinc/93/74/84/755937484.db2.gz OTQDBGKZADLHSQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014779865 755937488 /nfs/dbraw/zinc/93/74/88/755937488.db2.gz OTQDBGKZADLHSQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014779865 755937493 /nfs/dbraw/zinc/93/74/93/755937493.db2.gz OTQDBGKZADLHSQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014779865 755937497 /nfs/dbraw/zinc/93/74/97/755937497.db2.gz OTQDBGKZADLHSQ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015939094 756664147 /nfs/dbraw/zinc/66/41/47/756664147.db2.gz UHBXGWJAQPUMIN-MRXNPFEDSA-N 2 2 308.385 1.700 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015939094 756664148 /nfs/dbraw/zinc/66/41/48/756664148.db2.gz UHBXGWJAQPUMIN-MRXNPFEDSA-N 2 2 308.385 1.700 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082603931 756863034 /nfs/dbraw/zinc/86/30/34/756863034.db2.gz VJGYHKRMTDAKGV-KWCYVHTRSA-N 2 2 322.840 1.635 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001082604956 756864666 /nfs/dbraw/zinc/86/46/66/756864666.db2.gz LJWWCOSWJAKXJJ-PVXIVEMSSA-N 2 2 302.422 1.446 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082604956 756864669 /nfs/dbraw/zinc/86/46/69/756864669.db2.gz LJWWCOSWJAKXJJ-PVXIVEMSSA-N 2 2 302.422 1.446 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001082732603 756908145 /nfs/dbraw/zinc/90/81/45/756908145.db2.gz MVMYCTZERMQEBT-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001084418067 757539652 /nfs/dbraw/zinc/53/96/52/757539652.db2.gz SXASUWQFLISFES-FGTMMUONSA-N 2 2 315.461 1.583 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001084418067 757539653 /nfs/dbraw/zinc/53/96/53/757539653.db2.gz SXASUWQFLISFES-FGTMMUONSA-N 2 2 315.461 1.583 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084418067 757539657 /nfs/dbraw/zinc/53/96/57/757539657.db2.gz SXASUWQFLISFES-FGTMMUONSA-N 2 2 315.461 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084418067 757539661 /nfs/dbraw/zinc/53/96/61/757539661.db2.gz SXASUWQFLISFES-FGTMMUONSA-N 2 2 315.461 1.583 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029215 758165500 /nfs/dbraw/zinc/16/55/00/758165500.db2.gz RMRNUZRPXZDGPN-FMKPAKJESA-N 2 2 314.433 1.938 20 30 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C=CC[NH2+]C1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001091037328 772466919 /nfs/dbraw/zinc/46/69/19/772466919.db2.gz JEHMFVCJFYSCHN-SEEARECTSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001091037328 772466920 /nfs/dbraw/zinc/46/69/20/772466920.db2.gz JEHMFVCJFYSCHN-SEEARECTSA-N 2 2 317.437 1.460 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785187 774610848 /nfs/dbraw/zinc/61/08/48/774610848.db2.gz AZDPNLUYBSMNRT-CABCVRRESA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785187 774610851 /nfs/dbraw/zinc/61/08/51/774610851.db2.gz AZDPNLUYBSMNRT-CABCVRRESA-N 2 2 322.840 1.949 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001098909765 774715677 /nfs/dbraw/zinc/71/56/77/774715677.db2.gz ANMRAEYKEHWSNE-VKJFTORMSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001098909765 774715682 /nfs/dbraw/zinc/71/56/82/774715682.db2.gz ANMRAEYKEHWSNE-VKJFTORMSA-N 2 2 314.433 1.602 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829730 774826963 /nfs/dbraw/zinc/82/69/63/774826963.db2.gz KHYZBUXPTGXQLQ-TZMCWYRMSA-N 2 2 308.813 1.628 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829730 774826971 /nfs/dbraw/zinc/82/69/71/774826971.db2.gz KHYZBUXPTGXQLQ-TZMCWYRMSA-N 2 2 308.813 1.628 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867062 775017805 /nfs/dbraw/zinc/01/78/05/775017805.db2.gz OMJIZYWCXJQEAU-ZFWWWQNUSA-N 2 2 322.840 1.638 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867062 775017814 /nfs/dbraw/zinc/01/78/14/775017814.db2.gz OMJIZYWCXJQEAU-ZFWWWQNUSA-N 2 2 322.840 1.638 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171605102 776367688 /nfs/dbraw/zinc/36/76/88/776367688.db2.gz MVMIZRQWGYIVTB-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686259 776438072 /nfs/dbraw/zinc/43/80/72/776438072.db2.gz BIKAUBHFUUYGHG-NEXFUWMNSA-N 2 2 302.422 1.584 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039508 776848669 /nfs/dbraw/zinc/84/86/69/776848669.db2.gz OTSMFAXXQUNGRY-AVVWSFFYSA-N 2 2 302.422 1.355 20 30 DDEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598386 777289097 /nfs/dbraw/zinc/28/90/97/777289097.db2.gz KDPOSTIMFWZIRB-UHFFFAOYSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881060 777940352 /nfs/dbraw/zinc/94/03/52/777940352.db2.gz ISBJBPLBOLGFHM-CQSZACIVSA-N 2 2 308.426 1.419 20 30 DDEDLP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176165130 778075432 /nfs/dbraw/zinc/07/54/32/778075432.db2.gz IGEPAYGRIWPBJF-ZDUSSCGKSA-N 2 2 312.845 1.980 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]21 ZINC001177043272 778406533 /nfs/dbraw/zinc/40/65/33/778406533.db2.gz WBQGJFPHCLZVIM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]21 ZINC001177043272 778406536 /nfs/dbraw/zinc/40/65/36/778406536.db2.gz WBQGJFPHCLZVIM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177043272 778406540 /nfs/dbraw/zinc/40/65/40/778406540.db2.gz WBQGJFPHCLZVIM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177043272 778406542 /nfs/dbraw/zinc/40/65/42/778406542.db2.gz WBQGJFPHCLZVIM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001177400365 778577895 /nfs/dbraw/zinc/57/78/95/778577895.db2.gz GWYKAIIHURWITF-UHFFFAOYSA-N 2 2 314.364 1.170 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644728 778978494 /nfs/dbraw/zinc/97/84/94/778978494.db2.gz NYROKHUMYMDSRI-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644728 778978501 /nfs/dbraw/zinc/97/85/01/778978501.db2.gz NYROKHUMYMDSRI-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178810394 779181175 /nfs/dbraw/zinc/18/11/75/779181175.db2.gz DXQYDPFEKBJBPR-UHFFFAOYSA-N 2 2 317.433 1.922 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178977744 779231086 /nfs/dbraw/zinc/23/10/86/779231086.db2.gz DIICJJRZMWQQDF-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825320 779499735 /nfs/dbraw/zinc/49/97/35/779499735.db2.gz ZFIPGJXBYRTTKL-HOCLYGCPSA-N 2 2 322.840 1.996 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825320 779499736 /nfs/dbraw/zinc/49/97/36/779499736.db2.gz ZFIPGJXBYRTTKL-HOCLYGCPSA-N 2 2 322.840 1.996 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCOC3)cc2F)CC1 ZINC001119071042 781312762 /nfs/dbraw/zinc/31/27/62/781312762.db2.gz VPWKLSSNGRWBMN-CQSZACIVSA-N 2 2 306.385 1.290 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766998 836800367 /nfs/dbraw/zinc/80/03/67/836800367.db2.gz KSFAEANVYCUYRK-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766998 836800380 /nfs/dbraw/zinc/80/03/80/836800380.db2.gz KSFAEANVYCUYRK-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267094629 837330757 /nfs/dbraw/zinc/33/07/57/837330757.db2.gz VFLZFOHHFPCWBQ-GJZGRUSLSA-N 2 2 304.438 1.946 20 30 DDEDLP C=CCCC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001267845002 839070568 /nfs/dbraw/zinc/07/05/68/839070568.db2.gz PQEMNFQHVZUUJF-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001268776570 840783587 /nfs/dbraw/zinc/78/35/87/840783587.db2.gz PRMSIYJBZFHRHX-HOCLYGCPSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272223056 844769296 /nfs/dbraw/zinc/76/92/96/844769296.db2.gz CHGHMXABCIYMEV-ZBFHGGJFSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272223056 844769307 /nfs/dbraw/zinc/76/93/07/844769307.db2.gz CHGHMXABCIYMEV-ZBFHGGJFSA-N 2 2 318.421 1.078 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001272651021 846465690 /nfs/dbraw/zinc/46/56/90/846465690.db2.gz BJDYPBNYBQRHBP-MRXNPFEDSA-N 2 2 302.422 1.515 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252392 848192666 /nfs/dbraw/zinc/19/26/66/848192666.db2.gz OWQQKAROOSKYOA-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252392 848192673 /nfs/dbraw/zinc/19/26/73/848192673.db2.gz OWQQKAROOSKYOA-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252392 848192677 /nfs/dbraw/zinc/19/26/77/848192677.db2.gz OWQQKAROOSKYOA-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252392 848192684 /nfs/dbraw/zinc/19/26/84/848192684.db2.gz OWQQKAROOSKYOA-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401919 848468279 /nfs/dbraw/zinc/46/82/79/848468279.db2.gz WXNRZOYAJNYCKZ-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034402892 848472064 /nfs/dbraw/zinc/47/20/64/848472064.db2.gz WVRSEENCXLMOHQ-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034402892 848472070 /nfs/dbraw/zinc/47/20/70/848472070.db2.gz WVRSEENCXLMOHQ-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](CCCC#N)CC2)C1=O ZINC001274040473 851876310 /nfs/dbraw/zinc/87/63/10/851876310.db2.gz PKTXZNAPXQSPLK-UHFFFAOYSA-N 2 2 315.421 1.538 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001274577615 852411767 /nfs/dbraw/zinc/41/17/67/852411767.db2.gz BNTMZALLEDMVRN-PLNGDYQASA-N 2 2 323.400 1.525 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001328426830 862968699 /nfs/dbraw/zinc/96/86/99/862968699.db2.gz HMTHQNKGGHAXKP-HNNXBMFYSA-N 2 2 312.417 1.693 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001329257047 863565493 /nfs/dbraw/zinc/56/54/93/863565493.db2.gz VELVQDSEBNOWSO-UHFFFAOYSA-N 2 2 302.422 1.345 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]CCCCn2cc[nH+]c2)CCOCC1 ZINC001329596635 863744377 /nfs/dbraw/zinc/74/43/77/863744377.db2.gz PLTJHTPOQPBCAE-HNNXBMFYSA-N 2 2 306.410 1.324 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001153495813 863912131 /nfs/dbraw/zinc/91/21/31/863912131.db2.gz OMIZKJITHFARFY-UHFFFAOYSA-N 2 2 316.792 1.294 20 30 DDEDLP N#CCCN(Cc1cccnc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157731449 864085729 /nfs/dbraw/zinc/08/57/29/864085729.db2.gz YJTLRNGDMMTPCM-QGZVFWFLSA-N 2 2 323.400 1.596 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330310977 864230118 /nfs/dbraw/zinc/23/01/18/864230118.db2.gz XTBUEQKNOLWADQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330310977 864230131 /nfs/dbraw/zinc/23/01/31/864230131.db2.gz XTBUEQKNOLWADQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001330310977 864230148 /nfs/dbraw/zinc/23/01/48/864230148.db2.gz XTBUEQKNOLWADQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001330310977 864230163 /nfs/dbraw/zinc/23/01/63/864230163.db2.gz XTBUEQKNOLWADQ-QCODTGAPSA-N 2 2 314.433 1.773 20 30 DDEDLP C[Si](C)(C)C#Cc1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206215 864488813 /nfs/dbraw/zinc/48/88/13/864488813.db2.gz DHYNGLMZVXMCNO-CQSZACIVSA-N 2 2 314.465 1.358 20 30 DDEDLP N#Cc1cc(Cl)nnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258967 864520765 /nfs/dbraw/zinc/52/07/65/864520765.db2.gz MYOHHCJZVKFTRV-LLVKDONJSA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1cc(Cl)nnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258967 864520766 /nfs/dbraw/zinc/52/07/66/864520766.db2.gz MYOHHCJZVKFTRV-LLVKDONJSA-N 2 2 306.801 1.003 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331333157 865016465 /nfs/dbraw/zinc/01/64/65/865016465.db2.gz KUGBYKWXDGVMPP-CJNGLKHVSA-N 2 2 302.422 1.438 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331333157 865016468 /nfs/dbraw/zinc/01/64/68/865016468.db2.gz KUGBYKWXDGVMPP-CJNGLKHVSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530139 865915814 /nfs/dbraw/zinc/91/58/14/865915814.db2.gz WWWPWNJXOLKQFH-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530139 865915822 /nfs/dbraw/zinc/91/58/22/865915822.db2.gz WWWPWNJXOLKQFH-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001323317312 866525262 /nfs/dbraw/zinc/52/52/62/866525262.db2.gz FOXBBXYTKDGMRX-INIZCTEOSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001323317312 866525275 /nfs/dbraw/zinc/52/52/75/866525275.db2.gz FOXBBXYTKDGMRX-INIZCTEOSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323384 866532151 /nfs/dbraw/zinc/53/21/51/866532151.db2.gz KCRXFFICGQCAGK-AWEZNQCLSA-N 2 2 304.438 1.885 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323384 866532167 /nfs/dbraw/zinc/53/21/67/866532167.db2.gz KCRXFFICGQCAGK-AWEZNQCLSA-N 2 2 304.438 1.885 20 30 DDEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946406 867934908 /nfs/dbraw/zinc/93/49/08/867934908.db2.gz HOXRDNQNOGQNLV-UHFFFAOYSA-N 2 2 312.417 1.799 20 30 DDEDLP C#CCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001335498271 868341950 /nfs/dbraw/zinc/34/19/50/868341950.db2.gz DCBWERYQLLKHRV-LJQANCHMSA-N 2 2 324.428 1.243 20 30 DDEDLP C#CCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001335498271 868341972 /nfs/dbraw/zinc/34/19/72/868341972.db2.gz DCBWERYQLLKHRV-LJQANCHMSA-N 2 2 324.428 1.243 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711105 869689569 /nfs/dbraw/zinc/68/95/69/869689569.db2.gz FCXVCXDVJNKIIT-UHFFFAOYSA-N 2 2 315.417 1.532 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317379426 870738679 /nfs/dbraw/zinc/73/86/79/870738679.db2.gz WPTMYRUBLNXFPG-INIZCTEOSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317379426 870738685 /nfs/dbraw/zinc/73/86/85/870738685.db2.gz WPTMYRUBLNXFPG-INIZCTEOSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341382875 871632345 /nfs/dbraw/zinc/63/23/45/871632345.db2.gz KLCPQMBFGVUAOW-SJORKVTESA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341382875 871632353 /nfs/dbraw/zinc/63/23/53/871632353.db2.gz KLCPQMBFGVUAOW-SJORKVTESA-N 3 2 322.497 1.297 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238098 872154682 /nfs/dbraw/zinc/15/46/82/872154682.db2.gz GGVCNJVOVOKHKW-CQSZACIVSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001318760610 872254486 /nfs/dbraw/zinc/25/44/86/872254486.db2.gz SPRPAOQWWAHZSF-RDJZCZTQSA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001318894766 872332345 /nfs/dbraw/zinc/33/23/45/872332345.db2.gz BHMUFHWICRDYDM-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001318894766 872332363 /nfs/dbraw/zinc/33/23/63/872332363.db2.gz BHMUFHWICRDYDM-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761742 873541335 /nfs/dbraw/zinc/54/13/35/873541335.db2.gz OAGMUYQOVSBTAE-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761742 873541337 /nfs/dbraw/zinc/54/13/37/873541337.db2.gz OAGMUYQOVSBTAE-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411302 874120433 /nfs/dbraw/zinc/12/04/33/874120433.db2.gz QVIATFBHACCMCH-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447099 874147887 /nfs/dbraw/zinc/14/78/87/874147887.db2.gz HTQGRTSJOOAOET-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447826 874148671 /nfs/dbraw/zinc/14/86/71/874148671.db2.gz QZFDYOZWKPEORQ-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218499339 877504299 /nfs/dbraw/zinc/50/42/99/877504299.db2.gz RVKJSCHDWLGMMF-AWEZNQCLSA-N 2 2 305.341 1.714 20 30 DDEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218558822 877569670 /nfs/dbraw/zinc/56/96/70/877569670.db2.gz BTTKCHIEZOUYIB-HSMVNMDESA-N 2 2 301.394 1.275 20 30 DDEDLP C[C@@H](C#N)c1ccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218871740 877777886 /nfs/dbraw/zinc/77/78/86/877777886.db2.gz QZEZAVKEZJZWNP-LRDDRELGSA-N 2 2 315.421 1.003 20 30 DDEDLP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219310951 878109159 /nfs/dbraw/zinc/10/91/59/878109159.db2.gz PYKCBEPJSVQLFE-GJZGRUSLSA-N 2 2 301.466 1.401 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001219988429 878637481 /nfs/dbraw/zinc/63/74/81/878637481.db2.gz WNBDYQJMDKZGEB-HNNXBMFYSA-N 2 2 311.389 1.213 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230170852 884359493 /nfs/dbraw/zinc/35/94/93/884359493.db2.gz LNSFWFWNPHWZTG-UHFFFAOYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277883323 888191034 /nfs/dbraw/zinc/19/10/34/888191034.db2.gz FVGBTKSHFJHIFD-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001365999803 892174620 /nfs/dbraw/zinc/17/46/20/892174620.db2.gz QNTWHBIVJGOYJS-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001365999803 892174628 /nfs/dbraw/zinc/17/46/28/892174628.db2.gz QNTWHBIVJGOYJS-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001365999803 892174635 /nfs/dbraw/zinc/17/46/35/892174635.db2.gz QNTWHBIVJGOYJS-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001365999803 892174647 /nfs/dbraw/zinc/17/46/47/892174647.db2.gz QNTWHBIVJGOYJS-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C=CCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246006433 892324444 /nfs/dbraw/zinc/32/44/44/892324444.db2.gz HWWUCUUMPBCVOJ-IRXDYDNUSA-N 2 2 320.433 1.754 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001252950224 895574475 /nfs/dbraw/zinc/57/44/75/895574475.db2.gz GRKZTWGGPPMJJJ-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001252950224 895574485 /nfs/dbraw/zinc/57/44/85/895574485.db2.gz GRKZTWGGPPMJJJ-LJQANCHMSA-N 2 2 322.412 1.680 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001278704958 895742027 /nfs/dbraw/zinc/74/20/27/895742027.db2.gz UUTKBVLMJYCURB-NEPJUHHUSA-N 2 2 316.327 1.296 20 30 DDEDLP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041357 901475583 /nfs/dbraw/zinc/47/55/83/901475583.db2.gz VZHMWNHALXKRFB-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041357 901475588 /nfs/dbraw/zinc/47/55/88/901475588.db2.gz VZHMWNHALXKRFB-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001265812911 902428243 /nfs/dbraw/zinc/42/82/43/902428243.db2.gz GWTYPTJIFYUOFK-NVXWUHKLSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001265812911 902428248 /nfs/dbraw/zinc/42/82/48/902428248.db2.gz GWTYPTJIFYUOFK-NVXWUHKLSA-N 2 2 323.481 1.690 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265986234 902711303 /nfs/dbraw/zinc/71/13/03/902711303.db2.gz AREYBGWJQQFMKT-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265986234 902711313 /nfs/dbraw/zinc/71/13/13/902711313.db2.gz AREYBGWJQQFMKT-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001391921554 902909187 /nfs/dbraw/zinc/90/91/87/902909187.db2.gz NUZQWKQXZRZNGO-DGCLKSJQSA-N 2 2 310.829 1.540 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225511 903147329 /nfs/dbraw/zinc/14/73/29/903147329.db2.gz OUNMTRIZTWFUAO-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225511 903147335 /nfs/dbraw/zinc/14/73/35/903147335.db2.gz OUNMTRIZTWFUAO-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001279204290 903192694 /nfs/dbraw/zinc/19/26/94/903192694.db2.gz LCDNTOJWZWCTHR-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001281782391 905216086 /nfs/dbraw/zinc/21/60/86/905216086.db2.gz HBOKDKSQIPPYEJ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP CC#CC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001281782391 905216102 /nfs/dbraw/zinc/21/61/02/905216102.db2.gz HBOKDKSQIPPYEJ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001281782391 905216121 /nfs/dbraw/zinc/21/61/21/905216121.db2.gz HBOKDKSQIPPYEJ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001281782391 905216142 /nfs/dbraw/zinc/21/61/42/905216142.db2.gz HBOKDKSQIPPYEJ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001394133114 908925559 /nfs/dbraw/zinc/92/55/59/908925559.db2.gz IWLHAKHRSJXOCJ-OCCSQVGLSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001394133114 908925563 /nfs/dbraw/zinc/92/55/63/908925563.db2.gz IWLHAKHRSJXOCJ-OCCSQVGLSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001394835026 910697714 /nfs/dbraw/zinc/69/77/14/910697714.db2.gz MGDPLEAXJJPSLP-ZDUSSCGKSA-N 2 2 312.845 1.836 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001374027279 911673728 /nfs/dbraw/zinc/67/37/28/911673728.db2.gz ZBKYJLAQAWZZTA-LBPRGKRZSA-N 2 2 324.856 1.856 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001397622550 916524042 /nfs/dbraw/zinc/52/40/42/916524042.db2.gz IXYQDJAXIFOVBU-OKILXGFUSA-N 2 2 310.829 1.900 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565165 422733647 /nfs/dbraw/zinc/73/36/47/422733647.db2.gz JOYKELQTIILKLE-CHWSQXEVSA-N 2 2 319.371 1.646 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565165 422733652 /nfs/dbraw/zinc/73/36/52/422733652.db2.gz JOYKELQTIILKLE-CHWSQXEVSA-N 2 2 319.371 1.646 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000265988341 186350179 /nfs/dbraw/zinc/35/01/79/186350179.db2.gz ILIWJCGLCVPCCV-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C ZINC000265988341 186350181 /nfs/dbraw/zinc/35/01/81/186350181.db2.gz ILIWJCGLCVPCCV-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988341 186350183 /nfs/dbraw/zinc/35/01/83/186350183.db2.gz ILIWJCGLCVPCCV-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988341 186350185 /nfs/dbraw/zinc/35/01/85/186350185.db2.gz ILIWJCGLCVPCCV-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174210807 198306190 /nfs/dbraw/zinc/30/61/90/198306190.db2.gz CZJKCTSFNRFSQU-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174210807 198306192 /nfs/dbraw/zinc/30/61/92/198306192.db2.gz CZJKCTSFNRFSQU-UONOGXRCSA-N 2 2 310.442 1.050 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000592183692 355528041 /nfs/dbraw/zinc/52/80/41/355528041.db2.gz VRASIJAEVHRNFS-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000592183692 355528045 /nfs/dbraw/zinc/52/80/45/355528045.db2.gz VRASIJAEVHRNFS-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500160 356519743 /nfs/dbraw/zinc/51/97/43/356519743.db2.gz BVPYBRHSZWGNNB-JKSUJKDBSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500160 356519747 /nfs/dbraw/zinc/51/97/47/356519747.db2.gz BVPYBRHSZWGNNB-JKSUJKDBSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500160 356519749 /nfs/dbraw/zinc/51/97/49/356519749.db2.gz BVPYBRHSZWGNNB-JKSUJKDBSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595500160 356519752 /nfs/dbraw/zinc/51/97/52/356519752.db2.gz BVPYBRHSZWGNNB-JKSUJKDBSA-N 2 2 318.421 1.107 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCOCC1 ZINC000600724696 358297139 /nfs/dbraw/zinc/29/71/39/358297139.db2.gz ZECBEGZSHCHKEZ-CVEARBPZSA-N 2 2 307.438 1.132 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000600724696 358297144 /nfs/dbraw/zinc/29/71/44/358297144.db2.gz ZECBEGZSHCHKEZ-CVEARBPZSA-N 2 2 307.438 1.132 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000609793488 360351011 /nfs/dbraw/zinc/35/10/11/360351011.db2.gz ZPPVGZNZGASIJJ-UHFFFAOYSA-N 2 2 309.373 1.590 20 30 DDEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000611465570 360725788 /nfs/dbraw/zinc/72/57/88/360725788.db2.gz AIHJXDJZZSBQCD-GFCCVEGCSA-N 2 2 304.369 1.122 20 30 DDEDLP C=CC[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262634944 203359022 /nfs/dbraw/zinc/35/90/22/203359022.db2.gz MJTAXUAWUBXDAS-YOEHRIQHSA-N 2 2 312.417 1.882 20 30 DDEDLP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001120496570 781985516 /nfs/dbraw/zinc/98/55/16/781985516.db2.gz DYWIBEJBCALUDB-SJORKVTESA-N 2 2 321.852 1.212 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000330873243 533589365 /nfs/dbraw/zinc/58/93/65/533589365.db2.gz HPDNIDYEYXTMAB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000330873243 533589373 /nfs/dbraw/zinc/58/93/73/533589373.db2.gz HPDNIDYEYXTMAB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873243 533589379 /nfs/dbraw/zinc/58/93/79/533589379.db2.gz HPDNIDYEYXTMAB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873243 533589386 /nfs/dbraw/zinc/58/93/86/533589386.db2.gz HPDNIDYEYXTMAB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804948 406774679 /nfs/dbraw/zinc/77/46/79/406774679.db2.gz PFBWWHFGBSJXKI-QGZVFWFLSA-N 2 2 321.465 1.231 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804948 406774682 /nfs/dbraw/zinc/77/46/82/406774682.db2.gz PFBWWHFGBSJXKI-QGZVFWFLSA-N 2 2 321.465 1.231 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835281 406942841 /nfs/dbraw/zinc/94/28/41/406942841.db2.gz XRIRRHZHWJFKKT-KRWDZBQOSA-N 2 2 305.466 1.995 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835281 406942842 /nfs/dbraw/zinc/94/28/42/406942842.db2.gz XRIRRHZHWJFKKT-KRWDZBQOSA-N 2 2 305.466 1.995 20 30 DDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000271230404 407588294 /nfs/dbraw/zinc/58/82/94/407588294.db2.gz UDCXYDKPDAKKRJ-UHFFFAOYSA-N 2 2 300.362 1.854 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129467780 407613974 /nfs/dbraw/zinc/61/39/74/407613974.db2.gz REIQSIGLDJRDQD-IAGOWNOFSA-N 2 2 323.481 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129467780 407613979 /nfs/dbraw/zinc/61/39/79/407613979.db2.gz REIQSIGLDJRDQD-IAGOWNOFSA-N 2 2 323.481 1.454 20 30 DDEDLP C#CCNC(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262656565 407890664 /nfs/dbraw/zinc/89/06/64/407890664.db2.gz XFJDHLDDCNRIAW-CYBMUJFWSA-N 2 2 304.463 1.683 20 30 DDEDLP C#CCNC(NC[C@@H](C)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262656565 407890669 /nfs/dbraw/zinc/89/06/69/407890669.db2.gz XFJDHLDDCNRIAW-CYBMUJFWSA-N 2 2 304.463 1.683 20 30 DDEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036055 407949029 /nfs/dbraw/zinc/94/90/29/407949029.db2.gz UJIWZEZNDHNIOW-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000188992957 407991178 /nfs/dbraw/zinc/99/11/78/407991178.db2.gz WXSBHDDXUPQGJV-AWEZNQCLSA-N 2 2 314.433 1.589 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000160048862 408453068 /nfs/dbraw/zinc/45/30/68/408453068.db2.gz CCSPBDGHFPDXCJ-IBGZPJMESA-N 2 2 315.436 1.889 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000160048862 408453070 /nfs/dbraw/zinc/45/30/70/408453070.db2.gz CCSPBDGHFPDXCJ-IBGZPJMESA-N 2 2 315.436 1.889 20 30 DDEDLP N#CCCN(CCC[NH+]1CCCCC1)CC[NH+]1CCOCC1 ZINC000161390326 408598271 /nfs/dbraw/zinc/59/82/71/408598271.db2.gz AFEXUTHRGADYPM-UHFFFAOYSA-N 2 2 308.470 1.410 20 30 DDEDLP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H](C)C#N ZINC000184959430 408725715 /nfs/dbraw/zinc/72/57/15/408725715.db2.gz UZAVESWCWVKCMT-WBVHZDCISA-N 2 2 316.449 1.887 20 30 DDEDLP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H](C)C#N ZINC000184959430 408725720 /nfs/dbraw/zinc/72/57/20/408725720.db2.gz UZAVESWCWVKCMT-WBVHZDCISA-N 2 2 316.449 1.887 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000290990523 408856177 /nfs/dbraw/zinc/85/61/77/408856177.db2.gz KXUFZFMYTPEGBP-UHFFFAOYSA-N 2 2 303.410 1.449 20 30 DDEDLP COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290089733 409299762 /nfs/dbraw/zinc/29/97/62/409299762.db2.gz VSPJXKKWZNTYQK-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290089733 409299763 /nfs/dbraw/zinc/29/97/63/409299763.db2.gz VSPJXKKWZNTYQK-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290089733 409299765 /nfs/dbraw/zinc/29/97/65/409299765.db2.gz VSPJXKKWZNTYQK-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290089733 409299767 /nfs/dbraw/zinc/29/97/67/409299767.db2.gz VSPJXKKWZNTYQK-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352388821 410654108 /nfs/dbraw/zinc/65/41/08/410654108.db2.gz VXYQGDPDOYEWRR-UHFFFAOYSA-N 2 2 301.390 1.872 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000343916022 410807231 /nfs/dbraw/zinc/80/72/31/410807231.db2.gz PFYVIDHNCHRNTJ-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000343916022 410807236 /nfs/dbraw/zinc/80/72/36/410807236.db2.gz PFYVIDHNCHRNTJ-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356235191 410912444 /nfs/dbraw/zinc/91/24/44/410912444.db2.gz VPBPNMZMAPLDJM-CQSZACIVSA-N 2 2 305.451 1.227 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000356235191 410912451 /nfs/dbraw/zinc/91/24/51/410912451.db2.gz VPBPNMZMAPLDJM-CQSZACIVSA-N 2 2 305.451 1.227 20 30 DDEDLP C=CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374468176 418534256 /nfs/dbraw/zinc/53/42/56/418534256.db2.gz CSFSPJNHNQERJP-AWEZNQCLSA-N 2 2 306.454 1.515 20 30 DDEDLP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374468176 418534261 /nfs/dbraw/zinc/53/42/61/418534261.db2.gz CSFSPJNHNQERJP-AWEZNQCLSA-N 2 2 306.454 1.515 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1=O ZINC000361026761 418568643 /nfs/dbraw/zinc/56/86/43/418568643.db2.gz JSNWOPCCEKVISI-AWEZNQCLSA-N 2 2 313.361 1.166 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246152875 222220421 /nfs/dbraw/zinc/22/04/21/222220421.db2.gz GEEONGVVKDAHKM-DOTOQJQBSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246152875 222220424 /nfs/dbraw/zinc/22/04/24/222220424.db2.gz GEEONGVVKDAHKM-DOTOQJQBSA-N 2 2 306.454 1.459 20 30 DDEDLP [NH2+]=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CCCC1 ZINC000261888440 222261077 /nfs/dbraw/zinc/26/10/77/222261077.db2.gz SMTFGIXISSWXTO-OAHLLOKOSA-N 2 2 312.483 1.041 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261885241 222261417 /nfs/dbraw/zinc/26/14/17/222261417.db2.gz RVLGOKUAZCFGCI-AWEZNQCLSA-N 2 2 314.393 1.159 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCCC2)cc1 ZINC000267005183 222366256 /nfs/dbraw/zinc/36/62/56/222366256.db2.gz JLVGMAIJBBPXBC-UHFFFAOYSA-N 2 2 304.394 1.008 20 30 DDEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000489495455 421158872 /nfs/dbraw/zinc/15/88/72/421158872.db2.gz JHLYGCTZAMLVBU-IAGOWNOFSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000489495455 421158875 /nfs/dbraw/zinc/15/88/75/421158875.db2.gz JHLYGCTZAMLVBU-IAGOWNOFSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000489495455 421158879 /nfs/dbraw/zinc/15/88/79/421158879.db2.gz JHLYGCTZAMLVBU-IAGOWNOFSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000489495455 421158881 /nfs/dbraw/zinc/15/88/81/421158881.db2.gz JHLYGCTZAMLVBU-IAGOWNOFSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491710798 421201652 /nfs/dbraw/zinc/20/16/52/421201652.db2.gz ZCJKCTSSOVMAAD-GOSISDBHSA-N 2 2 324.428 1.970 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531719592 421643717 /nfs/dbraw/zinc/64/37/17/421643717.db2.gz MXQWRRXQPSFTDZ-UHFFFAOYSA-N 2 2 301.438 1.685 20 30 DDEDLP C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000517231814 421601817 /nfs/dbraw/zinc/60/18/17/421601817.db2.gz QMKUHNPIOPGQHY-RYQLBKOJSA-N 2 2 318.465 1.474 20 30 DDEDLP C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000517231814 421601820 /nfs/dbraw/zinc/60/18/20/421601820.db2.gz QMKUHNPIOPGQHY-RYQLBKOJSA-N 2 2 318.465 1.474 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000573956946 422040623 /nfs/dbraw/zinc/04/06/23/422040623.db2.gz MLXWXHFMMKMSHM-GJZGRUSLSA-N 2 2 312.373 1.099 20 30 DDEDLP C=CC[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573609204 421988585 /nfs/dbraw/zinc/98/85/85/421988585.db2.gz XIYJRDRCMAELLO-CABCVRRESA-N 2 2 303.406 1.541 20 30 DDEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789100 423988395 /nfs/dbraw/zinc/98/83/95/423988395.db2.gz YPPRXCNOAFKABQ-RCCFBDPRSA-N 2 2 309.498 1.973 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000657365199 424309017 /nfs/dbraw/zinc/30/90/17/424309017.db2.gz XVAAILSFNCLLGS-HNNXBMFYSA-N 2 2 319.453 1.445 20 30 DDEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329742128 277037113 /nfs/dbraw/zinc/03/71/13/277037113.db2.gz PDRVBOQPOYHORS-CYBMUJFWSA-N 2 2 317.437 1.741 20 30 DDEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329742128 277037115 /nfs/dbraw/zinc/03/71/15/277037115.db2.gz PDRVBOQPOYHORS-CYBMUJFWSA-N 2 2 317.437 1.741 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000491296946 526806878 /nfs/dbraw/zinc/80/68/78/526806878.db2.gz OBPMWRBSFSUWDV-UHFFFAOYSA-N 2 2 317.437 1.316 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000491296946 526806881 /nfs/dbraw/zinc/80/68/81/526806881.db2.gz OBPMWRBSFSUWDV-UHFFFAOYSA-N 2 2 317.437 1.316 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(C)c2)CC1 ZINC000490917388 526950043 /nfs/dbraw/zinc/95/00/43/526950043.db2.gz XNZAUDKJGCRXNA-UHFFFAOYSA-N 2 2 313.445 1.597 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000490761676 526950456 /nfs/dbraw/zinc/95/04/56/526950456.db2.gz VROAZUTZOMMNMA-APWZRJJASA-N 2 2 311.429 1.457 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000490761676 526950462 /nfs/dbraw/zinc/95/04/62/526950462.db2.gz VROAZUTZOMMNMA-APWZRJJASA-N 2 2 311.429 1.457 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818202 695102181 /nfs/dbraw/zinc/10/21/81/695102181.db2.gz NESXWFMAOJXTBX-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818202 695102183 /nfs/dbraw/zinc/10/21/83/695102183.db2.gz NESXWFMAOJXTBX-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818202 695102185 /nfs/dbraw/zinc/10/21/85/695102185.db2.gz NESXWFMAOJXTBX-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818202 695102187 /nfs/dbraw/zinc/10/21/87/695102187.db2.gz NESXWFMAOJXTBX-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972006895 695138109 /nfs/dbraw/zinc/13/81/09/695138109.db2.gz VVPCWJSQPVWFPX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006895 695138110 /nfs/dbraw/zinc/13/81/10/695138110.db2.gz VVPCWJSQPVWFPX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006895 695138111 /nfs/dbraw/zinc/13/81/11/695138111.db2.gz VVPCWJSQPVWFPX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006895 695138112 /nfs/dbraw/zinc/13/81/12/695138112.db2.gz VVPCWJSQPVWFPX-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734027 695721529 /nfs/dbraw/zinc/72/15/29/695721529.db2.gz KWMBPYKLYDMWAM-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734027 695721531 /nfs/dbraw/zinc/72/15/31/695721531.db2.gz KWMBPYKLYDMWAM-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977575547 696219606 /nfs/dbraw/zinc/21/96/06/696219606.db2.gz JSLUWNGIXGTBLL-ZDUSSCGKSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977575547 696219607 /nfs/dbraw/zinc/21/96/07/696219607.db2.gz JSLUWNGIXGTBLL-ZDUSSCGKSA-N 2 2 310.829 1.771 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981992829 696996783 /nfs/dbraw/zinc/99/67/83/696996783.db2.gz KGTXGZARIGXONK-HUUCEWRRSA-N 2 2 300.406 1.081 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000981992829 696996785 /nfs/dbraw/zinc/99/67/85/696996785.db2.gz KGTXGZARIGXONK-HUUCEWRRSA-N 2 2 300.406 1.081 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005047 696999737 /nfs/dbraw/zinc/99/97/37/696999737.db2.gz FQYOOOOHMSZXQL-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000982005047 696999738 /nfs/dbraw/zinc/99/97/38/696999738.db2.gz FQYOOOOHMSZXQL-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP CC[C@]1(C)CCN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000261838616 698440102 /nfs/dbraw/zinc/44/01/02/698440102.db2.gz WIYODZLEORSEJL-MRXNPFEDSA-N 2 2 306.458 1.684 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854859 698797944 /nfs/dbraw/zinc/79/79/44/698797944.db2.gz WBHPPBVYQATRLP-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991443763 699325796 /nfs/dbraw/zinc/32/57/96/699325796.db2.gz CEXWGGHZTYLAJM-UWWQBHOKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@H]12 ZINC000991443763 699325799 /nfs/dbraw/zinc/32/57/99/699325799.db2.gz CEXWGGHZTYLAJM-UWWQBHOKSA-N 2 2 312.417 1.192 20 30 DDEDLP CNC(=S)N(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841647174 702516327 /nfs/dbraw/zinc/51/63/27/702516327.db2.gz XZNJRTLJAIFBSB-UHFFFAOYSA-N 2 2 305.451 1.208 20 30 DDEDLP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852102153 703923477 /nfs/dbraw/zinc/92/34/77/703923477.db2.gz WLEGVSVWGZCQRF-MAUKXSAKSA-N 2 2 314.433 1.510 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(OC)cc2)C1 ZINC000870144673 703929677 /nfs/dbraw/zinc/92/96/77/703929677.db2.gz FVBMYEABCWUMOS-MRXNPFEDSA-N 2 2 303.406 1.286 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000876764977 705864859 /nfs/dbraw/zinc/86/48/59/705864859.db2.gz PXIGGZACWQDOPW-GOSISDBHSA-N 2 2 324.428 1.442 20 30 DDEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000863553259 705956532 /nfs/dbraw/zinc/95/65/32/705956532.db2.gz YAGWDPXVIDWZPU-SJORKVTESA-N 2 2 317.433 1.914 20 30 DDEDLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(C#N)CCCCC2)cnn1C ZINC000903932329 711339467 /nfs/dbraw/zinc/33/94/67/711339467.db2.gz BECYBZLRRRJGHZ-HNNXBMFYSA-N 2 2 303.454 1.910 20 30 DDEDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924757719 714657816 /nfs/dbraw/zinc/65/78/16/714657816.db2.gz QMAUBFISTTVCOB-HOCLYGCPSA-N 2 2 303.406 1.761 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000957046642 715721519 /nfs/dbraw/zinc/72/15/19/715721519.db2.gz WSGWWEZLTZWQQM-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960533119 716601270 /nfs/dbraw/zinc/60/12/70/716601270.db2.gz FDLCSECEBUIANB-ZSHCYNCHSA-N 2 2 316.449 1.939 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960533119 716601272 /nfs/dbraw/zinc/60/12/72/716601272.db2.gz FDLCSECEBUIANB-ZSHCYNCHSA-N 2 2 316.449 1.939 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267335 716888155 /nfs/dbraw/zinc/88/81/55/716888155.db2.gz HKYGTKNBLNCYAP-HOTGVXAUSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267335 716888159 /nfs/dbraw/zinc/88/81/59/716888159.db2.gz HKYGTKNBLNCYAP-HOTGVXAUSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844035 716987389 /nfs/dbraw/zinc/98/73/89/716987389.db2.gz AINJMXCORFEQRW-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844035 716987393 /nfs/dbraw/zinc/98/73/93/716987393.db2.gz AINJMXCORFEQRW-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP N#Cc1ccc(C[NH2+]CC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000962360743 717423208 /nfs/dbraw/zinc/42/32/08/717423208.db2.gz AGYSAIRIABXDEL-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401452 718871525 /nfs/dbraw/zinc/87/15/25/718871525.db2.gz BJIMIPPXUQDPTG-GOEBONIOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401452 718871529 /nfs/dbraw/zinc/87/15/29/718871529.db2.gz BJIMIPPXUQDPTG-GOEBONIOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969998390 720592612 /nfs/dbraw/zinc/59/26/12/720592612.db2.gz RQVRBFUIWXXMCT-YPMHNXCESA-N 2 2 302.422 1.446 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969998811 720592719 /nfs/dbraw/zinc/59/27/19/720592719.db2.gz VJPUVHWLQWXQIU-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969998814 720592773 /nfs/dbraw/zinc/59/27/73/720592773.db2.gz VJPUVHWLQWXQIU-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000970343466 720721476 /nfs/dbraw/zinc/72/14/76/720721476.db2.gz MOKOAUZPIYFGAL-LLVKDONJSA-N 2 2 315.402 1.276 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407042 720749891 /nfs/dbraw/zinc/74/98/91/720749891.db2.gz DDVQABMVFGHAAP-OCCSQVGLSA-N 2 2 302.422 1.842 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970655029 720871987 /nfs/dbraw/zinc/87/19/87/720871987.db2.gz PLRJYHARRUMZEG-CQSZACIVSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000951366047 721003795 /nfs/dbraw/zinc/00/37/95/721003795.db2.gz VCYKEIMPHPQRHY-INIZCTEOSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000951366047 721003799 /nfs/dbraw/zinc/00/37/99/721003799.db2.gz VCYKEIMPHPQRHY-INIZCTEOSA-N 2 2 309.454 1.204 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001020819327 732693795 /nfs/dbraw/zinc/69/37/95/732693795.db2.gz UGXZCXGIIDXSAW-SHTZXODSSA-N 2 2 309.373 1.261 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576327 733333409 /nfs/dbraw/zinc/33/34/09/733333409.db2.gz WWHYTORZGRAVFL-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021576327 733333413 /nfs/dbraw/zinc/33/34/13/733333413.db2.gz WWHYTORZGRAVFL-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638006 733391997 /nfs/dbraw/zinc/39/19/97/733391997.db2.gz GOPUDFZOHJGASC-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638006 733392000 /nfs/dbraw/zinc/39/20/00/733392000.db2.gz GOPUDFZOHJGASC-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021715688 733478094 /nfs/dbraw/zinc/47/80/94/733478094.db2.gz IEEIELFTQZZRAM-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021715688 733478096 /nfs/dbraw/zinc/47/80/96/733478096.db2.gz IEEIELFTQZZRAM-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001104365239 734373222 /nfs/dbraw/zinc/37/32/22/734373222.db2.gz AUAJVZYBSUHMAA-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001022115854 734395329 /nfs/dbraw/zinc/39/53/29/734395329.db2.gz OFZYJRHUVRSZGF-DVOMOZLQSA-N 2 2 317.437 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001022115854 734395332 /nfs/dbraw/zinc/39/53/32/734395332.db2.gz OFZYJRHUVRSZGF-DVOMOZLQSA-N 2 2 317.437 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001022322418 734488345 /nfs/dbraw/zinc/48/83/45/734488345.db2.gz QKRITTZJUYSPCP-MELADBBJSA-N 2 2 302.422 1.636 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001022322418 734488348 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CKXBBVQYXIGDMM-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532875 744055103 /nfs/dbraw/zinc/05/51/03/744055103.db2.gz CKXBBVQYXIGDMM-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185215677 744181972 /nfs/dbraw/zinc/18/19/72/744181972.db2.gz NUOMABHQNNCAHE-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185575872 744250321 /nfs/dbraw/zinc/25/03/21/744250321.db2.gz XITYTGBMZHZMPR-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185789099 744286445 /nfs/dbraw/zinc/28/64/45/744286445.db2.gz RXIJEKDKLPJQRB-CVEARBPZSA-N 2 2 320.437 1.160 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212200931 745550927 /nfs/dbraw/zinc/55/09/27/745550927.db2.gz HLJOFAVTQREFBN-ZIAGYGMSSA-N 2 2 306.410 1.124 20 30 DDEDLP 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C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876566 750013265 /nfs/dbraw/zinc/01/32/65/750013265.db2.gz CAKZBYFWQFQAOI-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876566 750013270 /nfs/dbraw/zinc/01/32/70/750013270.db2.gz CAKZBYFWQFQAOI-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425776 762021893 /nfs/dbraw/zinc/02/18/93/762021893.db2.gz VPOKBYIRWFITLY-CVEARBPZSA-N 2 2 315.417 1.653 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425776 762021903 /nfs/dbraw/zinc/02/19/03/762021903.db2.gz VPOKBYIRWFITLY-CVEARBPZSA-N 2 2 315.417 1.653 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111337830 750483745 /nfs/dbraw/zinc/48/37/45/750483745.db2.gz BBBYYDYOSAEFLQ-BMFZPTHFSA-N 2 2 302.422 1.650 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111337830 750483748 /nfs/dbraw/zinc/48/37/48/750483748.db2.gz BBBYYDYOSAEFLQ-BMFZPTHFSA-N 2 2 302.422 1.650 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005580332 750656175 /nfs/dbraw/zinc/65/61/75/750656175.db2.gz LHBLHGRIXXKALP-UHFFFAOYSA-N 2 2 316.449 1.873 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032415229 750678230 /nfs/dbraw/zinc/67/82/30/750678230.db2.gz TZKFMACMVJQQNA-HOTGVXAUSA-N 2 2 314.433 1.623 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032415229 750678232 /nfs/dbraw/zinc/67/82/32/750678232.db2.gz TZKFMACMVJQQNA-HOTGVXAUSA-N 2 2 314.433 1.623 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259406 751336605 /nfs/dbraw/zinc/33/66/05/751336605.db2.gz MVKCWIHSFNGRGK-UHFFFAOYSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259406 751336610 /nfs/dbraw/zinc/33/66/10/751336610.db2.gz MVKCWIHSFNGRGK-UHFFFAOYSA-N 2 2 322.840 1.950 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009246554 753125588 /nfs/dbraw/zinc/12/55/88/753125588.db2.gz OULKGHHIYXBJKP-CQSZACIVSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009246554 753125590 /nfs/dbraw/zinc/12/55/90/753125590.db2.gz OULKGHHIYXBJKP-CQSZACIVSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001822869 754524859 /nfs/dbraw/zinc/52/48/59/754524859.db2.gz RCMKEPXWGIMTTF-AWEZNQCLSA-N 2 2 300.406 1.291 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319841 762486972 /nfs/dbraw/zinc/48/69/72/762486972.db2.gz LDZUJFBWFUGNAA-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319841 762486975 /nfs/dbraw/zinc/48/69/75/762486975.db2.gz LDZUJFBWFUGNAA-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001001057544 762510645 /nfs/dbraw/zinc/51/06/45/762510645.db2.gz XRJZZYITHFFGIF-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001097248134 757012671 /nfs/dbraw/zinc/01/26/71/757012671.db2.gz RIAXAYVULKKMSE-WCVJEAGWSA-N 2 2 307.413 1.165 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001097248134 757012681 /nfs/dbraw/zinc/01/26/81/757012681.db2.gz RIAXAYVULKKMSE-WCVJEAGWSA-N 2 2 307.413 1.165 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCF ZINC001097248134 757012691 /nfs/dbraw/zinc/01/26/91/757012691.db2.gz RIAXAYVULKKMSE-WCVJEAGWSA-N 2 2 307.413 1.165 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCF ZINC001097248134 757012700 /nfs/dbraw/zinc/01/27/00/757012700.db2.gz RIAXAYVULKKMSE-WCVJEAGWSA-N 2 2 307.413 1.165 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001016694883 757273754 /nfs/dbraw/zinc/27/37/54/757273754.db2.gz RYQDHOMNDQJREH-HOCLYGCPSA-N 2 2 312.417 1.049 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001084471618 757587685 /nfs/dbraw/zinc/58/76/85/757587685.db2.gz DFCDKSKIWOTVQO-CZUORRHYSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001084471618 757587686 /nfs/dbraw/zinc/58/76/86/757587686.db2.gz DFCDKSKIWOTVQO-CZUORRHYSA-N 2 2 318.421 1.459 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869104 757904930 /nfs/dbraw/zinc/90/49/30/757904930.db2.gz AWZVBSXBPSVJSN-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869104 757904938 /nfs/dbraw/zinc/90/49/38/757904938.db2.gz AWZVBSXBPSVJSN-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001017671541 758140556 /nfs/dbraw/zinc/14/05/56/758140556.db2.gz USPSIKVVTOPWDQ-OAGGEKHMSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001017671541 758140568 /nfs/dbraw/zinc/14/05/68/758140568.db2.gz USPSIKVVTOPWDQ-OAGGEKHMSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001085207375 759148219 /nfs/dbraw/zinc/14/82/19/759148219.db2.gz QFHFIEKNENFRBJ-HZPDHXFCSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250553 759200031 /nfs/dbraw/zinc/20/00/31/759200031.db2.gz YSGAFBFPFPZCMT-RRFJBIMHSA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250553 759200037 /nfs/dbraw/zinc/20/00/37/759200037.db2.gz YSGAFBFPFPZCMT-RRFJBIMHSA-N 2 2 314.433 1.473 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227261 759316389 /nfs/dbraw/zinc/31/63/89/759316389.db2.gz GAONKCSLACZYCJ-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227261 759316395 /nfs/dbraw/zinc/31/63/95/759316395.db2.gz GAONKCSLACZYCJ-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233003 759323566 /nfs/dbraw/zinc/32/35/66/759323566.db2.gz AGKPGFMAWXTMOO-QGZVFWFLSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233003 759323571 /nfs/dbraw/zinc/32/35/71/759323571.db2.gz AGKPGFMAWXTMOO-QGZVFWFLSA-N 2 2 302.422 1.761 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281658 759390404 /nfs/dbraw/zinc/39/04/04/759390404.db2.gz VAHRAYWMJKCKAL-RDTXWAMCSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281658 759390413 /nfs/dbraw/zinc/39/04/13/759390413.db2.gz VAHRAYWMJKCKAL-RDTXWAMCSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281658 759390423 /nfs/dbraw/zinc/39/04/23/759390423.db2.gz VAHRAYWMJKCKAL-RDTXWAMCSA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281658 759390434 /nfs/dbraw/zinc/39/04/34/759390434.db2.gz VAHRAYWMJKCKAL-RDTXWAMCSA-N 2 2 311.429 1.449 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001019056451 759551091 /nfs/dbraw/zinc/55/10/91/759551091.db2.gz ZMBAMMFLSIEFJI-OLZOCXBDSA-N 2 2 308.813 1.389 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108208199 760135688 /nfs/dbraw/zinc/13/56/88/760135688.db2.gz YMHJRNADAODGOA-DOTOQJQBSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108208199 760135692 /nfs/dbraw/zinc/13/56/92/760135692.db2.gz YMHJRNADAODGOA-DOTOQJQBSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086408941 761564492 /nfs/dbraw/zinc/56/44/92/761564492.db2.gz ZTKQDMXJHOSVKA-MGPQQGTHSA-N 2 2 302.422 1.493 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086408941 761564495 /nfs/dbraw/zinc/56/44/95/761564495.db2.gz ZTKQDMXJHOSVKA-MGPQQGTHSA-N 2 2 302.422 1.493 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001001408459 762836234 /nfs/dbraw/zinc/83/62/34/762836234.db2.gz QAGLCWNMOJTMFO-UHFFFAOYSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001001561612 762962599 /nfs/dbraw/zinc/96/25/99/762962599.db2.gz JMMGHHIUGVXSNW-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041341678 762967678 /nfs/dbraw/zinc/96/76/78/762967678.db2.gz BDISMMXUNRUFMW-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041341678 762967682 /nfs/dbraw/zinc/96/76/82/762967682.db2.gz BDISMMXUNRUFMW-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041341678 762967686 /nfs/dbraw/zinc/96/76/86/762967686.db2.gz BDISMMXUNRUFMW-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041341678 762967688 /nfs/dbraw/zinc/96/76/88/762967688.db2.gz BDISMMXUNRUFMW-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834338 762974049 /nfs/dbraw/zinc/97/40/49/762974049.db2.gz KTSVMQZQGNKGAS-ULQDDVLXSA-N 2 2 314.433 1.656 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081405 763106515 /nfs/dbraw/zinc/10/65/15/763106515.db2.gz WLERLNKPPUMYPY-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050081405 763106529 /nfs/dbraw/zinc/10/65/29/763106529.db2.gz WLERLNKPPUMYPY-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041810500 763362855 /nfs/dbraw/zinc/36/28/55/763362855.db2.gz GGRMOWREAKMJFO-GOSISDBHSA-N 2 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COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267730851 838771487 /nfs/dbraw/zinc/77/14/87/838771487.db2.gz DACGPQKUVSSTGO-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267730851 838771492 /nfs/dbraw/zinc/77/14/92/838771492.db2.gz DACGPQKUVSSTGO-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1nccs1 ZINC001267806264 839008432 /nfs/dbraw/zinc/00/84/32/839008432.db2.gz MDICLFUGNLBDCN-KBPBESRZSA-N 2 2 320.462 1.225 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1nccs1 ZINC001267806264 839008438 /nfs/dbraw/zinc/00/84/38/839008438.db2.gz MDICLFUGNLBDCN-KBPBESRZSA-N 2 2 320.462 1.225 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001268133976 839734492 /nfs/dbraw/zinc/73/44/92/839734492.db2.gz VSBVDKQWAROELD-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001268273366 839929171 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CC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001269234916 841393566 /nfs/dbraw/zinc/39/35/66/841393566.db2.gz GIPREXMHQLWFPO-GJZGRUSLSA-N 2 2 302.422 1.610 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001269785453 842050225 /nfs/dbraw/zinc/05/02/25/842050225.db2.gz NHDXVMZYOIJLKJ-AWEZNQCLSA-N 2 2 324.856 1.933 20 30 DDEDLP CC#CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270716691 842842054 /nfs/dbraw/zinc/84/20/54/842842054.db2.gz MWQJNNVNNZDQJA-SJORKVTESA-N 2 2 300.406 1.458 20 30 DDEDLP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001270985756 843112198 /nfs/dbraw/zinc/11/21/98/843112198.db2.gz IBEQRCARDFBVHM-MRXNPFEDSA-N 2 2 324.428 1.831 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001271021109 843141232 /nfs/dbraw/zinc/14/12/32/843141232.db2.gz IQUKYVNJONAKBD-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001280394550 843539769 /nfs/dbraw/zinc/53/97/69/843539769.db2.gz QJNYCDDRPUVBTP-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001272589804 846366494 /nfs/dbraw/zinc/36/64/94/846366494.db2.gz BLZCTUDLNHJZHU-INIZCTEOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001272589806 846367101 /nfs/dbraw/zinc/36/71/01/846367101.db2.gz BLZCTUDLNHJZHU-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001272877467 847580417 /nfs/dbraw/zinc/58/04/17/847580417.db2.gz SSTJPCKKKXTNFL-INIZCTEOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001272877467 847580426 /nfs/dbraw/zinc/58/04/26/847580426.db2.gz SSTJPCKKKXTNFL-INIZCTEOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276713 848232967 /nfs/dbraw/zinc/23/29/67/848232967.db2.gz RFUUYIUFGIRQKH-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276713 848232970 /nfs/dbraw/zinc/23/29/70/848232970.db2.gz RFUUYIUFGIRQKH-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401914 848468716 /nfs/dbraw/zinc/46/87/16/848468716.db2.gz WXNRZOYAJNYCKZ-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273863824 851435741 /nfs/dbraw/zinc/43/57/41/851435741.db2.gz PKXKOVGITPRUIA-CRAIPNDOSA-N 2 2 323.481 1.378 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273863824 851435743 /nfs/dbraw/zinc/43/57/43/851435743.db2.gz PKXKOVGITPRUIA-CRAIPNDOSA-N 2 2 323.481 1.378 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001274436689 852264701 /nfs/dbraw/zinc/26/47/01/852264701.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001274436689 852264708 /nfs/dbraw/zinc/26/47/08/852264708.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001274436689 852264719 /nfs/dbraw/zinc/26/47/19/852264719.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001274436689 852264725 /nfs/dbraw/zinc/26/47/25/852264725.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328255363 862829280 /nfs/dbraw/zinc/82/92/80/862829280.db2.gz HXUYXVYSGICYRH-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328255363 862829294 /nfs/dbraw/zinc/82/92/94/862829294.db2.gz HXUYXVYSGICYRH-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328255363 862829304 /nfs/dbraw/zinc/82/93/04/862829304.db2.gz HXUYXVYSGICYRH-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328255363 862829318 /nfs/dbraw/zinc/82/93/18/862829318.db2.gz HXUYXVYSGICYRH-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972419 857953465 /nfs/dbraw/zinc/95/34/65/857953465.db2.gz ZMGARZZVLQSODK-AWEZNQCLSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972419 857953475 /nfs/dbraw/zinc/95/34/75/857953475.db2.gz ZMGARZZVLQSODK-AWEZNQCLSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922712 860960634 /nfs/dbraw/zinc/96/06/34/860960634.db2.gz UDYVEIADENSLSE-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922712 860960647 /nfs/dbraw/zinc/96/06/47/860960647.db2.gz UDYVEIADENSLSE-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344921 861024349 /nfs/dbraw/zinc/02/43/49/861024349.db2.gz PUBUECSLDFMXCL-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344921 861024361 /nfs/dbraw/zinc/02/43/61/861024361.db2.gz PUBUECSLDFMXCL-OAHLLOKOSA-N 2 2 316.449 1.612 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891242 864197841 /nfs/dbraw/zinc/19/78/41/864197841.db2.gz SQMMSLRUOBAXES-RBSFLKMASA-N 2 2 320.437 1.542 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891242 864197849 /nfs/dbraw/zinc/19/78/49/864197849.db2.gz SQMMSLRUOBAXES-RBSFLKMASA-N 2 2 320.437 1.542 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891242 864197858 /nfs/dbraw/zinc/19/78/58/864197858.db2.gz SQMMSLRUOBAXES-RBSFLKMASA-N 2 2 320.437 1.542 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891242 864197866 /nfs/dbraw/zinc/19/78/66/864197866.db2.gz SQMMSLRUOBAXES-RBSFLKMASA-N 2 2 320.437 1.542 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001331468585 865104903 /nfs/dbraw/zinc/10/49/03/865104903.db2.gz DBXCXYYPJZMING-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001331468585 865104910 /nfs/dbraw/zinc/10/49/10/865104910.db2.gz DBXCXYYPJZMING-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP N#Cc1ccc2cc[nH+]c(NCCOCCOCC[NH3+])c2c1 ZINC001159444993 865298398 /nfs/dbraw/zinc/29/83/98/865298398.db2.gz RKSZITJZRRFWDT-UHFFFAOYSA-N 2 2 300.362 1.510 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CCCCC1 ZINC001319669721 866201820 /nfs/dbraw/zinc/20/18/20/866201820.db2.gz SQTNNLPHRVWBEY-KRWDZBQOSA-N 2 2 316.449 1.951 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001323022583 866275246 /nfs/dbraw/zinc/27/52/46/866275246.db2.gz PPBUMUXNJRUAAR-LSDHHAIUSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320471476 866763051 /nfs/dbraw/zinc/76/30/51/866763051.db2.gz XLSKCTYHBDAIRC-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001321110689 867322108 /nfs/dbraw/zinc/32/21/08/867322108.db2.gz MIKXUWXFKKBEOW-AATRIKPKSA-N 2 2 310.829 1.941 20 30 DDEDLP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001321110690 867323470 /nfs/dbraw/zinc/32/34/70/867323470.db2.gz MIKXUWXFKKBEOW-WAYWQWQTSA-N 2 2 310.829 1.941 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325429866 868024476 /nfs/dbraw/zinc/02/44/76/868024476.db2.gz VJAQFWRUTIMTTO-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001325663128 868226816 /nfs/dbraw/zinc/22/68/16/868226816.db2.gz TVGBYIYFSRTMLB-QAQDUYKDSA-N 2 2 316.449 1.809 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819754 869721259 /nfs/dbraw/zinc/72/12/59/869721259.db2.gz XLQHPGCWSZEYOG-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322404 869952696 /nfs/dbraw/zinc/95/26/96/869952696.db2.gz CMZCXVYZGVUPQB-UHFFFAOYSA-N 2 2 324.856 1.981 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001339206263 870402943 /nfs/dbraw/zinc/40/29/43/870402943.db2.gz QVISYJGBEZDDKL-HNNXBMFYSA-N 2 2 318.469 1.590 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001339206263 870402952 /nfs/dbraw/zinc/40/29/52/870402952.db2.gz QVISYJGBEZDDKL-HNNXBMFYSA-N 2 2 318.469 1.590 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606800 870668743 /nfs/dbraw/zinc/66/87/43/870668743.db2.gz RBVPOTSHTXVNSG-CVEARBPZSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1OCC ZINC001316693133 871191759 /nfs/dbraw/zinc/19/17/59/871191759.db2.gz LEOCSQWRYCKNQC-BZUAXINKSA-N 2 2 320.437 1.473 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119224 871374138 /nfs/dbraw/zinc/37/41/38/871374138.db2.gz OTCNMILFHTWJKQ-UHFFFAOYSA-N 2 2 310.829 1.923 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641544 873433226 /nfs/dbraw/zinc/43/32/26/873433226.db2.gz SHAJPEKAJFQLSA-BNOWGMLFSA-N 2 2 301.862 1.762 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641544 873433231 /nfs/dbraw/zinc/43/32/31/873433231.db2.gz SHAJPEKAJFQLSA-BNOWGMLFSA-N 2 2 301.862 1.762 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209576806 874984637 /nfs/dbraw/zinc/98/46/37/874984637.db2.gz AIPVYQQIXKKXSS-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227176582 882892817 /nfs/dbraw/zinc/89/28/17/882892817.db2.gz YMBLTOVXDQCUHP-ARFHVFGLSA-N 2 2 314.433 1.486 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001379116885 876443025 /nfs/dbraw/zinc/44/30/25/876443025.db2.gz KCFXIQONTKEDOP-UHFFFAOYSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001379116885 876443028 /nfs/dbraw/zinc/44/30/28/876443028.db2.gz KCFXIQONTKEDOP-UHFFFAOYSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001379207889 876617883 /nfs/dbraw/zinc/61/78/83/876617883.db2.gz IOCZLOPPHWBDLK-CYBMUJFWSA-N 2 2 322.796 1.076 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001379207890 876618134 /nfs/dbraw/zinc/61/81/34/876618134.db2.gz IOCZLOPPHWBDLK-ZDUSSCGKSA-N 2 2 322.796 1.076 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001276779247 877440214 /nfs/dbraw/zinc/44/02/14/877440214.db2.gz QLXBFWLGRUJCQM-GOEBONIOSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001276779247 877440222 /nfs/dbraw/zinc/44/02/22/877440222.db2.gz QLXBFWLGRUJCQM-GOEBONIOSA-N 2 2 320.437 1.514 20 30 DDEDLP N#Cc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1C(F)(F)F ZINC001218659160 877645127 /nfs/dbraw/zinc/64/51/27/877645127.db2.gz NEYJFDCNAFQUDR-JTQLQIEISA-N 2 2 324.266 1.204 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC001356544947 879093300 /nfs/dbraw/zinc/09/33/00/879093300.db2.gz MCRRELUGQKSMCI-KRWDZBQOSA-N 2 2 306.837 1.931 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001414053714 881214327 /nfs/dbraw/zinc/21/43/27/881214327.db2.gz CUPUVFBJZBUKHA-CQSZACIVSA-N 2 2 317.437 1.608 20 30 DDEDLP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277228451 883119835 /nfs/dbraw/zinc/11/98/35/883119835.db2.gz VFDBXNDNJLXFQJ-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001374391857 912705183 /nfs/dbraw/zinc/70/51/83/912705183.db2.gz APKNASZUXOISDG-IUODEOHRSA-N 2 2 324.856 1.932 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558801 884044885 /nfs/dbraw/zinc/04/48/85/884044885.db2.gz HICVHFTWBNPOSW-CQSZACIVSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558801 884044903 /nfs/dbraw/zinc/04/49/03/884044903.db2.gz HICVHFTWBNPOSW-CQSZACIVSA-N 2 2 320.437 1.372 20 30 DDEDLP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001277412261 884121995 /nfs/dbraw/zinc/12/19/95/884121995.db2.gz VZJMZOZRRNPBNS-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001277412261 884122000 /nfs/dbraw/zinc/12/20/00/884122000.db2.gz VZJMZOZRRNPBNS-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230384292 884460152 /nfs/dbraw/zinc/46/01/52/884460152.db2.gz DEPBZLXECBZGNG-QGZVFWFLSA-N 2 2 314.433 1.288 20 30 DDEDLP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961256 888871593 /nfs/dbraw/zinc/87/15/93/888871593.db2.gz VIKNMOFIXVPBLG-CRAIPNDOSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961256 888871612 /nfs/dbraw/zinc/87/16/12/888871612.db2.gz VIKNMOFIXVPBLG-CRAIPNDOSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961256 888871632 /nfs/dbraw/zinc/87/16/32/888871632.db2.gz VIKNMOFIXVPBLG-CRAIPNDOSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961256 888871649 /nfs/dbraw/zinc/87/16/49/888871649.db2.gz VIKNMOFIXVPBLG-CRAIPNDOSA-N 2 2 316.449 1.565 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001374567554 913313110 /nfs/dbraw/zinc/31/31/10/913313110.db2.gz GXMGRJSKNFDRSQ-DZGCQCFKSA-N 2 2 324.856 1.980 20 30 DDEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC001365617240 891167239 /nfs/dbraw/zinc/16/72/39/891167239.db2.gz RPCAQNSNGXPNRJ-INIZCTEOSA-N 2 2 307.438 1.540 20 30 DDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246533891 892680593 /nfs/dbraw/zinc/68/05/93/892680593.db2.gz OXLNUDQSWDZDGA-CABCVRRESA-N 2 2 307.438 1.847 20 30 DDEDLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001366490985 893727360 /nfs/dbraw/zinc/72/73/60/893727360.db2.gz WLNWPZKHPGSOJD-LLVKDONJSA-N 2 2 317.418 1.570 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001374794001 913940937 /nfs/dbraw/zinc/94/09/37/913940937.db2.gz DVDWZMXHVNDYDJ-CQSZACIVSA-N 2 2 311.389 1.439 20 30 DDEDLP C=CCC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252615141 895316304 /nfs/dbraw/zinc/31/63/04/895316304.db2.gz VIYFAAHOYPLSCP-SFHVURJKSA-N 2 2 304.434 1.936 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254664579 896562901 /nfs/dbraw/zinc/56/29/01/896562901.db2.gz ITHNFEDNPRIWKI-UKRRQHHQSA-N 2 2 315.421 1.203 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254664579 896562912 /nfs/dbraw/zinc/56/29/12/896562912.db2.gz ITHNFEDNPRIWKI-UKRRQHHQSA-N 2 2 315.421 1.203 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012187 897834584 /nfs/dbraw/zinc/83/45/84/897834584.db2.gz KDEJLEYQVBEUSV-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001258296877 898130148 /nfs/dbraw/zinc/13/01/48/898130148.db2.gz FNWJOWHBZXKWQL-INIZCTEOSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001258296877 898130154 /nfs/dbraw/zinc/13/01/54/898130154.db2.gz FNWJOWHBZXKWQL-INIZCTEOSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001264170880 900992895 /nfs/dbraw/zinc/99/28/95/900992895.db2.gz QBLXSRGACRZILQ-KGLIPLIRSA-N 2 2 306.410 1.042 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001265329859 901893615 /nfs/dbraw/zinc/89/36/15/901893615.db2.gz OJVZULFIBDCHGY-HNNXBMFYSA-N 2 2 302.422 1.820 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265625992 902218255 /nfs/dbraw/zinc/21/82/55/902218255.db2.gz MDRJKVLHMJAIIW-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265625992 902218268 /nfs/dbraw/zinc/21/82/68/902218268.db2.gz MDRJKVLHMJAIIW-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265653959 902257822 /nfs/dbraw/zinc/25/78/22/902257822.db2.gz KVEYAVNALNOFJR-HOTGVXAUSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265653959 902257831 /nfs/dbraw/zinc/25/78/31/902257831.db2.gz KVEYAVNALNOFJR-HOTGVXAUSA-N 2 2 302.422 1.828 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611471 904941243 /nfs/dbraw/zinc/94/12/43/904941243.db2.gz RXFGBOBVJURGBP-MSOLQXFVSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611471 904941252 /nfs/dbraw/zinc/94/12/52/904941252.db2.gz RXFGBOBVJURGBP-MSOLQXFVSA-N 2 2 313.445 1.845 20 30 DDEDLP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281820800 905242664 /nfs/dbraw/zinc/24/26/64/905242664.db2.gz SIORYRITAFCRON-HNNXBMFYSA-N 2 2 320.437 1.353 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001393522129 907209964 /nfs/dbraw/zinc/20/99/64/907209964.db2.gz CWDMWUWRMHCQEK-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001393522129 907209970 /nfs/dbraw/zinc/20/99/70/907209970.db2.gz CWDMWUWRMHCQEK-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001375174601 915184407 /nfs/dbraw/zinc/18/44/07/915184407.db2.gz KMECSGYEMTZXRY-KGLIPLIRSA-N 2 2 310.829 1.900 20 30 DDEDLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375317258 915573411 /nfs/dbraw/zinc/57/34/11/915573411.db2.gz BDNPMMPHJAZEEK-IUODEOHRSA-N 2 2 320.462 1.650 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328796303 539299034 /nfs/dbraw/zinc/29/90/34/539299034.db2.gz UQHNDGIGEDVAJF-HUUCEWRRSA-N 2 2 317.437 1.850 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328796303 539299035 /nfs/dbraw/zinc/29/90/35/539299035.db2.gz UQHNDGIGEDVAJF-HUUCEWRRSA-N 2 2 317.437 1.850 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000071072749 353191049 /nfs/dbraw/zinc/19/10/49/353191049.db2.gz ZVJDZHQGVPXWJF-UHFFFAOYSA-N 2 2 314.433 1.008 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000564988708 304033554 /nfs/dbraw/zinc/03/35/54/304033554.db2.gz CDJGLPFWGQQCHD-CYBMUJFWSA-N 2 2 307.361 1.704 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000564988708 304033556 /nfs/dbraw/zinc/03/35/56/304033556.db2.gz CDJGLPFWGQQCHD-CYBMUJFWSA-N 2 2 307.361 1.704 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161318232 354242525 /nfs/dbraw/zinc/24/25/25/354242525.db2.gz RCXNHDWMZQNYNL-KRWDZBQOSA-N 2 2 315.421 1.258 20 30 DDEDLP Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000591822247 355391617 /nfs/dbraw/zinc/39/16/17/355391617.db2.gz QRBNWJSPUYVZDL-HNNXBMFYSA-N 2 2 313.405 1.180 20 30 DDEDLP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000591822247 355391619 /nfs/dbraw/zinc/39/16/19/355391619.db2.gz QRBNWJSPUYVZDL-HNNXBMFYSA-N 2 2 313.405 1.180 20 30 DDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000592760444 355678915 /nfs/dbraw/zinc/67/89/15/355678915.db2.gz AZVYRHFUSLQADZ-CYBMUJFWSA-N 2 2 303.410 1.501 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000594438043 356214491 /nfs/dbraw/zinc/21/44/91/356214491.db2.gz MKCCFPWAUSTNJT-CVEARBPZSA-N 2 2 322.453 1.111 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599338733 357900007 /nfs/dbraw/zinc/90/00/07/357900007.db2.gz VXANIPVMPUBHOV-OAHLLOKOSA-N 2 2 306.410 1.276 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599338733 357900008 /nfs/dbraw/zinc/90/00/08/357900008.db2.gz VXANIPVMPUBHOV-OAHLLOKOSA-N 2 2 306.410 1.276 20 30 DDEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1C#N ZINC000600707186 358289063 /nfs/dbraw/zinc/28/90/63/358289063.db2.gz GUMMENFNXXFJFB-QGZVFWFLSA-N 2 2 312.417 1.263 20 30 DDEDLP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1C#N ZINC000600707186 358289065 /nfs/dbraw/zinc/28/90/65/358289065.db2.gz GUMMENFNXXFJFB-QGZVFWFLSA-N 2 2 312.417 1.263 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600723152 358296379 /nfs/dbraw/zinc/29/63/79/358296379.db2.gz JTPHVLFKYHFNLR-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000625702819 367098448 /nfs/dbraw/zinc/09/84/48/367098448.db2.gz HIQUNEPZDLVZFR-MRXNPFEDSA-N 2 2 317.433 1.822 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866553 285396188 /nfs/dbraw/zinc/39/61/88/285396188.db2.gz OKCXIRIUJGLNOM-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866553 285396189 /nfs/dbraw/zinc/39/61/89/285396189.db2.gz OKCXIRIUJGLNOM-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866553 285396190 /nfs/dbraw/zinc/39/61/90/285396190.db2.gz OKCXIRIUJGLNOM-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866553 285396191 /nfs/dbraw/zinc/39/61/91/285396191.db2.gz OKCXIRIUJGLNOM-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641407 407589322 /nfs/dbraw/zinc/58/93/22/407589322.db2.gz UHDVVRDOOUMWHU-FUHWJXTLSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641407 407589326 /nfs/dbraw/zinc/58/93/26/407589326.db2.gz UHDVVRDOOUMWHU-FUHWJXTLSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266641407 407589331 /nfs/dbraw/zinc/58/93/31/407589331.db2.gz UHDVVRDOOUMWHU-FUHWJXTLSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266641407 407589335 /nfs/dbraw/zinc/58/93/35/407589335.db2.gz UHDVVRDOOUMWHU-FUHWJXTLSA-N 2 2 313.445 1.578 20 30 DDEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000133305947 407828415 /nfs/dbraw/zinc/82/84/15/407828415.db2.gz UCSQKYUCFDTXPI-UHFFFAOYSA-N 2 2 301.434 1.585 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000180033288 407849812 /nfs/dbraw/zinc/84/98/12/407849812.db2.gz IKCFOEHDOHIXKD-HOCLYGCPSA-N 2 2 302.422 1.184 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180033288 407849820 /nfs/dbraw/zinc/84/98/20/407849820.db2.gz IKCFOEHDOHIXKD-HOCLYGCPSA-N 2 2 302.422 1.184 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000294068096 409234406 /nfs/dbraw/zinc/23/44/06/409234406.db2.gz VNNLDCBAJHBFOZ-JXMROGBWSA-N 2 2 322.412 1.957 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000294068096 409234409 /nfs/dbraw/zinc/23/44/09/409234409.db2.gz VNNLDCBAJHBFOZ-JXMROGBWSA-N 2 2 322.412 1.957 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000294747546 409297718 /nfs/dbraw/zinc/29/77/18/409297718.db2.gz XKJWSFBROPOJNH-GOSISDBHSA-N 2 2 315.461 1.872 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000294747546 409297721 /nfs/dbraw/zinc/29/77/21/409297721.db2.gz XKJWSFBROPOJNH-GOSISDBHSA-N 2 2 315.461 1.872 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331537035 409614770 /nfs/dbraw/zinc/61/47/70/409614770.db2.gz DSHLCKZLAHBMNB-IRXDYDNUSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331537035 409614773 /nfs/dbraw/zinc/61/47/73/409614773.db2.gz DSHLCKZLAHBMNB-IRXDYDNUSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331537035 409614777 /nfs/dbraw/zinc/61/47/77/409614777.db2.gz DSHLCKZLAHBMNB-IRXDYDNUSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331537035 409614783 /nfs/dbraw/zinc/61/47/83/409614783.db2.gz DSHLCKZLAHBMNB-IRXDYDNUSA-N 2 2 306.454 1.459 20 30 DDEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000367402026 418597243 /nfs/dbraw/zinc/59/72/43/418597243.db2.gz IOVPXGFCRGMWTJ-UHFFFAOYSA-N 2 2 324.428 1.421 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262008397 222269952 /nfs/dbraw/zinc/26/99/52/222269952.db2.gz WBLBVYBQDKNYMG-JYJNAYRXSA-N 3 2 318.469 1.293 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262008397 222269953 /nfs/dbraw/zinc/26/99/53/222269953.db2.gz WBLBVYBQDKNYMG-JYJNAYRXSA-N 3 2 318.469 1.293 20 30 DDEDLP C[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000262641988 222288021 /nfs/dbraw/zinc/28/80/21/222288021.db2.gz HYWSZYRNMVXJMV-HNNXBMFYSA-N 2 2 301.438 1.088 20 30 DDEDLP CCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264082257 222314779 /nfs/dbraw/zinc/31/47/79/222314779.db2.gz HSAHMYZUBODWQO-OAHLLOKOSA-N 2 2 303.454 1.511 20 30 DDEDLP COc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1OC ZINC000264116897 222320677 /nfs/dbraw/zinc/32/06/77/222320677.db2.gz QCVWAEPJMRFHTG-AWEZNQCLSA-N 2 2 322.453 1.786 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC2CCCC2)cc1 ZINC000267013067 222366782 /nfs/dbraw/zinc/36/67/82/222366782.db2.gz NLZUAQWNLWHLTG-UHFFFAOYSA-N 2 2 318.421 1.444 20 30 DDEDLP C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372222396 418846468 /nfs/dbraw/zinc/84/64/68/418846468.db2.gz NJYWUUJGVNMREA-HNNXBMFYSA-N 2 2 308.470 1.810 20 30 DDEDLP C=CCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372222396 418846470 /nfs/dbraw/zinc/84/64/70/418846470.db2.gz NJYWUUJGVNMREA-HNNXBMFYSA-N 2 2 308.470 1.810 20 30 DDEDLP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(C#N)c[nH+]1 ZINC000425246059 228398878 /nfs/dbraw/zinc/39/88/78/228398878.db2.gz KMQACUKCUOFVBY-UHFFFAOYSA-N 2 2 311.389 1.631 20 30 DDEDLP C=CCOCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010119 419803980 /nfs/dbraw/zinc/80/39/80/419803980.db2.gz BMQBMRIZZXUOIB-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CCOCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010119 419803987 /nfs/dbraw/zinc/80/39/87/419803987.db2.gz BMQBMRIZZXUOIB-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418693000 419938778 /nfs/dbraw/zinc/93/87/78/419938778.db2.gz GHUGANVXQNEMKH-ZIAGYGMSSA-N 2 2 315.421 1.121 20 30 DDEDLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000566116237 421603269 /nfs/dbraw/zinc/60/32/69/421603269.db2.gz JOBYTBCPEOKOOV-SJORKVTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000566116237 421603271 /nfs/dbraw/zinc/60/32/71/421603271.db2.gz JOBYTBCPEOKOOV-SJORKVTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000566116237 421603276 /nfs/dbraw/zinc/60/32/76/421603276.db2.gz JOBYTBCPEOKOOV-SJORKVTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000566116237 421603278 /nfs/dbraw/zinc/60/32/78/421603278.db2.gz JOBYTBCPEOKOOV-SJORKVTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000566117780 421603345 /nfs/dbraw/zinc/60/33/45/421603345.db2.gz XHMWPJUHZOBQMN-SJORKVTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000566117780 421603348 /nfs/dbraw/zinc/60/33/48/421603348.db2.gz XHMWPJUHZOBQMN-SJORKVTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@H+](C)CCC#N ZINC000566117780 421603352 /nfs/dbraw/zinc/60/33/52/421603352.db2.gz XHMWPJUHZOBQMN-SJORKVTESA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@H](O)C[N@@H+](C)CCC#N ZINC000566117780 421603354 /nfs/dbraw/zinc/60/33/54/421603354.db2.gz XHMWPJUHZOBQMN-SJORKVTESA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000575796626 422326497 /nfs/dbraw/zinc/32/64/97/422326497.db2.gz FRDKSARAYDIECO-IIDMSEBBSA-N 2 2 317.433 1.160 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000344270976 266485668 /nfs/dbraw/zinc/48/56/68/266485668.db2.gz UDZSEWLNFFGLNZ-UHFFFAOYSA-N 2 2 320.462 1.652 20 30 DDEDLP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000577482295 308391162 /nfs/dbraw/zinc/39/11/62/308391162.db2.gz RBGUMYKQRZIRCB-IAOVAPTHSA-N 2 2 312.417 1.784 20 30 DDEDLP N#CCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310033301 333216337 /nfs/dbraw/zinc/21/63/37/333216337.db2.gz YZDPGZPYIFZAKO-IAGOWNOFSA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310033301 333216338 /nfs/dbraw/zinc/21/63/38/333216338.db2.gz YZDPGZPYIFZAKO-IAGOWNOFSA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310033301 333216339 /nfs/dbraw/zinc/21/63/39/333216339.db2.gz YZDPGZPYIFZAKO-IAGOWNOFSA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310033301 333216341 /nfs/dbraw/zinc/21/63/41/333216341.db2.gz YZDPGZPYIFZAKO-IAGOWNOFSA-N 2 2 312.417 1.080 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247548711 341367293 /nfs/dbraw/zinc/36/72/93/341367293.db2.gz PRTRKQWERGEJDJ-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247548711 341367294 /nfs/dbraw/zinc/36/72/94/341367294.db2.gz PRTRKQWERGEJDJ-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247548711 341367295 /nfs/dbraw/zinc/36/72/95/341367295.db2.gz PRTRKQWERGEJDJ-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247548711 341367296 /nfs/dbraw/zinc/36/72/96/341367296.db2.gz PRTRKQWERGEJDJ-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568173843 341656517 /nfs/dbraw/zinc/65/65/17/341656517.db2.gz GURFQJPQWZNUNR-GDBMZVCRSA-N 2 2 322.840 1.903 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000577622593 341924655 /nfs/dbraw/zinc/92/46/55/341924655.db2.gz HOFZWUYJULHKNP-QGZVFWFLSA-N 2 2 315.417 1.721 20 30 DDEDLP C=CCOCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435571702 526689321 /nfs/dbraw/zinc/68/93/21/526689321.db2.gz XZMBBLGRMNZQLZ-AWEZNQCLSA-N 2 2 318.421 1.093 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000491639891 526950488 /nfs/dbraw/zinc/95/04/88/526950488.db2.gz ZASSWINGVBIPHE-ZDUSSCGKSA-N 2 2 319.371 1.330 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000491659555 526983798 /nfs/dbraw/zinc/98/37/98/526983798.db2.gz IPGNNPXBNZPHHB-GOSISDBHSA-N 2 2 313.445 1.626 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000491659555 526983802 /nfs/dbraw/zinc/98/38/02/526983802.db2.gz IPGNNPXBNZPHHB-GOSISDBHSA-N 2 2 313.445 1.626 20 30 DDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)nn1 ZINC000424295561 527373490 /nfs/dbraw/zinc/37/34/90/527373490.db2.gz MZKPYLAMHZQOIV-DOTOQJQBSA-N 2 2 321.469 1.691 20 30 DDEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)nn1 ZINC000424295561 527373498 /nfs/dbraw/zinc/37/34/98/527373498.db2.gz MZKPYLAMHZQOIV-DOTOQJQBSA-N 2 2 321.469 1.691 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000345504885 527649986 /nfs/dbraw/zinc/64/99/86/527649986.db2.gz FDVUWEOWGJCSKP-ZIAGYGMSSA-N 2 2 315.408 1.798 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810722 695100166 /nfs/dbraw/zinc/10/01/66/695100166.db2.gz GQYKMGDXMTXLQT-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971810722 695100169 /nfs/dbraw/zinc/10/01/69/695100169.db2.gz GQYKMGDXMTXLQT-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972662520 695312523 /nfs/dbraw/zinc/31/25/23/695312523.db2.gz PMNAKEKLZJFSHP-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972662520 695312525 /nfs/dbraw/zinc/31/25/25/695312525.db2.gz PMNAKEKLZJFSHP-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749064 695725660 /nfs/dbraw/zinc/72/56/60/695725660.db2.gz GMTLOFOHTIIZAR-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749064 695725662 /nfs/dbraw/zinc/72/56/62/695725662.db2.gz GMTLOFOHTIIZAR-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756076 695727386 /nfs/dbraw/zinc/72/73/86/695727386.db2.gz YOGFJDQFXMLQOI-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756076 695727388 /nfs/dbraw/zinc/72/73/88/695727388.db2.gz YOGFJDQFXMLQOI-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756076 695727389 /nfs/dbraw/zinc/72/73/89/695727389.db2.gz YOGFJDQFXMLQOI-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756076 695727392 /nfs/dbraw/zinc/72/73/92/695727392.db2.gz YOGFJDQFXMLQOI-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000104158966 696619037 /nfs/dbraw/zinc/61/90/37/696619037.db2.gz IOFRATWQEYOBHK-ZIAGYGMSSA-N 2 2 314.474 1.205 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981385861 697081630 /nfs/dbraw/zinc/08/16/30/697081630.db2.gz PZWRMFUYFUYMLN-HOTGVXAUSA-N 2 2 324.428 1.835 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981487467 697109972 /nfs/dbraw/zinc/10/99/72/697109972.db2.gz RIGGLTSIIPYWQG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981487467 697109974 /nfs/dbraw/zinc/10/99/74/697109974.db2.gz RIGGLTSIIPYWQG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986298074 697771143 /nfs/dbraw/zinc/77/11/43/697771143.db2.gz XIPUOIGGBYOBSP-GOEBONIOSA-N 2 2 316.449 1.917 20 30 DDEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305213904 698641527 /nfs/dbraw/zinc/64/15/27/698641527.db2.gz QOJJSFLETKEXFT-HNNXBMFYSA-N 2 2 317.433 1.866 20 30 DDEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305213904 698641531 /nfs/dbraw/zinc/64/15/31/698641531.db2.gz QOJJSFLETKEXFT-HNNXBMFYSA-N 2 2 317.433 1.866 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989558430 698666791 /nfs/dbraw/zinc/66/67/91/698666791.db2.gz MWVLELKEUGWRMZ-LSDHHAIUSA-N 2 2 312.417 1.950 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000744431531 699948856 /nfs/dbraw/zinc/94/88/56/699948856.db2.gz LFQRDNLFKCRKAJ-UHFFFAOYSA-N 2 2 317.433 1.903 20 30 DDEDLP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1O ZINC000866231299 706655707 /nfs/dbraw/zinc/65/57/07/706655707.db2.gz WAFCVKMGELXVFO-HNNXBMFYSA-N 2 2 316.449 1.942 20 30 DDEDLP C=CCNC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817568046 702412715 /nfs/dbraw/zinc/41/27/15/702412715.db2.gz YSXHSTJLJRJVAZ-UHFFFAOYSA-N 2 2 310.511 1.539 20 30 DDEDLP C=CCNC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817568046 702412719 /nfs/dbraw/zinc/41/27/19/702412719.db2.gz YSXHSTJLJRJVAZ-UHFFFAOYSA-N 2 2 310.511 1.539 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708521 704103816 /nfs/dbraw/zinc/10/38/16/704103816.db2.gz CUZDDYPCJUMMJR-MSOLQXFVSA-N 2 2 315.417 1.123 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708521 704103818 /nfs/dbraw/zinc/10/38/18/704103818.db2.gz CUZDDYPCJUMMJR-MSOLQXFVSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356377 704524240 /nfs/dbraw/zinc/52/42/40/704524240.db2.gz ZCKPRJSHIJOTQQ-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000856356377 704524241 /nfs/dbraw/zinc/52/42/41/704524241.db2.gz ZCKPRJSHIJOTQQ-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000856356377 704524242 /nfs/dbraw/zinc/52/42/42/704524242.db2.gz ZCKPRJSHIJOTQQ-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000856356377 704524243 /nfs/dbraw/zinc/52/42/43/704524243.db2.gz ZCKPRJSHIJOTQQ-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000857114353 704552921 /nfs/dbraw/zinc/55/29/21/704552921.db2.gz SILQELCSLCXLRH-AWEZNQCLSA-N 2 2 315.421 1.123 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCn1cc[nH+]c1 ZINC000876707949 705829683 /nfs/dbraw/zinc/82/96/83/705829683.db2.gz UGKMDCCOWQZODK-INIZCTEOSA-N 2 2 309.373 1.148 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876709503 705831306 /nfs/dbraw/zinc/83/13/06/705831306.db2.gz SPVQLGYYCZALDC-HNNXBMFYSA-N 2 2 323.824 1.927 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876722806 705839223 /nfs/dbraw/zinc/83/92/23/705839223.db2.gz FMVBFLKYXKUGOX-QGZVFWFLSA-N 2 2 323.400 1.457 20 30 DDEDLP CCNC(NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)=[NH+]CC ZINC000864358183 706146904 /nfs/dbraw/zinc/14/69/04/706146904.db2.gz NTMBGDPYPYPUQP-UHFFFAOYSA-N 2 2 312.458 1.368 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000877747417 706197401 /nfs/dbraw/zinc/19/74/01/706197401.db2.gz KSYAXJVLRAPPMQ-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865451326 706435462 /nfs/dbraw/zinc/43/54/62/706435462.db2.gz YSYARCPMOUEMEM-IAGOWNOFSA-N 2 2 314.433 1.577 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865451326 706435464 /nfs/dbraw/zinc/43/54/64/706435464.db2.gz YSYARCPMOUEMEM-IAGOWNOFSA-N 2 2 314.433 1.577 20 30 DDEDLP C#C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021488 710542765 /nfs/dbraw/zinc/54/27/65/710542765.db2.gz GHGVRNPAYBSKIY-HOTGVXAUSA-N 2 2 318.465 1.352 20 30 DDEDLP C#C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021488 710542767 /nfs/dbraw/zinc/54/27/67/710542767.db2.gz GHGVRNPAYBSKIY-HOTGVXAUSA-N 2 2 318.465 1.352 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923400672 714342904 /nfs/dbraw/zinc/34/29/04/714342904.db2.gz XLZONNFOOCXXDO-ZBFHGGJFSA-N 2 2 301.390 1.172 20 30 DDEDLP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000925119811 714752627 /nfs/dbraw/zinc/75/26/27/714752627.db2.gz ZGXMCJZLVSLGJK-HNNXBMFYSA-N 2 2 303.406 1.761 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960648612 716645935 /nfs/dbraw/zinc/64/59/35/716645935.db2.gz NRXGCCOUSNNDFL-OJLVUWQFSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960648612 716645939 /nfs/dbraw/zinc/64/59/39/716645939.db2.gz NRXGCCOUSNNDFL-OJLVUWQFSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850944 716992203 /nfs/dbraw/zinc/99/22/03/716992203.db2.gz QIIBPPURQHHVNU-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850944 716992207 /nfs/dbraw/zinc/99/22/07/716992207.db2.gz QIIBPPURQHHVNU-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942064431 717459823 /nfs/dbraw/zinc/45/98/23/717459823.db2.gz RRQYZESXQKGMOQ-ZBFHGGJFSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942064431 717459824 /nfs/dbraw/zinc/45/98/24/717459824.db2.gz RRQYZESXQKGMOQ-ZBFHGGJFSA-N 2 2 314.433 1.222 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571079 718837546 /nfs/dbraw/zinc/83/75/46/718837546.db2.gz QHEGARBJCUXCDQ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571079 718837548 /nfs/dbraw/zinc/83/75/48/718837548.db2.gz QHEGARBJCUXCDQ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052709 719344270 /nfs/dbraw/zinc/34/42/70/719344270.db2.gz JGNVBLRZSBPVDY-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052709 719344273 /nfs/dbraw/zinc/34/42/73/719344273.db2.gz JGNVBLRZSBPVDY-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948899198 719773359 /nfs/dbraw/zinc/77/33/59/719773359.db2.gz RBNUUVOJKVAFRE-MSOLQXFVSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948899198 719773360 /nfs/dbraw/zinc/77/33/60/719773360.db2.gz RBNUUVOJKVAFRE-MSOLQXFVSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899198 719773361 /nfs/dbraw/zinc/77/33/61/719773361.db2.gz RBNUUVOJKVAFRE-MSOLQXFVSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899198 719773365 /nfs/dbraw/zinc/77/33/65/719773365.db2.gz RBNUUVOJKVAFRE-MSOLQXFVSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC ZINC000968894016 719848113 /nfs/dbraw/zinc/84/81/13/719848113.db2.gz XQOJWTOFBHPAMA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC ZINC000968894016 719848121 /nfs/dbraw/zinc/84/81/21/719848121.db2.gz XQOJWTOFBHPAMA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC ZINC000968894016 719848129 /nfs/dbraw/zinc/84/81/29/719848129.db2.gz XQOJWTOFBHPAMA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC ZINC000968894016 719848138 /nfs/dbraw/zinc/84/81/38/719848138.db2.gz XQOJWTOFBHPAMA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037848 719934182 /nfs/dbraw/zinc/93/41/82/719934182.db2.gz NHMZCZMNDUKKME-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969037848 719934186 /nfs/dbraw/zinc/93/41/86/719934186.db2.gz NHMZCZMNDUKKME-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000969518687 720172172 /nfs/dbraw/zinc/17/21/72/720172172.db2.gz PJZLKNVTCOCQQP-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C/C=C\Cl)C1 ZINC000969866717 720540744 /nfs/dbraw/zinc/54/07/44/720540744.db2.gz ZMRQGUAVIHPFJH-DOMBMUJNSA-N 2 2 309.841 1.273 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C/C=C\Cl)C1 ZINC000969866717 720540745 /nfs/dbraw/zinc/54/07/45/720540745.db2.gz ZMRQGUAVIHPFJH-DOMBMUJNSA-N 2 2 309.841 1.273 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992306 720589446 /nfs/dbraw/zinc/58/94/46/720589446.db2.gz KKJMIIXIEAIRFF-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012728 720598237 /nfs/dbraw/zinc/59/82/37/720598237.db2.gz NFLPKMQTVJAPEL-LBPRGKRZSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950704772 720741049 /nfs/dbraw/zinc/74/10/49/720741049.db2.gz BIOZXYGOWYRBEF-KRWDZBQOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950704772 720741052 /nfs/dbraw/zinc/74/10/52/720741052.db2.gz BIOZXYGOWYRBEF-KRWDZBQOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600601 735335866 /nfs/dbraw/zinc/33/58/66/735335866.db2.gz HNWSFPKFAKXJNW-BZUAXINKSA-N 2 2 314.433 1.375 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600601 735335870 /nfs/dbraw/zinc/33/58/70/735335870.db2.gz HNWSFPKFAKXJNW-BZUAXINKSA-N 2 2 314.433 1.375 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027581935 738432051 /nfs/dbraw/zinc/43/20/51/738432051.db2.gz IAANEILDRNSFJH-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027581935 738432054 /nfs/dbraw/zinc/43/20/54/738432054.db2.gz IAANEILDRNSFJH-RBSFLKMASA-N 2 2 302.422 1.632 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752899 733513935 /nfs/dbraw/zinc/51/39/35/733513935.db2.gz AICLMYWISJLNMM-LSDHHAIUSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021752899 733513937 /nfs/dbraw/zinc/51/39/37/733513937.db2.gz AICLMYWISJLNMM-LSDHHAIUSA-N 2 2 322.840 1.949 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001022492851 734566488 /nfs/dbraw/zinc/56/64/88/734566488.db2.gz JPPZWYNRRZWRBD-OWCLPIDISA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001022492851 734566491 /nfs/dbraw/zinc/56/64/91/734566491.db2.gz JPPZWYNRRZWRBD-OWCLPIDISA-N 2 2 309.454 1.300 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512090 735887696 /nfs/dbraw/zinc/88/76/96/735887696.db2.gz RFHCPZYIQFKTPA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512090 735887699 /nfs/dbraw/zinc/88/76/99/735887699.db2.gz RFHCPZYIQFKTPA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024522091 735897942 /nfs/dbraw/zinc/89/79/42/735897942.db2.gz ZOXWKXJMFCKUTG-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024522091 735897948 /nfs/dbraw/zinc/89/79/48/735897948.db2.gz ZOXWKXJMFCKUTG-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763796 736074833 /nfs/dbraw/zinc/07/48/33/736074833.db2.gz KSNSMYBBNPNQHI-AWEZNQCLSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763796 736074837 /nfs/dbraw/zinc/07/48/37/736074837.db2.gz KSNSMYBBNPNQHI-AWEZNQCLSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461278 736691376 /nfs/dbraw/zinc/69/13/76/736691376.db2.gz RUAPFQVNKWKOCA-UONOGXRCSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461278 736691379 /nfs/dbraw/zinc/69/13/79/736691379.db2.gz RUAPFQVNKWKOCA-UONOGXRCSA-N 2 2 320.437 1.753 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482886 736717778 /nfs/dbraw/zinc/71/77/78/736717778.db2.gz RWBCNXNNWSSXQE-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482886 736717779 /nfs/dbraw/zinc/71/77/79/736717779.db2.gz RWBCNXNNWSSXQE-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702777 736774662 /nfs/dbraw/zinc/77/46/62/736774662.db2.gz FGSVUKSYZVKDOA-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702777 736774665 /nfs/dbraw/zinc/77/46/65/736774665.db2.gz FGSVUKSYZVKDOA-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001027091247 738051368 /nfs/dbraw/zinc/05/13/68/738051368.db2.gz IBUDIAZRBKLNCQ-INIZCTEOSA-N 2 2 323.400 1.462 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976833 751436184 /nfs/dbraw/zinc/43/61/84/751436184.db2.gz OGMLHIRSMZRDQM-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976833 751436186 /nfs/dbraw/zinc/43/61/86/751436186.db2.gz OGMLHIRSMZRDQM-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997976833 751436189 /nfs/dbraw/zinc/43/61/89/751436189.db2.gz OGMLHIRSMZRDQM-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976833 751436192 /nfs/dbraw/zinc/43/61/92/751436192.db2.gz OGMLHIRSMZRDQM-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487122 751539845 /nfs/dbraw/zinc/53/98/45/751539845.db2.gz JIDXCZXKYBVTHX-HNNXBMFYSA-N 2 2 321.421 1.348 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487122 751539849 /nfs/dbraw/zinc/53/98/49/751539849.db2.gz JIDXCZXKYBVTHX-HNNXBMFYSA-N 2 2 321.421 1.348 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631396 740684376 /nfs/dbraw/zinc/68/43/76/740684376.db2.gz YGHBAZGZSYOBEC-UKPHBRMFSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631396 740684377 /nfs/dbraw/zinc/68/43/77/740684377.db2.gz YGHBAZGZSYOBEC-UKPHBRMFSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631396 740684378 /nfs/dbraw/zinc/68/43/78/740684378.db2.gz YGHBAZGZSYOBEC-UKPHBRMFSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631396 740684379 /nfs/dbraw/zinc/68/43/79/740684379.db2.gz YGHBAZGZSYOBEC-UKPHBRMFSA-N 2 2 316.449 1.978 20 30 DDEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537174 751582001 /nfs/dbraw/zinc/58/20/01/751582001.db2.gz MEDYAMDQMCLPJK-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537174 751582008 /nfs/dbraw/zinc/58/20/08/751582008.db2.gz MEDYAMDQMCLPJK-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537174 751582021 /nfs/dbraw/zinc/58/20/21/751582021.db2.gz MEDYAMDQMCLPJK-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537174 751582031 /nfs/dbraw/zinc/58/20/31/751582031.db2.gz MEDYAMDQMCLPJK-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001037988637 751629581 /nfs/dbraw/zinc/62/95/81/751629581.db2.gz AXQYHQXBHHSJKI-UONOGXRCSA-N 2 2 310.829 1.852 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822840 742462400 /nfs/dbraw/zinc/46/24/00/742462400.db2.gz KATALPJZJGMDLL-HIFRSBDPSA-N 2 2 303.406 1.557 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822840 742462412 /nfs/dbraw/zinc/46/24/12/742462412.db2.gz KATALPJZJGMDLL-HIFRSBDPSA-N 2 2 303.406 1.557 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182757529 743706759 /nfs/dbraw/zinc/70/67/59/743706759.db2.gz BUGNEZKRWZALAM-IAQYHMDHSA-N 2 2 310.829 1.779 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182863958 743740442 /nfs/dbraw/zinc/74/04/42/743740442.db2.gz SGSFABLSHWPFJI-HDMKZQKVSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182863958 743740448 /nfs/dbraw/zinc/74/04/48/743740448.db2.gz SGSFABLSHWPFJI-HDMKZQKVSA-N 2 2 316.449 1.686 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001105734382 743768430 /nfs/dbraw/zinc/76/84/30/743768430.db2.gz OSFFBTOWDOHQAD-UHFFFAOYSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001105734382 743768435 /nfs/dbraw/zinc/76/84/35/743768435.db2.gz OSFFBTOWDOHQAD-UHFFFAOYSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183561172 743856522 /nfs/dbraw/zinc/85/65/22/743856522.db2.gz DDMJBROEIAHGQV-OAHLLOKOSA-N 2 2 320.437 1.320 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184798718 744102595 /nfs/dbraw/zinc/10/25/95/744102595.db2.gz JQRQLXBPBPCXQI-GJZGRUSLSA-N 2 2 310.401 1.655 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064491 744320427 /nfs/dbraw/zinc/32/04/27/744320427.db2.gz ACGVJSUDCPAZDG-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001030959955 744964250 /nfs/dbraw/zinc/96/42/50/744964250.db2.gz HATYCMDOLYNXIY-AWEZNQCLSA-N 2 2 302.422 1.521 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153659 745134926 /nfs/dbraw/zinc/13/49/26/745134926.db2.gz NEDJBPCZWNPODZ-HUUCEWRRSA-N 2 2 314.433 1.079 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546322 745247994 /nfs/dbraw/zinc/24/79/94/745247994.db2.gz FKLAVSVYJZOYAP-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546322 745247999 /nfs/dbraw/zinc/24/79/99/745247999.db2.gz FKLAVSVYJZOYAP-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546322 745248000 /nfs/dbraw/zinc/24/80/00/745248000.db2.gz FKLAVSVYJZOYAP-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546322 745248004 /nfs/dbraw/zinc/24/80/04/745248004.db2.gz FKLAVSVYJZOYAP-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901024 745354904 /nfs/dbraw/zinc/35/49/04/745354904.db2.gz STSSZTHODKMVHK-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190901024 745354907 /nfs/dbraw/zinc/35/49/07/745354907.db2.gz STSSZTHODKMVHK-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010253 745404178 /nfs/dbraw/zinc/40/41/78/745404178.db2.gz JYMIAXLSUXHJLP-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010253 745404180 /nfs/dbraw/zinc/40/41/80/745404180.db2.gz JYMIAXLSUXHJLP-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001194118895 746279421 /nfs/dbraw/zinc/27/94/21/746279421.db2.gz KTLGPIZWASOXPS-HZPDHXFCSA-N 2 2 314.389 1.304 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381919 752118904 /nfs/dbraw/zinc/11/89/04/752118904.db2.gz IVUWYBFNYNRIBF-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381919 752118909 /nfs/dbraw/zinc/11/89/09/752118909.db2.gz IVUWYBFNYNRIBF-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007495020 752172155 /nfs/dbraw/zinc/17/21/55/752172155.db2.gz HHSAZUHQDSMHFU-CABCVRRESA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007495020 752172161 /nfs/dbraw/zinc/17/21/61/752172161.db2.gz HHSAZUHQDSMHFU-CABCVRRESA-N 2 2 300.406 1.364 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1OC ZINC001199016123 747671463 /nfs/dbraw/zinc/67/14/63/747671463.db2.gz BADFJTJNAPWYJW-HNNXBMFYSA-N 2 2 314.389 1.525 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321236 748477877 /nfs/dbraw/zinc/47/78/77/748477877.db2.gz JDZXGUMDHCBEAW-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201391254 748506061 /nfs/dbraw/zinc/50/60/61/748506061.db2.gz ZGIQYLNZKZMYPD-KBPBESRZSA-N 2 2 318.421 1.223 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525707 748540865 /nfs/dbraw/zinc/54/08/65/748540865.db2.gz UOONMFYCJQQEEU-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885443 748693776 /nfs/dbraw/zinc/69/37/76/748693776.db2.gz GNAUQNQMDCFKFV-ORQFMDKSSA-N 2 2 314.433 1.317 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885443 748693783 /nfs/dbraw/zinc/69/37/83/748693783.db2.gz GNAUQNQMDCFKFV-ORQFMDKSSA-N 2 2 314.433 1.317 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033194423 748859349 /nfs/dbraw/zinc/85/93/49/748859349.db2.gz ZIXVPVPKTYPSKQ-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001033194423 748859354 /nfs/dbraw/zinc/85/93/54/748859354.db2.gz ZIXVPVPKTYPSKQ-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201450 748910326 /nfs/dbraw/zinc/91/03/26/748910326.db2.gz DACHBVHICLFJDM-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201450 748910331 /nfs/dbraw/zinc/91/03/31/748910331.db2.gz DACHBVHICLFJDM-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254740 749065717 /nfs/dbraw/zinc/06/57/17/749065717.db2.gz GDUCOWDBPMPJSS-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254740 749065719 /nfs/dbraw/zinc/06/57/19/749065719.db2.gz GDUCOWDBPMPJSS-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980655 749314223 /nfs/dbraw/zinc/31/42/23/749314223.db2.gz QRTUWNXKUSPTOL-CJNGLKHVSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980655 749314225 /nfs/dbraw/zinc/31/42/25/749314225.db2.gz QRTUWNXKUSPTOL-CJNGLKHVSA-N 2 2 314.433 1.283 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878181 750018603 /nfs/dbraw/zinc/01/86/03/750018603.db2.gz NYMRYDBEHQBCRX-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878181 750018606 /nfs/dbraw/zinc/01/86/06/750018606.db2.gz NYMRYDBEHQBCRX-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646149 750107361 /nfs/dbraw/zinc/10/73/61/750107361.db2.gz RWLBXWDIXZNUDK-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001095646149 750107367 /nfs/dbraw/zinc/10/73/67/750107367.db2.gz RWLBXWDIXZNUDK-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932930 750155209 /nfs/dbraw/zinc/15/52/09/750155209.db2.gz UQXDUTPPFVUBKV-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932930 750155212 /nfs/dbraw/zinc/15/52/12/750155212.db2.gz UQXDUTPPFVUBKV-SJORKVTESA-N 2 2 321.465 1.042 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948494 750168836 /nfs/dbraw/zinc/16/88/36/750168836.db2.gz ACOVDMLZWQQSBY-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948494 750168841 /nfs/dbraw/zinc/16/88/41/750168841.db2.gz ACOVDMLZWQQSBY-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948775 750169839 /nfs/dbraw/zinc/16/98/39/750169839.db2.gz CEBAGYKNEGJFCC-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948775 750169843 /nfs/dbraw/zinc/16/98/43/750169843.db2.gz CEBAGYKNEGJFCC-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCF)CC1 ZINC000997148655 750577205 /nfs/dbraw/zinc/57/72/05/750577205.db2.gz HFFRVCKNFVHKJN-ZBFHGGJFSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCF)CC1 ZINC000997148655 750577208 /nfs/dbraw/zinc/57/72/08/750577208.db2.gz HFFRVCKNFVHKJN-ZBFHGGJFSA-N 2 2 309.429 1.270 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416795 750691745 /nfs/dbraw/zinc/69/17/45/750691745.db2.gz MSOIXRQEVUDQLE-HOTGVXAUSA-N 2 2 314.433 1.623 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416795 750691751 /nfs/dbraw/zinc/69/17/51/750691751.db2.gz MSOIXRQEVUDQLE-HOTGVXAUSA-N 2 2 314.433 1.623 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005639912 750734721 /nfs/dbraw/zinc/73/47/21/750734721.db2.gz RHGKKCZFRXGEFV-UHFFFAOYSA-N 2 2 306.410 1.459 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942906 750773245 /nfs/dbraw/zinc/77/32/45/750773245.db2.gz XTSCSWVWPCYHRQ-WBVHZDCISA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942906 750773249 /nfs/dbraw/zinc/77/32/49/750773249.db2.gz XTSCSWVWPCYHRQ-WBVHZDCISA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942906 750773252 /nfs/dbraw/zinc/77/32/52/750773252.db2.gz XTSCSWVWPCYHRQ-WBVHZDCISA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942906 750773254 /nfs/dbraw/zinc/77/32/54/750773254.db2.gz XTSCSWVWPCYHRQ-WBVHZDCISA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685780 762091009 /nfs/dbraw/zinc/09/10/09/762091009.db2.gz BJOISSJLSBOZRD-MRXNPFEDSA-N 2 2 323.868 1.829 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685780 762091018 /nfs/dbraw/zinc/09/10/18/762091018.db2.gz BJOISSJLSBOZRD-MRXNPFEDSA-N 2 2 323.868 1.829 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032535010 751215981 /nfs/dbraw/zinc/21/59/81/751215981.db2.gz PAVHQGCUEDUJSR-GJZGRUSLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032535010 751215986 /nfs/dbraw/zinc/21/59/86/751215986.db2.gz PAVHQGCUEDUJSR-GJZGRUSLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114859542 751248990 /nfs/dbraw/zinc/24/89/90/751248990.db2.gz RFVMLZXVKZBKCU-NPCUJANDSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001114859542 751248992 /nfs/dbraw/zinc/24/89/92/751248992.db2.gz RFVMLZXVKZBKCU-NPCUJANDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC ZINC001039648273 762146868 /nfs/dbraw/zinc/14/68/68/762146868.db2.gz FZGMGRWXJIYUFB-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039648273 762146872 /nfs/dbraw/zinc/14/68/72/762146872.db2.gz FZGMGRWXJIYUFB-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039648273 762146876 /nfs/dbraw/zinc/14/68/76/762146876.db2.gz FZGMGRWXJIYUFB-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039648273 762146879 /nfs/dbraw/zinc/14/68/79/762146879.db2.gz FZGMGRWXJIYUFB-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP N#Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C(F)(F)F ZINC001169071807 762218895 /nfs/dbraw/zinc/21/88/95/762218895.db2.gz MKUCBFNKOIZYTO-SECBINFHSA-N 2 2 311.267 1.020 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006018794 753512722 /nfs/dbraw/zinc/51/27/22/753512722.db2.gz IWLHLMZQXKCZMS-HZPDHXFCSA-N 2 2 314.433 1.470 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854670 762270836 /nfs/dbraw/zinc/27/08/36/762270836.db2.gz MBTNSFRMKXQJGZ-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854670 762270841 /nfs/dbraw/zinc/27/08/41/762270841.db2.gz MBTNSFRMKXQJGZ-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993233 755668797 /nfs/dbraw/zinc/66/87/97/755668797.db2.gz BVULFGBUQIMUMR-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993233 755668802 /nfs/dbraw/zinc/66/88/02/755668802.db2.gz BVULFGBUQIMUMR-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993233 755668805 /nfs/dbraw/zinc/66/88/05/755668805.db2.gz BVULFGBUQIMUMR-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993233 755668807 /nfs/dbraw/zinc/66/88/07/755668807.db2.gz 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/nfs/dbraw/zinc/73/93/05/840739305.db2.gz MRINGNCKCLXXIB-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001271277050 843462536 /nfs/dbraw/zinc/46/25/36/843462536.db2.gz DMKIBIFELSLJOM-CVEARBPZSA-N 2 2 316.449 1.589 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001271638986 843748968 /nfs/dbraw/zinc/74/89/68/843748968.db2.gz JDPARBQFGOWVLU-CABCVRRESA-N 2 2 310.401 1.655 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001271753721 843840785 /nfs/dbraw/zinc/84/07/85/843840785.db2.gz ZQSLIQZYIHUKKO-WBVHZDCISA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277733 848234699 /nfs/dbraw/zinc/23/46/99/848234699.db2.gz CYDSLDNZIKLBHE-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277733 848234706 /nfs/dbraw/zinc/23/47/06/848234706.db2.gz CYDSLDNZIKLBHE-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281904 848247690 /nfs/dbraw/zinc/24/76/90/848247690.db2.gz LMKMGBJXIPOGDU-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281904 848247701 /nfs/dbraw/zinc/24/77/01/848247701.db2.gz LMKMGBJXIPOGDU-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001273529475 851062393 /nfs/dbraw/zinc/06/23/93/851062393.db2.gz HHYBGWILRPKJAF-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001273529475 851062408 /nfs/dbraw/zinc/06/24/08/851062408.db2.gz HHYBGWILRPKJAF-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1CC#N ZINC001156185140 862790194 /nfs/dbraw/zinc/79/01/94/862790194.db2.gz OGXCCKDJMYGLSV-UHFFFAOYSA-N 2 2 301.438 1.894 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328288357 862868150 /nfs/dbraw/zinc/86/81/50/862868150.db2.gz ZMGQCCJATYTGBV-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328288357 862868159 /nfs/dbraw/zinc/86/81/59/862868159.db2.gz ZMGQCCJATYTGBV-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001329707055 863802095 /nfs/dbraw/zinc/80/20/95/863802095.db2.gz AONJJZFCBFTBLU-CYBMUJFWSA-N 2 2 320.437 1.168 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001332145788 865611476 /nfs/dbraw/zinc/61/14/76/865611476.db2.gz KQGGZMIOUPZFAK-RBSFLKMASA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001332273328 865717025 /nfs/dbraw/zinc/71/70/25/865717025.db2.gz WFEWAZYNCVGJPP-DZGCQCFKSA-N 2 2 301.390 1.140 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001332329788 865766410 /nfs/dbraw/zinc/76/64/10/865766410.db2.gz QUPPVERPWBUGSV-CABCVRRESA-N 2 2 304.438 1.803 20 30 DDEDLP CC#CC[NH2+][C@H](CNC(=O)Cc1c[nH+]ccc1OC)C(C)C ZINC001319920965 866383017 /nfs/dbraw/zinc/38/30/17/866383017.db2.gz ACMLOGOBAUOIFO-OAHLLOKOSA-N 2 2 303.406 1.386 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)c12 ZINC001161281520 866488522 /nfs/dbraw/zinc/48/85/22/866488522.db2.gz RJFVLLIVRDVXGY-JOCQHMNTSA-N 2 2 311.389 1.910 20 30 DDEDLP CC#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001333230985 866544582 /nfs/dbraw/zinc/54/45/82/866544582.db2.gz DLHPFSOUMXNLHB-UHFFFAOYSA-N 2 2 320.437 1.015 20 30 DDEDLP COc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1C#N ZINC001164206975 869013435 /nfs/dbraw/zinc/01/34/35/869013435.db2.gz NWNCKRRAJITTTQ-UHFFFAOYSA-N 2 2 303.410 1.400 20 30 DDEDLP C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C#N)CC[NH+](C)CC1 ZINC001164213227 869023052 /nfs/dbraw/zinc/02/30/52/869023052.db2.gz PYGHHTZVHJMWNI-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164492216 869232488 /nfs/dbraw/zinc/23/24/88/869232488.db2.gz XROKICRTBXFMAG-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164492216 869232505 /nfs/dbraw/zinc/23/25/05/869232505.db2.gz XROKICRTBXFMAG-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138266 869863697 /nfs/dbraw/zinc/86/36/97/869863697.db2.gz HHTKCRWBXQPPDX-UHFFFAOYSA-N 2 2 310.401 1.847 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166335172 869959225 /nfs/dbraw/zinc/95/92/25/869959225.db2.gz NLVXHPZGDJXZGI-UHFFFAOYSA-N 2 2 304.438 1.805 20 30 DDEDLP C#CC[NH+]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204270796 871027625 /nfs/dbraw/zinc/02/76/25/871027625.db2.gz ZXRNOAJXWOBGMK-UHFFFAOYSA-N 2 2 315.461 1.768 20 30 DDEDLP C=CC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001317551311 871051780 /nfs/dbraw/zinc/05/17/80/871051780.db2.gz KILVMERILALIHR-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001317551311 871051797 /nfs/dbraw/zinc/05/17/97/871051797.db2.gz KILVMERILALIHR-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCOCC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001317612334 871199537 /nfs/dbraw/zinc/19/95/37/871199537.db2.gz WXNPFMDOFIAPQW-UHFFFAOYSA-N 2 2 305.422 1.871 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317842393 871579215 /nfs/dbraw/zinc/57/92/15/871579215.db2.gz QJWBWGMZSBNLGF-HNNXBMFYSA-N 2 2 317.433 1.989 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317842393 871579227 /nfs/dbraw/zinc/57/92/27/871579227.db2.gz QJWBWGMZSBNLGF-HNNXBMFYSA-N 2 2 317.433 1.989 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341677050 871769966 /nfs/dbraw/zinc/76/99/66/871769966.db2.gz ISFHWFJHSREFFK-KRWDZBQOSA-N 3 2 322.497 1.345 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001316879724 872194487 /nfs/dbraw/zinc/19/44/87/872194487.db2.gz KSIQBBXHYMIRGN-HOCLYGCPSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696796 882593743 /nfs/dbraw/zinc/59/37/43/882593743.db2.gz NOKYVGSDYPJOBO-HZPDHXFCSA-N 2 2 320.437 1.562 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696796 882593749 /nfs/dbraw/zinc/59/37/49/882593749.db2.gz NOKYVGSDYPJOBO-HZPDHXFCSA-N 2 2 320.437 1.562 20 30 DDEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316918031 872357392 /nfs/dbraw/zinc/35/73/92/872357392.db2.gz NRZMPDBZAYOEMG-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316918031 872357418 /nfs/dbraw/zinc/35/74/18/872357418.db2.gz NRZMPDBZAYOEMG-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208451056 874153605 /nfs/dbraw/zinc/15/36/05/874153605.db2.gz QLLHRLBZIKFLDD-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209579725 874986802 /nfs/dbraw/zinc/98/68/02/874986802.db2.gz VFEFHHKNZABLPP-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210117043 875232973 /nfs/dbraw/zinc/23/29/73/875232973.db2.gz OYJBLEINQBBROB-MRXNPFEDSA-N 2 2 324.428 1.789 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001223541173 880998440 /nfs/dbraw/zinc/99/84/40/880998440.db2.gz JQUHCAZLSCNOBD-QGZVFWFLSA-N 2 2 316.449 1.932 20 30 DDEDLP C[NH+](C)CC1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001230592080 884629318 /nfs/dbraw/zinc/62/93/18/884629318.db2.gz QZYLRSQHVCHYLS-MRXNPFEDSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+](C)CC1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001230592080 884629326 /nfs/dbraw/zinc/62/93/26/884629326.db2.gz QZYLRSQHVCHYLS-MRXNPFEDSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+](C)CCCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679070 886529710 /nfs/dbraw/zinc/52/97/10/886529710.db2.gz ZIYIXRCBTDIOQG-UHFFFAOYSA-N 2 2 302.422 1.333 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001232845444 886632405 /nfs/dbraw/zinc/63/24/05/886632405.db2.gz XHWRXHLAMWKEJA-GFCCVEGCSA-N 2 2 306.435 1.262 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845444 886632414 /nfs/dbraw/zinc/63/24/14/886632414.db2.gz XHWRXHLAMWKEJA-GFCCVEGCSA-N 2 2 306.435 1.262 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277861457 888041221 /nfs/dbraw/zinc/04/12/21/888041221.db2.gz BYLHCYVMOHCNSV-ZDUSSCGKSA-N 2 2 314.389 1.263 20 30 DDEDLP CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001364531917 888863409 /nfs/dbraw/zinc/86/34/09/888863409.db2.gz KTYVKOJKZKLINI-AWEZNQCLSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001364531917 888863422 /nfs/dbraw/zinc/86/34/22/888863422.db2.gz KTYVKOJKZKLINI-AWEZNQCLSA-N 2 2 321.469 1.346 20 30 DDEDLP N#Cc1ccc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)nc1 ZINC001247698625 893300664 /nfs/dbraw/zinc/30/06/64/893300664.db2.gz QJPYUYOGYOKDGR-CYBMUJFWSA-N 2 2 306.329 1.629 20 30 DDEDLP C#CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001251836269 894834873 /nfs/dbraw/zinc/83/48/73/894834873.db2.gz XALIHKMFEYGBHC-LJQANCHMSA-N 2 2 316.445 1.594 20 30 DDEDLP C#CCOC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001251836269 894834888 /nfs/dbraw/zinc/83/48/88/894834888.db2.gz XALIHKMFEYGBHC-LJQANCHMSA-N 2 2 316.445 1.594 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001252596324 895297216 /nfs/dbraw/zinc/29/72/16/895297216.db2.gz PGJMTOXZGSEFRD-NUJGCVRESA-N 2 2 301.434 1.772 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012807 897837357 /nfs/dbraw/zinc/83/73/57/897837357.db2.gz RIQIHWKODPKANT-LSDHHAIUSA-N 2 2 310.401 1.798 20 30 DDEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001370022119 902406598 /nfs/dbraw/zinc/40/65/98/902406598.db2.gz XKEOUCPLARGEDI-IRXDYDNUSA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001370022119 902406602 /nfs/dbraw/zinc/40/66/02/902406602.db2.gz XKEOUCPLARGEDI-IRXDYDNUSA-N 2 2 314.433 1.589 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001391910058 902882435 /nfs/dbraw/zinc/88/24/35/902882435.db2.gz AGUAUBAPMQRGRE-WCQYABFASA-N 2 2 310.829 1.540 20 30 DDEDLP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001279273389 903207002 /nfs/dbraw/zinc/20/70/02/903207002.db2.gz QNJLPLDHAAMIDD-WKILWMFISA-N 2 2 302.422 1.419 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577928 903334932 /nfs/dbraw/zinc/33/49/32/903334932.db2.gz VXGXFOWRTYYDKN-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577928 903334952 /nfs/dbraw/zinc/33/49/52/903334952.db2.gz VXGXFOWRTYYDKN-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001280354146 903604087 /nfs/dbraw/zinc/60/40/87/903604087.db2.gz KACSQEJDIWLNGZ-AWEZNQCLSA-N 2 2 310.401 1.943 20 30 DDEDLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001372191995 906685257 /nfs/dbraw/zinc/68/52/57/906685257.db2.gz OJGMUEQGNVFXMQ-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001372191995 906685262 /nfs/dbraw/zinc/68/52/62/906685262.db2.gz OJGMUEQGNVFXMQ-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001372191995 906685270 /nfs/dbraw/zinc/68/52/70/906685270.db2.gz OJGMUEQGNVFXMQ-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001283191522 906848886 /nfs/dbraw/zinc/84/88/86/906848886.db2.gz JFSPSKWSIKIDSV-AWEZNQCLSA-N 2 2 303.406 1.531 20 30 DDEDLP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283205492 906884620 /nfs/dbraw/zinc/88/46/20/906884620.db2.gz XPWGSHSZKSHIFU-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001284598060 909231325 /nfs/dbraw/zinc/23/13/25/909231325.db2.gz LHFPTTHSNVEYGG-NFAWXSAZSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001284598060 909231343 /nfs/dbraw/zinc/23/13/43/909231343.db2.gz LHFPTTHSNVEYGG-NFAWXSAZSA-N 2 2 302.422 1.657 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375111890 914995471 /nfs/dbraw/zinc/99/54/71/914995471.db2.gz PIVGXFUARGSRHI-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375111890 914995479 /nfs/dbraw/zinc/99/54/79/914995479.db2.gz PIVGXFUARGSRHI-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329269736 539302283 /nfs/dbraw/zinc/30/22/83/539302283.db2.gz GYWSZCHEZVWVFX-CQSZACIVSA-N 2 2 303.410 1.516 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329269736 539302285 /nfs/dbraw/zinc/30/22/85/539302285.db2.gz GYWSZCHEZVWVFX-CQSZACIVSA-N 2 2 303.410 1.516 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695104 529929288 /nfs/dbraw/zinc/92/92/88/529929288.db2.gz BGGHQWPSRNYMPW-KGLIPLIRSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695104 529929289 /nfs/dbraw/zinc/92/92/89/529929289.db2.gz BGGHQWPSRNYMPW-KGLIPLIRSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695104 529929290 /nfs/dbraw/zinc/92/92/90/529929290.db2.gz BGGHQWPSRNYMPW-KGLIPLIRSA-N 2 2 319.453 1.987 20 30 DDEDLP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695104 529929291 /nfs/dbraw/zinc/92/92/91/529929291.db2.gz BGGHQWPSRNYMPW-KGLIPLIRSA-N 2 2 319.453 1.987 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccccc1 ZINC000086972950 353745983 /nfs/dbraw/zinc/74/59/83/353745983.db2.gz KJYBKQIHWRACKZ-ZDUSSCGKSA-N 2 2 314.437 1.912 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C#N)CCC3)C2)CC1 ZINC000591389354 355305092 /nfs/dbraw/zinc/30/50/92/355305092.db2.gz XCFBSUDYAUNHQN-AWEZNQCLSA-N 2 2 319.453 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C#N)CCC3)C2)CC1 ZINC000591389354 355305093 /nfs/dbraw/zinc/30/50/93/355305093.db2.gz XCFBSUDYAUNHQN-AWEZNQCLSA-N 2 2 319.453 1.148 20 30 DDEDLP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000591822248 355391655 /nfs/dbraw/zinc/39/16/55/355391655.db2.gz QRBNWJSPUYVZDL-OAHLLOKOSA-N 2 2 313.405 1.180 20 30 DDEDLP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000591822248 355391656 /nfs/dbraw/zinc/39/16/56/355391656.db2.gz QRBNWJSPUYVZDL-OAHLLOKOSA-N 2 2 313.405 1.180 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C#N)CCCC3)cn2)CC1 ZINC000593653044 355955508 /nfs/dbraw/zinc/95/55/08/355955508.db2.gz YOABQCDAWYXQOC-UHFFFAOYSA-N 2 2 314.437 1.402 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000594445392 356219137 /nfs/dbraw/zinc/21/91/37/356219137.db2.gz FBPCXIHDZWFTIU-HNNXBMFYSA-N 2 2 320.462 1.804 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C#N)CCCC1 ZINC000596643730 356940161 /nfs/dbraw/zinc/94/01/61/356940161.db2.gz INKRIHBXEZCUPP-UHFFFAOYSA-N 2 2 309.458 1.253 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C#N)CCCC1 ZINC000596643730 356940162 /nfs/dbraw/zinc/94/01/62/356940162.db2.gz INKRIHBXEZCUPP-UHFFFAOYSA-N 2 2 309.458 1.253 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc(C#N)cc1Cl ZINC000597990232 357408865 /nfs/dbraw/zinc/40/88/65/357408865.db2.gz SLUFWTOZXZWISQ-UHFFFAOYSA-N 2 2 323.828 1.220 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc(C#N)cc1Cl ZINC000597990232 357408867 /nfs/dbraw/zinc/40/88/67/357408867.db2.gz SLUFWTOZXZWISQ-UHFFFAOYSA-N 2 2 323.828 1.220 20 30 DDEDLP CCn1cc[nH+]c1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590880 357644005 /nfs/dbraw/zinc/64/40/05/357644005.db2.gz UXRLSHIURZLZKA-OAHLLOKOSA-N 2 2 319.453 1.321 20 30 DDEDLP Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C#N ZINC000600707133 358289250 /nfs/dbraw/zinc/28/92/50/358289250.db2.gz GUMMENFNXXFJFB-KRWDZBQOSA-N 2 2 312.417 1.263 20 30 DDEDLP Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C#N ZINC000600707133 358289254 /nfs/dbraw/zinc/28/92/54/358289254.db2.gz GUMMENFNXXFJFB-KRWDZBQOSA-N 2 2 312.417 1.263 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000600758786 358309474 /nfs/dbraw/zinc/30/94/74/358309474.db2.gz WSJSWKUSFVGSAU-DLBZAZTESA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCOCC1 ZINC000600758786 358309475 /nfs/dbraw/zinc/30/94/75/358309475.db2.gz WSJSWKUSFVGSAU-DLBZAZTESA-N 2 2 321.465 1.664 20 30 DDEDLP CC1CC(C#N)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000601808129 358701470 /nfs/dbraw/zinc/70/14/70/358701470.db2.gz UYAQLGXFQUYPKU-UHFFFAOYSA-N 2 2 313.405 1.712 20 30 DDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338365292 299304122 /nfs/dbraw/zinc/30/41/22/299304122.db2.gz MEJSJCSZJURXJE-JTOWHCCKSA-N 2 2 317.433 1.679 20 30 DDEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338365292 299304124 /nfs/dbraw/zinc/30/41/24/299304124.db2.gz MEJSJCSZJURXJE-JTOWHCCKSA-N 2 2 317.433 1.679 20 30 DDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888725 304252283 /nfs/dbraw/zinc/25/22/83/304252283.db2.gz PGZAFTIZLKJMDU-QGZVFWFLSA-N 2 2 310.405 1.519 20 30 DDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888725 304252285 /nfs/dbraw/zinc/25/22/85/304252285.db2.gz PGZAFTIZLKJMDU-QGZVFWFLSA-N 2 2 310.405 1.519 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888725 304252286 /nfs/dbraw/zinc/25/22/86/304252286.db2.gz PGZAFTIZLKJMDU-QGZVFWFLSA-N 2 2 310.405 1.519 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000567888725 304252287 /nfs/dbraw/zinc/25/22/87/304252287.db2.gz PGZAFTIZLKJMDU-QGZVFWFLSA-N 2 2 310.405 1.519 20 30 DDEDLP C=CC[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000116955164 407800981 /nfs/dbraw/zinc/80/09/81/407800981.db2.gz HUCJMBRHJXLJCH-AWEZNQCLSA-N 2 2 308.470 1.809 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247240900 408436915 /nfs/dbraw/zinc/43/69/15/408436915.db2.gz DMFYVVWFCSQVJN-ZIAGYGMSSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247240900 408436918 /nfs/dbraw/zinc/43/69/18/408436918.db2.gz DMFYVVWFCSQVJN-ZIAGYGMSSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247240900 408436920 /nfs/dbraw/zinc/43/69/20/408436920.db2.gz DMFYVVWFCSQVJN-ZIAGYGMSSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247240900 408436922 /nfs/dbraw/zinc/43/69/22/408436922.db2.gz DMFYVVWFCSQVJN-ZIAGYGMSSA-N 2 2 310.442 1.193 20 30 DDEDLP C[C@@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163079988 408758545 /nfs/dbraw/zinc/75/85/45/408758545.db2.gz XBTWUMQZXFKBOG-ZDUSSCGKSA-N 2 2 309.435 1.262 20 30 DDEDLP COCCNC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277255047 408907044 /nfs/dbraw/zinc/90/70/44/408907044.db2.gz IIZLULKCHLBJOY-OAHLLOKOSA-N 2 2 322.478 1.155 20 30 DDEDLP COCCNC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277255047 408907046 /nfs/dbraw/zinc/90/70/46/408907046.db2.gz IIZLULKCHLBJOY-OAHLLOKOSA-N 2 2 322.478 1.155 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000297640236 409937338 /nfs/dbraw/zinc/93/73/38/409937338.db2.gz ZANHCHPAUQPVGB-CQSZACIVSA-N 2 2 303.410 1.601 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000297640236 409937346 /nfs/dbraw/zinc/93/73/46/409937346.db2.gz ZANHCHPAUQPVGB-CQSZACIVSA-N 2 2 303.410 1.601 20 30 DDEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](CCO)CC1 ZINC000353362126 410943058 /nfs/dbraw/zinc/94/30/58/410943058.db2.gz CYXLTQQDQUJJPR-UHFFFAOYSA-N 2 2 313.405 1.094 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368964325 418726930 /nfs/dbraw/zinc/72/69/30/418726930.db2.gz FRKLYFZBYWMPTJ-WFASDCNBSA-N 2 2 322.478 1.554 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368964325 418726933 /nfs/dbraw/zinc/72/69/33/418726933.db2.gz FRKLYFZBYWMPTJ-WFASDCNBSA-N 2 2 322.478 1.554 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1C#N ZINC000372342488 418858881 /nfs/dbraw/zinc/85/88/81/418858881.db2.gz UFFSYBLKPAEAMK-DLBZAZTESA-N 2 2 315.417 1.910 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1C#N ZINC000372342488 418858883 /nfs/dbraw/zinc/85/88/83/418858883.db2.gz UFFSYBLKPAEAMK-DLBZAZTESA-N 2 2 315.417 1.910 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424135836 228233153 /nfs/dbraw/zinc/23/31/53/228233153.db2.gz PQNCEQDABRCIFP-CYBMUJFWSA-N 2 2 301.325 1.971 20 30 DDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000567995623 421616409 /nfs/dbraw/zinc/61/64/09/421616409.db2.gz QJDOOKXKWJCTCI-KRWDZBQOSA-N 2 2 311.389 1.505 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689278 421736994 /nfs/dbraw/zinc/73/69/94/421736994.db2.gz VAVNCHOXARVMMM-INIZCTEOSA-N 2 2 300.362 1.994 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689278 421736995 /nfs/dbraw/zinc/73/69/95/421736995.db2.gz VAVNCHOXARVMMM-INIZCTEOSA-N 2 2 300.362 1.994 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689278 421736998 /nfs/dbraw/zinc/73/69/98/421736998.db2.gz VAVNCHOXARVMMM-INIZCTEOSA-N 2 2 300.362 1.994 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000571689278 421737000 /nfs/dbraw/zinc/73/70/00/421737000.db2.gz VAVNCHOXARVMMM-INIZCTEOSA-N 2 2 300.362 1.994 20 30 DDEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000651752695 423671202 /nfs/dbraw/zinc/67/12/02/423671202.db2.gz PYSQCDULVQNPNJ-IKGGRYGDSA-N 2 2 321.465 1.254 20 30 DDEDLP C[NH+](C)CC1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000353029983 266495160 /nfs/dbraw/zinc/49/51/60/266495160.db2.gz SCVMXRQAMPLZAU-MRXNPFEDSA-N 2 2 314.433 1.796 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753154 278099109 /nfs/dbraw/zinc/09/91/09/278099109.db2.gz WOLQQYIJEWTRSW-DVOMOZLQSA-N 2 2 317.437 1.740 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753154 278099112 /nfs/dbraw/zinc/09/91/12/278099112.db2.gz WOLQQYIJEWTRSW-DVOMOZLQSA-N 2 2 317.437 1.740 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361673964 280103121 /nfs/dbraw/zinc/10/31/21/280103121.db2.gz BDDKABPONCFQPF-XLMAVXFVSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361673964 280103125 /nfs/dbraw/zinc/10/31/25/280103125.db2.gz BDDKABPONCFQPF-XLMAVXFVSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361673964 280103128 /nfs/dbraw/zinc/10/31/28/280103128.db2.gz BDDKABPONCFQPF-XLMAVXFVSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361673964 280103132 /nfs/dbraw/zinc/10/31/32/280103132.db2.gz BDDKABPONCFQPF-XLMAVXFVSA-N 2 2 320.481 1.845 20 30 DDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C[NH+]1CCOCC1 ZINC000376181491 298783898 /nfs/dbraw/zinc/78/38/98/298783898.db2.gz MNEKHIFHRGJHSQ-SFFUCWETSA-N 2 2 321.465 1.784 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000573317273 308236940 /nfs/dbraw/zinc/23/69/40/308236940.db2.gz DLDDQMBSWZGLQH-XQQFMLRXSA-N 2 2 309.435 1.179 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000573317273 308236942 /nfs/dbraw/zinc/23/69/42/308236942.db2.gz DLDDQMBSWZGLQH-XQQFMLRXSA-N 2 2 309.435 1.179 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893266 336376305 /nfs/dbraw/zinc/37/63/05/336376305.db2.gz NRXFAHICTRHNDI-GDBMZVCRSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893266 336376306 /nfs/dbraw/zinc/37/63/06/336376306.db2.gz NRXFAHICTRHNDI-GDBMZVCRSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000525893266 336376307 /nfs/dbraw/zinc/37/63/07/336376307.db2.gz NRXFAHICTRHNDI-GDBMZVCRSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000525893266 336376308 /nfs/dbraw/zinc/37/63/08/336376308.db2.gz NRXFAHICTRHNDI-GDBMZVCRSA-N 2 2 316.449 1.498 20 30 DDEDLP C=CCOCCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348128130 526748379 /nfs/dbraw/zinc/74/83/79/526748379.db2.gz ZAJNUHCYBADYOH-JKSUJKDBSA-N 2 2 324.444 1.857 20 30 DDEDLP C=CCOCCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348128130 526748382 /nfs/dbraw/zinc/74/83/82/526748382.db2.gz ZAJNUHCYBADYOH-JKSUJKDBSA-N 2 2 324.444 1.857 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000491704455 526983645 /nfs/dbraw/zinc/98/36/45/526983645.db2.gz IWSFBESPPMBGCD-CQSZACIVSA-N 2 2 305.447 1.614 20 30 DDEDLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330858846 527844064 /nfs/dbraw/zinc/84/40/64/527844064.db2.gz RAFDLOVTOXLWIG-OAHLLOKOSA-N 2 2 319.453 1.834 20 30 DDEDLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330858846 527844071 /nfs/dbraw/zinc/84/40/71/527844071.db2.gz RAFDLOVTOXLWIG-OAHLLOKOSA-N 2 2 319.453 1.834 20 30 DDEDLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424166702 528860586 /nfs/dbraw/zinc/86/05/86/528860586.db2.gz GJXKMYKNNYDUNM-CQSZACIVSA-N 2 2 305.426 1.705 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980191103 696705127 /nfs/dbraw/zinc/70/51/27/696705127.db2.gz FHYAIHMXGXOORZ-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980191103 696705128 /nfs/dbraw/zinc/70/51/28/696705128.db2.gz FHYAIHMXGXOORZ-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980191101 696705201 /nfs/dbraw/zinc/70/52/01/696705201.db2.gz FHYAIHMXGXOORZ-BFHYXJOUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980191101 696705203 /nfs/dbraw/zinc/70/52/03/696705203.db2.gz FHYAIHMXGXOORZ-BFHYXJOUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972660599 695312009 /nfs/dbraw/zinc/31/20/09/695312009.db2.gz BLBXUWKYSVOUEG-HNNXBMFYSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000972660599 695312012 /nfs/dbraw/zinc/31/20/12/695312012.db2.gz BLBXUWKYSVOUEG-HNNXBMFYSA-N 2 2 311.389 1.600 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977504803 696192414 /nfs/dbraw/zinc/19/24/14/696192414.db2.gz YSXCRMDATGWCMV-OAHLLOKOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977504803 696192416 /nfs/dbraw/zinc/19/24/16/696192416.db2.gz YSXCRMDATGWCMV-OAHLLOKOSA-N 2 2 300.406 1.221 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980184009 696702991 /nfs/dbraw/zinc/70/29/91/696702991.db2.gz QLLUAIGZCKNJQJ-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980184009 696702992 /nfs/dbraw/zinc/70/29/92/696702992.db2.gz QLLUAIGZCKNJQJ-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982075123 697023276 /nfs/dbraw/zinc/02/32/76/697023276.db2.gz SWCNYAHFSYXDTM-UHFFFAOYSA-N 2 2 316.449 1.954 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982075123 697023278 /nfs/dbraw/zinc/02/32/78/697023278.db2.gz SWCNYAHFSYXDTM-UHFFFAOYSA-N 2 2 316.449 1.954 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483435 697108306 /nfs/dbraw/zinc/10/83/06/697108306.db2.gz ILHZUBSRVOSQFH-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483435 697108308 /nfs/dbraw/zinc/10/83/08/697108308.db2.gz ILHZUBSRVOSQFH-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598657 697156351 /nfs/dbraw/zinc/15/63/51/697156351.db2.gz JQCIIWBJIHGTLJ-NXHRZFHOSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598657 697156352 /nfs/dbraw/zinc/15/63/52/697156352.db2.gz JQCIIWBJIHGTLJ-NXHRZFHOSA-N 2 2 314.433 1.638 20 30 DDEDLP C[NH+]=C(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)NC1CC1 ZINC000172838888 697372180 /nfs/dbraw/zinc/37/21/80/697372180.db2.gz OPWHPAOLZZSZFI-UHFFFAOYSA-N 3 2 307.486 1.264 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987068911 697984326 /nfs/dbraw/zinc/98/43/26/697984326.db2.gz PCPSXIJKQPRNBA-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CCNC(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000777316968 698179576 /nfs/dbraw/zinc/17/95/76/698179576.db2.gz WTLPPQUZZUKCRU-UHFFFAOYSA-N 2 2 316.449 1.613 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000262474610 698471013 /nfs/dbraw/zinc/47/10/13/698471013.db2.gz PUQGIAXFJWGKSH-STQMWFEESA-N 2 2 322.478 1.530 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000262474610 698471016 /nfs/dbraw/zinc/47/10/16/698471016.db2.gz PUQGIAXFJWGKSH-STQMWFEESA-N 2 2 322.478 1.530 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000328240853 698746390 /nfs/dbraw/zinc/74/63/90/698746390.db2.gz HJZIXDNQZHZRMI-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000328240853 698746393 /nfs/dbraw/zinc/74/63/93/698746393.db2.gz HJZIXDNQZHZRMI-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000765415869 701010917 /nfs/dbraw/zinc/01/09/17/701010917.db2.gz DNHGAFHDIFOOOI-OAHLLOKOSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868652848 702247548 /nfs/dbraw/zinc/24/75/48/702247548.db2.gz LKJHOERBPJWIOT-KRWDZBQOSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868652848 702247553 /nfs/dbraw/zinc/24/75/53/702247553.db2.gz LKJHOERBPJWIOT-KRWDZBQOSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868652848 702247558 /nfs/dbraw/zinc/24/75/58/702247558.db2.gz LKJHOERBPJWIOT-KRWDZBQOSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868652848 702247565 /nfs/dbraw/zinc/24/75/65/702247565.db2.gz LKJHOERBPJWIOT-KRWDZBQOSA-N 2 2 314.433 1.427 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000843087951 702816389 /nfs/dbraw/zinc/81/63/89/702816389.db2.gz LSPMKMZEXVVZAB-IAGOWNOFSA-N 2 2 303.406 1.028 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843087951 702816392 /nfs/dbraw/zinc/81/63/92/702816392.db2.gz LSPMKMZEXVVZAB-IAGOWNOFSA-N 2 2 303.406 1.028 20 30 DDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000866659942 706755355 /nfs/dbraw/zinc/75/53/55/706755355.db2.gz YJPOWLWBUQWKEG-WBMJQRKESA-N 2 2 301.390 1.832 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260259 706924231 /nfs/dbraw/zinc/92/42/31/706924231.db2.gz AADYSERLXSNXSG-HUUCEWRRSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260259 706924232 /nfs/dbraw/zinc/92/42/32/706924232.db2.gz AADYSERLXSNXSG-HUUCEWRRSA-N 2 2 315.421 1.353 20 30 DDEDLP C#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C)CC1 ZINC000886579044 708780591 /nfs/dbraw/zinc/78/05/91/708780591.db2.gz VSJDDGDBSZKQAV-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900419325 709586499 /nfs/dbraw/zinc/58/64/99/709586499.db2.gz UETCKBUQOMDIPR-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892878905 710517669 /nfs/dbraw/zinc/51/76/69/710517669.db2.gz CSVLSFRTOCYDBD-UHFFFAOYSA-N 2 2 313.445 1.570 20 30 DDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931514645 714116402 /nfs/dbraw/zinc/11/64/02/714116402.db2.gz VLNBKMRGUSSBAE-UHFFFAOYSA-N 2 2 321.384 1.922 20 30 DDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931514645 714116405 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1.450 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185503594 744238657 /nfs/dbraw/zinc/23/86/57/744238657.db2.gz RMTLRVGNZVNZGT-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991218 744541353 /nfs/dbraw/zinc/54/13/53/744541353.db2.gz PWEGOKHLVBOPSO-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991218 744541355 /nfs/dbraw/zinc/54/13/55/744541355.db2.gz PWEGOKHLVBOPSO-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487378 745224062 /nfs/dbraw/zinc/22/40/62/745224062.db2.gz ZGRBRIZFENNLKK-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487378 745224066 /nfs/dbraw/zinc/22/40/66/745224066.db2.gz ZGRBRIZFENNLKK-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988738 745395825 /nfs/dbraw/zinc/39/58/25/745395825.db2.gz HPSXAZCDQWYEFW-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988738 745395830 /nfs/dbraw/zinc/39/58/30/745395830.db2.gz HPSXAZCDQWYEFW-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010659 745404102 /nfs/dbraw/zinc/40/41/02/745404102.db2.gz OIEZVCNRXDXSTH-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010659 745404105 /nfs/dbraw/zinc/40/41/05/745404105.db2.gz OIEZVCNRXDXSTH-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001046850406 746234639 /nfs/dbraw/zinc/23/46/39/746234639.db2.gz VKBXDIYBZXUGNC-QGZVFWFLSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001046850406 746234641 /nfs/dbraw/zinc/23/46/41/746234641.db2.gz VKBXDIYBZXUGNC-QGZVFWFLSA-N 2 2 323.868 1.665 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267503 746554414 /nfs/dbraw/zinc/55/44/14/746554414.db2.gz KFCDGSDODPKLAO-ZBFHGGJFSA-N 2 2 314.433 1.754 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007344531 752102556 /nfs/dbraw/zinc/10/25/56/752102556.db2.gz GNOMZVFEHHASRJ-HUUCEWRRSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007344531 752102558 /nfs/dbraw/zinc/10/25/58/752102558.db2.gz GNOMZVFEHHASRJ-HUUCEWRRSA-N 2 2 311.857 1.661 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089542595 747180415 /nfs/dbraw/zinc/18/04/15/747180415.db2.gz VZHHGEOSJFGACR-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089542595 747180420 /nfs/dbraw/zinc/18/04/20/747180420.db2.gz VZHHGEOSJFGACR-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729754 747583096 /nfs/dbraw/zinc/58/30/96/747583096.db2.gz SSCMUJHNJJVFEA-OAHLLOKOSA-N 2 2 313.873 1.765 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729754 747583099 /nfs/dbraw/zinc/58/30/99/747583099.db2.gz SSCMUJHNJJVFEA-OAHLLOKOSA-N 2 2 313.873 1.765 20 30 DDEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657275 747600779 /nfs/dbraw/zinc/60/07/79/747600779.db2.gz BWSHSUXLEGKEKB-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657275 747600784 /nfs/dbraw/zinc/60/07/84/747600784.db2.gz BWSHSUXLEGKEKB-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657275 747600790 /nfs/dbraw/zinc/60/07/90/747600790.db2.gz BWSHSUXLEGKEKB-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657275 747600796 /nfs/dbraw/zinc/60/07/96/747600796.db2.gz BWSHSUXLEGKEKB-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922898 748138644 /nfs/dbraw/zinc/13/86/44/748138644.db2.gz RMRSLINEAQEFGE-UKRRQHHQSA-N 2 2 320.437 1.147 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366811 748216690 /nfs/dbraw/zinc/21/66/90/748216690.db2.gz IUEVKNAVCOMHDO-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201229325 748436706 /nfs/dbraw/zinc/43/67/06/748436706.db2.gz BBEPVWWROMXRME-UHFFFAOYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201493624 748525101 /nfs/dbraw/zinc/52/51/01/748525101.db2.gz IOBHXCFNRRDDDW-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482511 748533638 /nfs/dbraw/zinc/53/36/38/748533638.db2.gz JDZIFDMDBONFQI-HOCLYGCPSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525173 748540937 /nfs/dbraw/zinc/54/09/37/748540937.db2.gz QMJIUFAKKNONKT-CABCVRRESA-N 2 2 306.410 1.227 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001036221081 752298076 /nfs/dbraw/zinc/29/80/76/752298076.db2.gz BHNFTEJCUUBGOV-WBVHZDCISA-N 2 2 324.428 1.645 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996399774 749557103 /nfs/dbraw/zinc/55/71/03/749557103.db2.gz SNVJNTWCPDQIEN-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996399774 749557106 /nfs/dbraw/zinc/55/71/06/749557106.db2.gz SNVJNTWCPDQIEN-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095448957 749907277 /nfs/dbraw/zinc/90/72/77/749907277.db2.gz WTABKTLDSKWFMP-PMPSAXMXSA-N 2 2 312.417 1.117 20 30 DDEDLP 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ZINC001034491583 750480550 /nfs/dbraw/zinc/48/05/50/750480550.db2.gz UWFSZXNSWTYBAV-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034491583 750480554 /nfs/dbraw/zinc/48/05/54/750480554.db2.gz UWFSZXNSWTYBAV-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997175967 750654518 /nfs/dbraw/zinc/65/45/18/750654518.db2.gz HSNGQQKNVYDNLH-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413359 750667404 /nfs/dbraw/zinc/66/74/04/750667404.db2.gz GLHVYQSRUBBXBK-KKUMJFAQSA-N 2 2 302.422 1.868 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413359 750667406 /nfs/dbraw/zinc/66/74/06/750667406.db2.gz GLHVYQSRUBBXBK-KKUMJFAQSA-N 2 2 302.422 1.868 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997185735 750679715 /nfs/dbraw/zinc/67/97/15/750679715.db2.gz 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768841014 /nfs/dbraw/zinc/84/10/14/768841014.db2.gz MIHJURWCAQBCEG-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132425796 768841028 /nfs/dbraw/zinc/84/10/28/768841028.db2.gz MIHJURWCAQBCEG-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001132925122 769326888 /nfs/dbraw/zinc/32/68/88/769326888.db2.gz TXKFKVPBGPRNCG-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132997084 769404987 /nfs/dbraw/zinc/40/49/87/769404987.db2.gz FVULRXJLJIULAS-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133195003 769578381 /nfs/dbraw/zinc/57/83/81/769578381.db2.gz NUHRFXRUQIOXSM-WCQYABFASA-N 2 2 310.829 1.779 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940060 770315901 /nfs/dbraw/zinc/31/59/01/770315901.db2.gz VLBONANGHOCDLF-GDBMZVCRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940060 770315912 /nfs/dbraw/zinc/31/59/12/770315912.db2.gz VLBONANGHOCDLF-GDBMZVCRSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134617983 771089870 /nfs/dbraw/zinc/08/98/70/771089870.db2.gz LRZFOAZNZUIDSJ-UHFFFAOYSA-N 2 2 309.454 1.303 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049760203 771138679 /nfs/dbraw/zinc/13/86/79/771138679.db2.gz YGWXOLCTBUPMSS-GVDBMIGSSA-N 2 2 314.433 1.923 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049760203 771138683 /nfs/dbraw/zinc/13/86/83/771138683.db2.gz YGWXOLCTBUPMSS-GVDBMIGSSA-N 2 2 314.433 1.923 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848085 771205161 /nfs/dbraw/zinc/20/51/61/771205161.db2.gz HSEGGCOECHMXDP-JKSUJKDBSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848085 771205162 /nfs/dbraw/zinc/20/51/62/771205162.db2.gz HSEGGCOECHMXDP-JKSUJKDBSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086737471 771538659 /nfs/dbraw/zinc/53/86/59/771538659.db2.gz KOJPASRSYPHVKW-RRFJBIMHSA-N 2 2 316.449 1.884 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086737471 771538662 /nfs/dbraw/zinc/53/86/62/771538662.db2.gz KOJPASRSYPHVKW-RRFJBIMHSA-N 2 2 316.449 1.884 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135509454 771554717 /nfs/dbraw/zinc/55/47/17/771554717.db2.gz TVDLBMPOYHSVEJ-UHFFFAOYSA-N 2 2 312.417 1.320 20 30 DDEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853438 771753000 /nfs/dbraw/zinc/75/30/00/771753000.db2.gz XFHXCFJRHZQGFY-KGLIPLIRSA-N 2 2 313.405 1.940 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100049240 775619612 /nfs/dbraw/zinc/61/96/12/775619612.db2.gz ZHIQVJASIJRMMY-CABCVRRESA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100049240 775619619 /nfs/dbraw/zinc/61/96/19/775619619.db2.gz ZHIQVJASIJRMMY-CABCVRRESA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138842 775724116 /nfs/dbraw/zinc/72/41/16/775724116.db2.gz LHTNZUWDGPHMSQ-JKSUJKDBSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138842 775724126 /nfs/dbraw/zinc/72/41/26/775724126.db2.gz LHTNZUWDGPHMSQ-JKSUJKDBSA-N 2 2 320.437 1.181 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604143 776366134 /nfs/dbraw/zinc/36/61/34/776366134.db2.gz GHZTVEMDSUZZHS-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604757 776366763 /nfs/dbraw/zinc/36/67/63/776366763.db2.gz KMSURDPMSBFRAX-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706536 776455783 /nfs/dbraw/zinc/45/57/83/776455783.db2.gz LWQIPCVHIUUFJF-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864167 779202875 /nfs/dbraw/zinc/20/28/75/779202875.db2.gz DLPFKQOTCGZNFK-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306791 837794397 /nfs/dbraw/zinc/79/43/97/837794397.db2.gz XLWMOFNMQYBONC-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306791 837794405 /nfs/dbraw/zinc/79/44/05/837794405.db2.gz XLWMOFNMQYBONC-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001268178465 839798573 /nfs/dbraw/zinc/79/85/73/839798573.db2.gz MDAAGYQFFHDDNR-CABCVRRESA-N 2 2 304.438 1.755 20 30 DDEDLP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)CCc1[nH+]ccn1C ZINC001268696171 840682039 /nfs/dbraw/zinc/68/20/39/840682039.db2.gz GYVBSUCAQKRYSE-INIZCTEOSA-N 2 2 324.428 1.499 20 30 DDEDLP C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001269085650 841185073 /nfs/dbraw/zinc/18/50/73/841185073.db2.gz WQMWFSAYMAZGES-OAHLLOKOSA-N 2 2 304.438 1.987 20 30 DDEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001270811569 842926663 /nfs/dbraw/zinc/92/66/63/842926663.db2.gz DHRJYVUFWSTTGY-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC)C1 ZINC001034249607 848157574 /nfs/dbraw/zinc/15/75/74/848157574.db2.gz LUBHJEWIWCJZSW-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC)C1 ZINC001034249607 848157578 /nfs/dbraw/zinc/15/75/78/848157578.db2.gz LUBHJEWIWCJZSW-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034249607 848157583 /nfs/dbraw/zinc/15/75/83/848157583.db2.gz LUBHJEWIWCJZSW-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034249607 848157586 /nfs/dbraw/zinc/15/75/86/848157586.db2.gz LUBHJEWIWCJZSW-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282238 848246454 /nfs/dbraw/zinc/24/64/54/848246454.db2.gz NLAQWFXWULWTMP-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282238 848246458 /nfs/dbraw/zinc/24/64/58/848246458.db2.gz NLAQWFXWULWTMP-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828032 861923888 /nfs/dbraw/zinc/92/38/88/861923888.db2.gz QLMCCLBTUIMZNA-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828032 861923897 /nfs/dbraw/zinc/92/38/97/861923897.db2.gz QLMCCLBTUIMZNA-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828032 861923901 /nfs/dbraw/zinc/92/39/01/861923901.db2.gz QLMCCLBTUIMZNA-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828032 861923908 /nfs/dbraw/zinc/92/39/08/861923908.db2.gz QLMCCLBTUIMZNA-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426239 862238175 /nfs/dbraw/zinc/23/81/75/862238175.db2.gz RDPVBFCHEVUERT-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426239 862238194 /nfs/dbraw/zinc/23/81/94/862238194.db2.gz RDPVBFCHEVUERT-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426239 862238214 /nfs/dbraw/zinc/23/82/14/862238214.db2.gz RDPVBFCHEVUERT-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426239 862238231 /nfs/dbraw/zinc/23/82/31/862238231.db2.gz RDPVBFCHEVUERT-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048588 851890235 /nfs/dbraw/zinc/89/02/35/851890235.db2.gz MVTUPHHGYKLPOG-JFDDCEBESA-N 2 2 317.437 1.628 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048588 851890246 /nfs/dbraw/zinc/89/02/46/851890246.db2.gz MVTUPHHGYKLPOG-JFDDCEBESA-N 2 2 317.437 1.628 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049558198 856973947 /nfs/dbraw/zinc/97/39/47/856973947.db2.gz NSQBMCMCIRAIJU-OWCLPIDISA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001049558198 856973950 /nfs/dbraw/zinc/97/39/50/856973950.db2.gz NSQBMCMCIRAIJU-OWCLPIDISA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564405 856980809 /nfs/dbraw/zinc/98/08/09/856980809.db2.gz METZLYFOQLEUKS-HOTGVXAUSA-N 2 2 316.405 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564405 856980814 /nfs/dbraw/zinc/98/08/14/856980814.db2.gz METZLYFOQLEUKS-HOTGVXAUSA-N 2 2 316.405 1.048 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972420 857953157 /nfs/dbraw/zinc/95/31/57/857953157.db2.gz ZMGARZZVLQSODK-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972420 857953164 /nfs/dbraw/zinc/95/31/64/857953164.db2.gz ZMGARZZVLQSODK-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CCn1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cn1 ZINC001139770573 860475993 /nfs/dbraw/zinc/47/59/93/860475993.db2.gz SBGBUJSBSUBDCE-UHFFFAOYSA-N 2 2 303.454 1.281 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328632295 863118204 /nfs/dbraw/zinc/11/82/04/863118204.db2.gz RMOHBEDWLDBBKB-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330358864 864270729 /nfs/dbraw/zinc/27/07/29/864270729.db2.gz DXBMDVLKIWDCKN-MIGQKNRLSA-N 2 2 316.449 1.909 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330358864 864270740 /nfs/dbraw/zinc/27/07/40/864270740.db2.gz DXBMDVLKIWDCKN-MIGQKNRLSA-N 2 2 316.449 1.909 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154077984 864391063 /nfs/dbraw/zinc/39/10/63/864391063.db2.gz BIBDUWHCPOIXEZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154077984 864391076 /nfs/dbraw/zinc/39/10/76/864391076.db2.gz BIBDUWHCPOIXEZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172061 864469033 /nfs/dbraw/zinc/46/90/33/864469033.db2.gz WWMCQNUTWKFYRV-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158172061 864469038 /nfs/dbraw/zinc/46/90/38/864469038.db2.gz WWMCQNUTWKFYRV-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001330849708 864651630 /nfs/dbraw/zinc/65/16/30/864651630.db2.gz DVRBCHQFJUOQEZ-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468553 864672492 /nfs/dbraw/zinc/67/24/92/864672492.db2.gz VQKOJTMVCICENJ-HUUCEWRRSA-N 2 2 314.433 1.776 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468553 864672500 /nfs/dbraw/zinc/67/25/00/864672500.db2.gz VQKOJTMVCICENJ-HUUCEWRRSA-N 2 2 314.433 1.776 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666243 866003686 /nfs/dbraw/zinc/00/36/86/866003686.db2.gz VEBLCWGGBOUSQB-UHFFFAOYSA-N 2 2 308.385 1.720 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666243 866003699 /nfs/dbraw/zinc/00/36/99/866003699.db2.gz VEBLCWGGBOUSQB-UHFFFAOYSA-N 2 2 308.385 1.720 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001333083185 866405189 /nfs/dbraw/zinc/40/51/89/866405189.db2.gz UGWIBKNWWWJLMM-UYSNPLJNSA-N 2 2 302.422 1.683 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433925 866664217 /nfs/dbraw/zinc/66/42/17/866664217.db2.gz LNGMXMIYDGGKIZ-CQSZACIVSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433925 866664227 /nfs/dbraw/zinc/66/42/27/866664227.db2.gz LNGMXMIYDGGKIZ-CQSZACIVSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433925 866664233 /nfs/dbraw/zinc/66/42/33/866664233.db2.gz LNGMXMIYDGGKIZ-CQSZACIVSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433925 866664242 /nfs/dbraw/zinc/66/42/42/866664242.db2.gz LNGMXMIYDGGKIZ-CQSZACIVSA-N 2 2 302.422 1.913 20 30 DDEDLP C[NH+]1CCN(c2cccc(NC3(C#N)CC[NH+](C)CC3)n2)CC1 ZINC001162231298 867366218 /nfs/dbraw/zinc/36/62/18/867366218.db2.gz HMFLSIMARWWPCR-UHFFFAOYSA-N 2 2 314.437 1.233 20 30 DDEDLP COC[C@@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324987516 867680570 /nfs/dbraw/zinc/68/05/70/867680570.db2.gz GTLGANUYHREEJE-CYBMUJFWSA-N 2 2 308.401 1.536 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165835633 869728107 /nfs/dbraw/zinc/72/81/07/869728107.db2.gz JCSODFJUFAZIPT-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040792 870152730 /nfs/dbraw/zinc/15/27/30/870152730.db2.gz ZXFWMNNAKPIBLP-HNNXBMFYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040792 870152735 /nfs/dbraw/zinc/15/27/35/870152735.db2.gz ZXFWMNNAKPIBLP-HNNXBMFYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203668063 870702599 /nfs/dbraw/zinc/70/25/99/870702599.db2.gz HOBSRVCIVAUSKH-JKSUJKDBSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932884 870842172 /nfs/dbraw/zinc/84/21/72/870842172.db2.gz QFPLBBKNOJMPMH-QGZVFWFLSA-N 2 2 314.433 1.288 20 30 DDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001204896620 871280776 /nfs/dbraw/zinc/28/07/76/871280776.db2.gz NEVMTALLXVBXRP-AWEZNQCLSA-N 2 2 323.437 1.431 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556627 871628124 /nfs/dbraw/zinc/62/81/24/871628124.db2.gz XGNLZRVZGXWGJF-HNNXBMFYSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556627 871628134 /nfs/dbraw/zinc/62/81/34/871628134.db2.gz XGNLZRVZGXWGJF-HNNXBMFYSA-N 2 2 314.433 1.284 20 30 DDEDLP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001318543484 872141257 /nfs/dbraw/zinc/14/12/57/872141257.db2.gz XREHYMJBQHBTIX-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208436000 874139241 /nfs/dbraw/zinc/13/92/41/874139241.db2.gz SVIYWESLDPLUJL-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208680175 874377747 /nfs/dbraw/zinc/37/77/47/874377747.db2.gz RNKCMPQYMMRHPM-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211364901 875773008 /nfs/dbraw/zinc/77/30/08/875773008.db2.gz SNPNABNBSFGSHZ-DJIMGWMZSA-N 2 2 301.434 1.912 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211364901 875773013 /nfs/dbraw/zinc/77/30/13/875773013.db2.gz SNPNABNBSFGSHZ-DJIMGWMZSA-N 2 2 301.434 1.912 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719287 876030623 /nfs/dbraw/zinc/03/06/23/876030623.db2.gz VPFMAZPRPIFQIH-NUEKZKHPSA-N 2 2 320.437 1.133 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719287 876030642 /nfs/dbraw/zinc/03/06/42/876030642.db2.gz VPFMAZPRPIFQIH-NUEKZKHPSA-N 2 2 320.437 1.133 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988052 876529891 /nfs/dbraw/zinc/52/98/91/876529891.db2.gz HPROKXFTKRUQII-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc1N1CCCCC1 ZINC001218944806 877824871 /nfs/dbraw/zinc/82/48/71/877824871.db2.gz QIDXUFVMUASDKH-AWEZNQCLSA-N 2 2 301.394 1.163 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665590 878438262 /nfs/dbraw/zinc/43/82/62/878438262.db2.gz PNMZNPUWWQYONS-ZNMIVQPWSA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665590 878438271 /nfs/dbraw/zinc/43/82/71/878438271.db2.gz PNMZNPUWWQYONS-ZNMIVQPWSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001472959753 878496250 /nfs/dbraw/zinc/49/62/50/878496250.db2.gz FRXQFOVVCAUQSM-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001472959753 878496255 /nfs/dbraw/zinc/49/62/55/878496255.db2.gz FRXQFOVVCAUQSM-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757383 879236768 /nfs/dbraw/zinc/23/67/68/879236768.db2.gz CFLAZRGCXCHCOI-CVEARBPZSA-N 2 2 322.453 1.094 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757383 879236784 /nfs/dbraw/zinc/23/67/84/879236784.db2.gz CFLAZRGCXCHCOI-CVEARBPZSA-N 2 2 322.453 1.094 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835759 880112986 /nfs/dbraw/zinc/11/29/86/880112986.db2.gz ZKWJMJLGCSWIDZ-SQWLQELKSA-N 2 2 302.422 1.840 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835759 880112992 /nfs/dbraw/zinc/11/29/92/880112992.db2.gz ZKWJMJLGCSWIDZ-SQWLQELKSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001277883882 888192816 /nfs/dbraw/zinc/19/28/16/888192816.db2.gz RSRCDMPPASFJTR-OAHLLOKOSA-N 2 2 303.406 1.789 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001364532112 888865503 /nfs/dbraw/zinc/86/55/03/888865503.db2.gz NUNOZHGPNDWGQY-UHFFFAOYSA-N 2 2 303.410 1.362 20 30 DDEDLP COc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC001238410106 890202110 /nfs/dbraw/zinc/20/21/10/890202110.db2.gz VQXRGXDKXAWMHS-UHFFFAOYSA-N 2 2 302.422 1.246 20 30 DDEDLP COc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)ccc1C#N ZINC001238410106 890202126 /nfs/dbraw/zinc/20/21/26/890202126.db2.gz VQXRGXDKXAWMHS-UHFFFAOYSA-N 2 2 302.422 1.246 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001278516919 894011359 /nfs/dbraw/zinc/01/13/59/894011359.db2.gz XUDAQQUQPQDOEM-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001278516919 894011377 /nfs/dbraw/zinc/01/13/77/894011377.db2.gz XUDAQQUQPQDOEM-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CCC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167604 901656274 /nfs/dbraw/zinc/65/62/74/901656274.db2.gz VODIBVVWFUQXEJ-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167604 901656277 /nfs/dbraw/zinc/65/62/77/901656277.db2.gz VODIBVVWFUQXEJ-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001265653418 902258719 /nfs/dbraw/zinc/25/87/19/902258719.db2.gz ACNDMSQFVYCQLG-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001265653418 902258733 /nfs/dbraw/zinc/25/87/33/902258733.db2.gz ACNDMSQFVYCQLG-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001265653418 902258747 /nfs/dbraw/zinc/25/87/47/902258747.db2.gz ACNDMSQFVYCQLG-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001265653418 902258761 /nfs/dbraw/zinc/25/87/61/902258761.db2.gz ACNDMSQFVYCQLG-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001280380901 903621918 /nfs/dbraw/zinc/62/19/18/903621918.db2.gz CSJCZCZLJGWKFP-QAQDUYKDSA-N 2 2 316.449 1.951 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001280487473 903729794 /nfs/dbraw/zinc/72/97/94/903729794.db2.gz CUZFSAORDWPDOC-AWEZNQCLSA-N 2 2 300.406 1.097 20 30 DDEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001371324339 904703118 /nfs/dbraw/zinc/70/31/18/904703118.db2.gz SPMVZNLMGPGHLU-CQSZACIVSA-N 2 2 311.389 1.439 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001284102975 908478357 /nfs/dbraw/zinc/47/83/57/908478357.db2.gz QOBGBVXAFBVQSU-OWCLPIDISA-N 2 2 302.422 1.676 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001375260672 915410058 /nfs/dbraw/zinc/41/00/58/915410058.db2.gz YIZGDWJZZJJIQL-QGZVFWFLSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636364 353686133 /nfs/dbraw/zinc/68/61/33/353686133.db2.gz DYRLIIHTXOHSTP-UKRRQHHQSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636364 353686136 /nfs/dbraw/zinc/68/61/36/353686136.db2.gz DYRLIIHTXOHSTP-UKRRQHHQSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636364 353686138 /nfs/dbraw/zinc/68/61/38/353686138.db2.gz DYRLIIHTXOHSTP-UKRRQHHQSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636364 353686141 /nfs/dbraw/zinc/68/61/41/353686141.db2.gz DYRLIIHTXOHSTP-UKRRQHHQSA-N 2 2 322.453 1.050 20 30 DDEDLP [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C1CC[NH+](C2CC2)CC1 ZINC000329739555 223022560 /nfs/dbraw/zinc/02/25/60/223022560.db2.gz UXRTYASMPBHUMJ-GFCCVEGCSA-N 2 2 303.410 1.397 20 30 DDEDLP CCC(C#N)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599457032 357945702 /nfs/dbraw/zinc/94/57/02/357945702.db2.gz AHCLPOBNIBPMTL-CQSZACIVSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC(C#N)(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599457032 357945704 /nfs/dbraw/zinc/94/57/04/357945704.db2.gz AHCLPOBNIBPMTL-CQSZACIVSA-N 2 2 306.454 1.601 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000600733511 358300374 /nfs/dbraw/zinc/30/03/74/358300374.db2.gz JYJFEECHJAQPLZ-DLBZAZTESA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CCOCC1 ZINC000600733511 358300377 /nfs/dbraw/zinc/30/03/77/358300377.db2.gz JYJFEECHJAQPLZ-DLBZAZTESA-N 2 2 321.465 1.664 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCCC1 ZINC000329828006 223035839 /nfs/dbraw/zinc/03/58/39/223035839.db2.gz IZSYENYZBNOUHE-UHFFFAOYSA-N 2 2 305.426 1.877 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258170 360278768 /nfs/dbraw/zinc/27/87/68/360278768.db2.gz NRABBYNNPAJQRY-HOCLYGCPSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258170 360278770 /nfs/dbraw/zinc/27/87/70/360278770.db2.gz NRABBYNNPAJQRY-HOCLYGCPSA-N 2 2 301.394 1.328 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129139236 407593535 /nfs/dbraw/zinc/59/35/35/407593535.db2.gz MBMXQEWZCLEGQP-IAGOWNOFSA-N 2 2 321.465 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129139236 407593541 /nfs/dbraw/zinc/59/35/41/407593541.db2.gz MBMXQEWZCLEGQP-IAGOWNOFSA-N 2 2 321.465 1.230 20 30 DDEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036080 407948570 /nfs/dbraw/zinc/94/85/70/407948570.db2.gz HYYQNBBUAQMOBD-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862041 407941363 /nfs/dbraw/zinc/94/13/63/407941363.db2.gz XKPQGKBMOBLAPY-BFYDXBDKSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862041 407941372 /nfs/dbraw/zinc/94/13/72/407941372.db2.gz XKPQGKBMOBLAPY-BFYDXBDKSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862041 407941379 /nfs/dbraw/zinc/94/13/79/407941379.db2.gz XKPQGKBMOBLAPY-BFYDXBDKSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862041 407941383 /nfs/dbraw/zinc/94/13/83/407941383.db2.gz XKPQGKBMOBLAPY-BFYDXBDKSA-N 2 2 318.465 1.696 20 30 DDEDLP CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181409864 407992304 /nfs/dbraw/zinc/99/23/04/407992304.db2.gz JOGOLVMKCMIKAH-UHFFFAOYSA-N 2 2 300.406 1.248 20 30 DDEDLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000268729850 408179144 /nfs/dbraw/zinc/17/91/44/408179144.db2.gz OBDHHXIEKOHSDY-QGZVFWFLSA-N 2 2 314.433 1.543 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246304929 408212636 /nfs/dbraw/zinc/21/26/36/408212636.db2.gz FOEDSCGJCXPQFW-IXDOHACOSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246304929 408212639 /nfs/dbraw/zinc/21/26/39/408212639.db2.gz FOEDSCGJCXPQFW-IXDOHACOSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246304929 408212643 /nfs/dbraw/zinc/21/26/43/408212643.db2.gz FOEDSCGJCXPQFW-IXDOHACOSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246304929 408212645 /nfs/dbraw/zinc/21/26/45/408212645.db2.gz FOEDSCGJCXPQFW-IXDOHACOSA-N 2 2 305.466 1.711 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159976112 408450250 /nfs/dbraw/zinc/45/02/50/408450250.db2.gz VNXBCPWDRLRXGF-KKUMJFAQSA-N 2 2 305.426 1.520 20 30 DDEDLP CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001472 409047327 /nfs/dbraw/zinc/04/73/27/409047327.db2.gz CYDLKYHBYLNENA-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001472 409047331 /nfs/dbraw/zinc/04/73/31/409047331.db2.gz CYDLKYHBYLNENA-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293001472 409047333 /nfs/dbraw/zinc/04/73/33/409047333.db2.gz CYDLKYHBYLNENA-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293001472 409047336 /nfs/dbraw/zinc/04/73/36/409047336.db2.gz CYDLKYHBYLNENA-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP COC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000279845097 409251175 /nfs/dbraw/zinc/25/11/75/409251175.db2.gz RIOODDCBGVDEDC-KRWDZBQOSA-N 2 2 303.406 1.120 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303094749 409527822 /nfs/dbraw/zinc/52/78/22/409527822.db2.gz NDSAEMASZNEPNX-MRXNPFEDSA-N 2 2 303.406 1.324 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000328873384 409999005 /nfs/dbraw/zinc/99/90/05/409999005.db2.gz RAQMLTLLMRHIBS-CYBMUJFWSA-N 2 2 323.466 1.172 20 30 DDEDLP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329484341 410323373 /nfs/dbraw/zinc/32/33/73/410323373.db2.gz FMYLVCCHDJHBJP-AWEZNQCLSA-N 2 2 324.469 1.251 20 30 DDEDLP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000329484341 410323377 /nfs/dbraw/zinc/32/33/77/410323377.db2.gz FMYLVCCHDJHBJP-AWEZNQCLSA-N 2 2 324.469 1.251 20 30 DDEDLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329488200 410323794 /nfs/dbraw/zinc/32/37/94/410323794.db2.gz YAHCGNHSBQBHCV-CYBMUJFWSA-N 2 2 303.410 1.388 20 30 DDEDLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329488200 410323802 /nfs/dbraw/zinc/32/38/02/410323802.db2.gz YAHCGNHSBQBHCV-CYBMUJFWSA-N 2 2 303.410 1.388 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333435539 410546483 /nfs/dbraw/zinc/54/64/83/410546483.db2.gz VHIXBRIJIONYGQ-LSDHHAIUSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333435539 410546488 /nfs/dbraw/zinc/54/64/88/410546488.db2.gz VHIXBRIJIONYGQ-LSDHHAIUSA-N 2 2 321.469 1.346 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000352388703 410654815 /nfs/dbraw/zinc/65/48/15/410654815.db2.gz UJDQKQBDJXPAOP-UHFFFAOYSA-N 2 2 301.390 1.758 20 30 DDEDLP C[NH+]=C(NCc1nccn1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261988177 222265791 /nfs/dbraw/zinc/26/57/91/222265791.db2.gz QREGJPGVLSPXAS-UONOGXRCSA-N 2 2 315.425 1.275 20 30 DDEDLP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261990049 222267903 /nfs/dbraw/zinc/26/79/03/222267903.db2.gz RBSFSLYPYFYWRS-JYJNAYRXSA-N 2 2 319.453 1.911 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264317470 222330507 /nfs/dbraw/zinc/33/05/07/222330507.db2.gz WMNGMSRFTXPXOY-UHFFFAOYSA-N 2 2 313.405 1.833 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264088025 222315259 /nfs/dbraw/zinc/31/52/59/222315259.db2.gz KEBYYLVOMSCJRJ-UHFFFAOYSA-N 2 2 304.438 1.722 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000264121265 222321411 /nfs/dbraw/zinc/32/14/11/222321411.db2.gz RCQBAPMOUBLCKC-INIZCTEOSA-N 2 2 320.437 1.779 20 30 DDEDLP C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369362156 418733146 /nfs/dbraw/zinc/73/31/46/418733146.db2.gz CZHQAWSQPDSZQX-MRXNPFEDSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369362156 418733148 /nfs/dbraw/zinc/73/31/48/418733148.db2.gz CZHQAWSQPDSZQX-MRXNPFEDSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363709521 418768475 /nfs/dbraw/zinc/76/84/75/418768475.db2.gz CDEDLDICBJGZMD-FXUDXRNXSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363709521 418768477 /nfs/dbraw/zinc/76/84/77/418768477.db2.gz CDEDLDICBJGZMD-FXUDXRNXSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115337 418928357 /nfs/dbraw/zinc/92/83/57/418928357.db2.gz JPZQQRYQSHBOQK-OAHLLOKOSA-N 2 2 302.422 1.800 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115337 418928359 /nfs/dbraw/zinc/92/83/59/418928359.db2.gz JPZQQRYQSHBOQK-OAHLLOKOSA-N 2 2 302.422 1.800 20 30 DDEDLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418717132 419947627 /nfs/dbraw/zinc/94/76/27/419947627.db2.gz GXIMLYKKPXAFEI-MRXNPFEDSA-N 2 2 315.421 1.123 20 30 DDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568173846 421617300 /nfs/dbraw/zinc/61/73/00/421617300.db2.gz GURFQJPQWZNUNR-ZBFHGGJFSA-N 2 2 322.840 1.903 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363256486 289251186 /nfs/dbraw/zinc/25/11/86/289251186.db2.gz KYWMUZNRLPJTSA-UGUYLWEFSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363256486 289251190 /nfs/dbraw/zinc/25/11/90/289251190.db2.gz KYWMUZNRLPJTSA-UGUYLWEFSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363256486 289251192 /nfs/dbraw/zinc/25/11/92/289251192.db2.gz KYWMUZNRLPJTSA-UGUYLWEFSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363256486 289251195 /nfs/dbraw/zinc/25/11/95/289251195.db2.gz KYWMUZNRLPJTSA-UGUYLWEFSA-N 2 2 304.438 1.163 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330250142 295385319 /nfs/dbraw/zinc/38/53/19/295385319.db2.gz HBIIVDSADPMAEX-QWHCGFSZSA-N 2 2 314.393 1.715 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000534580583 334288913 /nfs/dbraw/zinc/28/89/13/334288913.db2.gz HIBBKHUCLIVRNM-CQSZACIVSA-N 2 2 315.421 1.552 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000534580583 334288914 /nfs/dbraw/zinc/28/89/14/334288914.db2.gz HIBBKHUCLIVRNM-CQSZACIVSA-N 2 2 315.421 1.552 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459465603 339030788 /nfs/dbraw/zinc/03/07/88/339030788.db2.gz NJGZDPRMTNJNNB-HOCLYGCPSA-N 2 2 316.405 1.206 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304152 484793600 /nfs/dbraw/zinc/79/36/00/484793600.db2.gz MOHXBBYXQJBPBS-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)[C@@H](CO)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711481 486498441 /nfs/dbraw/zinc/49/84/41/486498441.db2.gz ITPNBZZRZCDUHN-MSOLQXFVSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711481 486498444 /nfs/dbraw/zinc/49/84/44/486498444.db2.gz ITPNBZZRZCDUHN-MSOLQXFVSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711481 486498447 /nfs/dbraw/zinc/49/84/47/486498447.db2.gz ITPNBZZRZCDUHN-MSOLQXFVSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711481 486498450 /nfs/dbraw/zinc/49/84/50/486498450.db2.gz ITPNBZZRZCDUHN-MSOLQXFVSA-N 2 2 304.434 1.492 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491313826 526800741 /nfs/dbraw/zinc/80/07/41/526800741.db2.gz BCUIKHWMIYJJCN-UHFFFAOYSA-N 2 2 313.445 1.641 20 30 DDEDLP C#CC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000491313826 526800744 /nfs/dbraw/zinc/80/07/44/526800744.db2.gz BCUIKHWMIYJJCN-UHFFFAOYSA-N 2 2 313.445 1.641 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000490839232 526946919 /nfs/dbraw/zinc/94/69/19/526946919.db2.gz HWOHXPMZAJCZHM-UHFFFAOYSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000491360380 526950419 /nfs/dbraw/zinc/95/04/19/526950419.db2.gz FVQIIRNCRVOPEG-CQSZACIVSA-N 2 2 319.836 1.768 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000491753682 526983702 /nfs/dbraw/zinc/98/37/02/526983702.db2.gz PAYSHTQSUSNFNJ-QGZVFWFLSA-N 2 2 301.434 1.799 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000490951398 527026192 /nfs/dbraw/zinc/02/61/92/527026192.db2.gz XPZZWJCJBWGCLC-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP CCC[N@@H+]1CC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256056 /nfs/dbraw/zinc/25/60/56/528256056.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@H+]1CC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256059 /nfs/dbraw/zinc/25/60/59/528256059.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@@H+]1CC[C@H](CNC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256065 /nfs/dbraw/zinc/25/60/65/528256065.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 2 319.453 1.681 20 30 DDEDLP CCC[N@H+]1CC[C@H](CNC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256070 /nfs/dbraw/zinc/25/60/70/528256070.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 2 319.453 1.681 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980223763 696712227 /nfs/dbraw/zinc/71/22/27/696712227.db2.gz XLLBOHHYNRVRMV-ZNMIVQPWSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980223763 696712229 /nfs/dbraw/zinc/71/22/29/696712229.db2.gz XLLBOHHYNRVRMV-ZNMIVQPWSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972363338 695229283 /nfs/dbraw/zinc/22/92/83/695229283.db2.gz XPULJOWXFJBFSL-KRWDZBQOSA-N 2 2 318.421 1.222 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972363338 695229285 /nfs/dbraw/zinc/22/92/85/695229285.db2.gz XPULJOWXFJBFSL-KRWDZBQOSA-N 2 2 318.421 1.222 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000972613003 695299335 /nfs/dbraw/zinc/29/93/35/695299335.db2.gz ZNWSARIZDCBBQP-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000972613003 695299337 /nfs/dbraw/zinc/29/93/37/695299337.db2.gz ZNWSARIZDCBBQP-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC000974686484 695711781 /nfs/dbraw/zinc/71/17/81/695711781.db2.gz OYJSTRBFKWRXID-IRXDYDNUSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC000974686484 695711783 /nfs/dbraw/zinc/71/17/83/695711783.db2.gz OYJSTRBFKWRXID-IRXDYDNUSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC(C)C)CC1(C)C ZINC000974686484 695711784 /nfs/dbraw/zinc/71/17/84/695711784.db2.gz OYJSTRBFKWRXID-IRXDYDNUSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCC(C)C)CC1(C)C ZINC000974686484 695711785 /nfs/dbraw/zinc/71/17/85/695711785.db2.gz OYJSTRBFKWRXID-IRXDYDNUSA-N 2 2 319.493 1.957 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751194 695725925 /nfs/dbraw/zinc/72/59/25/695725925.db2.gz KBJCLUJFUIFAAE-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751194 695725927 /nfs/dbraw/zinc/72/59/27/695725927.db2.gz KBJCLUJFUIFAAE-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753794 695726889 /nfs/dbraw/zinc/72/68/89/695726889.db2.gz QXWBVQUKKRCKKA-CABCVRRESA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974753794 695726892 /nfs/dbraw/zinc/72/68/92/695726892.db2.gz QXWBVQUKKRCKKA-CABCVRRESA-N 2 2 314.433 1.295 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750814 696452267 /nfs/dbraw/zinc/45/22/67/696452267.db2.gz KVXKZABIGYWLBW-ZQDZILKHSA-N 2 2 314.433 1.700 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750814 696452269 /nfs/dbraw/zinc/45/22/69/696452269.db2.gz KVXKZABIGYWLBW-ZQDZILKHSA-N 2 2 314.433 1.700 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981209713 697035026 /nfs/dbraw/zinc/03/50/26/697035026.db2.gz KONTYXOLXDJYSX-UHFFFAOYSA-N 2 2 302.422 1.482 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981209713 697035028 /nfs/dbraw/zinc/03/50/28/697035028.db2.gz KONTYXOLXDJYSX-UHFFFAOYSA-N 2 2 302.422 1.482 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436116 697096425 /nfs/dbraw/zinc/09/64/25/697096425.db2.gz FWTRMTXSIBMMIH-HUUCEWRRSA-N 2 2 323.400 1.531 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986298076 697770979 /nfs/dbraw/zinc/77/09/79/697770979.db2.gz XIPUOIGGBYOBSP-HOCLYGCPSA-N 2 2 316.449 1.917 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166343 706648498 /nfs/dbraw/zinc/64/84/98/706648498.db2.gz UBDUSSZBLAVLTM-ULQDDVLXSA-N 2 2 323.481 1.329 20 30 DDEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166343 706648500 /nfs/dbraw/zinc/64/85/00/706648500.db2.gz UBDUSSZBLAVLTM-ULQDDVLXSA-N 2 2 323.481 1.329 20 30 DDEDLP CN(CCO)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848418405 703548314 /nfs/dbraw/zinc/54/83/14/703548314.db2.gz KAKDPBMIWMJEKV-UHFFFAOYSA-N 2 2 301.394 1.325 20 30 DDEDLP C[C@H]1CCCCN1[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000853378650 704237363 /nfs/dbraw/zinc/23/73/63/704237363.db2.gz ALTPWSZLROMJMB-AWEZNQCLSA-N 2 2 302.426 1.437 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1nc(Cl)c(C#N)s1 ZINC000853800070 704317469 /nfs/dbraw/zinc/31/74/69/704317469.db2.gz YUVZTIGATFWLSX-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(Cl)c(C#N)s1 ZINC000853800070 704317470 /nfs/dbraw/zinc/31/74/70/704317470.db2.gz YUVZTIGATFWLSX-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264160 706925884 /nfs/dbraw/zinc/92/58/84/706925884.db2.gz PBAKLGWKGQZPSF-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264160 706925886 /nfs/dbraw/zinc/92/58/86/706925886.db2.gz PBAKLGWKGQZPSF-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC000899967149 709253092 /nfs/dbraw/zinc/25/30/92/709253092.db2.gz BAEZHOVYFUNESV-UHFFFAOYSA-N 2 2 324.428 1.298 20 30 DDEDLP C=CC(C)(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521827 710451325 /nfs/dbraw/zinc/45/13/25/710451325.db2.gz HDWNCTALPUYYCC-UHFFFAOYSA-N 2 2 308.470 1.809 20 30 DDEDLP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918906912 713573255 /nfs/dbraw/zinc/57/32/55/713573255.db2.gz SYHSDTDAMAUJMB-OAHLLOKOSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918906912 713573256 /nfs/dbraw/zinc/57/32/56/713573256.db2.gz SYHSDTDAMAUJMB-OAHLLOKOSA-N 2 2 306.454 1.208 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398979 714342096 /nfs/dbraw/zinc/34/20/96/714342096.db2.gz PBLSWWZJENICDL-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923398979 714342099 /nfs/dbraw/zinc/34/20/99/714342099.db2.gz PBLSWWZJENICDL-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255863 716883836 /nfs/dbraw/zinc/88/38/36/716883836.db2.gz VVIXAWYRXVZYEK-LSDHHAIUSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255863 716883841 /nfs/dbraw/zinc/88/38/41/716883841.db2.gz VVIXAWYRXVZYEK-LSDHHAIUSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364052 717759916 /nfs/dbraw/zinc/75/99/16/717759916.db2.gz BBMXMCFFCCHWBK-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364052 717759922 /nfs/dbraw/zinc/75/99/22/717759922.db2.gz BBMXMCFFCCHWBK-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948760185 719691835 /nfs/dbraw/zinc/69/18/35/719691835.db2.gz VABAAKJESJEZAR-HNNXBMFYSA-N 2 2 302.422 1.871 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949840446 720376151 /nfs/dbraw/zinc/37/61/51/720376151.db2.gz DLRMUFJYIIFIDQ-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949840446 720376157 /nfs/dbraw/zinc/37/61/57/720376157.db2.gz DLRMUFJYIIFIDQ-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967161 722074468 /nfs/dbraw/zinc/07/44/68/722074468.db2.gz LWLZPGIDZLZVDW-GASCZTMLSA-N 2 2 323.400 1.734 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967161 722074470 /nfs/dbraw/zinc/07/44/70/722074470.db2.gz LWLZPGIDZLZVDW-GASCZTMLSA-N 2 2 323.400 1.734 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271312 732881872 /nfs/dbraw/zinc/88/18/72/732881872.db2.gz LFCDVLBDERLXJF-HUUCEWRRSA-N 2 2 316.449 1.976 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021678972 733435625 /nfs/dbraw/zinc/43/56/25/733435625.db2.gz KHNVLKYDRGBLIF-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021678972 733435626 /nfs/dbraw/zinc/43/56/26/733435626.db2.gz KHNVLKYDRGBLIF-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700537 733464215 /nfs/dbraw/zinc/46/42/15/733464215.db2.gz QYHQHJSSCPPBMK-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700537 733464220 /nfs/dbraw/zinc/46/42/20/733464220.db2.gz QYHQHJSSCPPBMK-HUUCEWRRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913842 738802023 /nfs/dbraw/zinc/80/20/23/738802023.db2.gz PGIAHSMQXDGUJZ-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913842 738802026 /nfs/dbraw/zinc/80/20/26/738802026.db2.gz PGIAHSMQXDGUJZ-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212658 782411707 /nfs/dbraw/zinc/41/17/07/782411707.db2.gz QHPUNRTZZWSCPP-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212658 782411712 /nfs/dbraw/zinc/41/17/12/782411712.db2.gz QHPUNRTZZWSCPP-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451454 735246439 /nfs/dbraw/zinc/24/64/39/735246439.db2.gz HYRGSWFIRYEYHA-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451454 735246443 /nfs/dbraw/zinc/24/64/43/735246443.db2.gz HYRGSWFIRYEYHA-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451454 735246445 /nfs/dbraw/zinc/24/64/45/735246445.db2.gz HYRGSWFIRYEYHA-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451454 735246448 /nfs/dbraw/zinc/24/64/48/735246448.db2.gz HYRGSWFIRYEYHA-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024618006 735985453 /nfs/dbraw/zinc/98/54/53/735985453.db2.gz OTYKHSVHRFEBNX-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304929 736414827 /nfs/dbraw/zinc/41/48/27/736414827.db2.gz QZJKWRBWPYKFBE-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304929 736414828 /nfs/dbraw/zinc/41/48/28/736414828.db2.gz QZJKWRBWPYKFBE-HZPDHXFCSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461277 736691151 /nfs/dbraw/zinc/69/11/51/736691151.db2.gz RUAPFQVNKWKOCA-KGLIPLIRSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025461277 736691154 /nfs/dbraw/zinc/69/11/54/736691154.db2.gz RUAPFQVNKWKOCA-KGLIPLIRSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027982741 738906166 /nfs/dbraw/zinc/90/61/66/738906166.db2.gz XETKUDCUVJFQHA-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027982741 738906167 /nfs/dbraw/zinc/90/61/67/738906167.db2.gz XETKUDCUVJFQHA-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027982741 738906169 /nfs/dbraw/zinc/90/61/69/738906169.db2.gz XETKUDCUVJFQHA-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027982741 738906171 /nfs/dbraw/zinc/90/61/71/738906171.db2.gz XETKUDCUVJFQHA-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584394 751404106 /nfs/dbraw/zinc/40/41/06/751404106.db2.gz XDTKKKRCZNIKCQ-OKZBNKHCSA-N 2 2 315.461 1.702 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584394 751404111 /nfs/dbraw/zinc/40/41/11/751404111.db2.gz XDTKKKRCZNIKCQ-OKZBNKHCSA-N 2 2 315.461 1.702 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584394 751404114 /nfs/dbraw/zinc/40/41/14/751404114.db2.gz XDTKKKRCZNIKCQ-OKZBNKHCSA-N 2 2 315.461 1.702 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584394 751404118 /nfs/dbraw/zinc/40/41/18/751404118.db2.gz XDTKKKRCZNIKCQ-OKZBNKHCSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028259202 739246140 /nfs/dbraw/zinc/24/61/40/739246140.db2.gz KVGCHSKDXKHCKH-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028259202 739246145 /nfs/dbraw/zinc/24/61/45/739246145.db2.gz KVGCHSKDXKHCKH-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001088391359 741457582 /nfs/dbraw/zinc/45/75/82/741457582.db2.gz JGUGDIYGBBMUBC-CVEARBPZSA-N 2 2 302.422 1.828 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998288111 751682203 /nfs/dbraw/zinc/68/22/03/751682203.db2.gz ABRZTNZRBNACQK-NWDGAFQWSA-N 2 2 316.327 1.507 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679734 742073619 /nfs/dbraw/zinc/07/36/19/742073619.db2.gz WPITXKBAVYXTNQ-YCPHGPKFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679734 742073623 /nfs/dbraw/zinc/07/36/23/742073623.db2.gz WPITXKBAVYXTNQ-YCPHGPKFSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001002815799 743469281 /nfs/dbraw/zinc/46/92/81/743469281.db2.gz NBPPTQMXTABXPL-UHFFFAOYSA-N 2 2 310.401 1.860 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001105730676 743766264 /nfs/dbraw/zinc/76/62/64/743766264.db2.gz SNIBCKDKHHLZAY-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001105730676 743766267 /nfs/dbraw/zinc/76/62/67/743766267.db2.gz SNIBCKDKHHLZAY-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183177063 743790562 /nfs/dbraw/zinc/79/05/62/743790562.db2.gz YWBYNWPPJVRPIL-RDTXWAMCSA-N 2 2 316.449 1.785 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211076 743992764 /nfs/dbraw/zinc/99/27/64/743992764.db2.gz HEQLIOMFUNFZGC-CQSZACIVSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185203285 744179498 /nfs/dbraw/zinc/17/94/98/744179498.db2.gz FIZDOQRJHYXBMG-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185503204 744238394 /nfs/dbraw/zinc/23/83/94/744238394.db2.gz PSGZDUBTFAKDGY-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185787346 744286024 /nfs/dbraw/zinc/28/60/24/744286024.db2.gz FQJZUGVAKJVCCT-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976265 744421111 /nfs/dbraw/zinc/42/11/11/744421111.db2.gz ORJRUXCFAKSBHB-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001088976265 744421114 /nfs/dbraw/zinc/42/11/14/744421114.db2.gz ORJRUXCFAKSBHB-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992488237 744914077 /nfs/dbraw/zinc/91/40/77/744914077.db2.gz NEOQLASQRBJWAP-GOEBONIOSA-N 2 2 311.857 1.948 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992488237 744914078 /nfs/dbraw/zinc/91/40/78/744914078.db2.gz NEOQLASQRBJWAP-GOEBONIOSA-N 2 2 311.857 1.948 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992704306 745128630 /nfs/dbraw/zinc/12/86/30/745128630.db2.gz AHVFQPYTQZMUHI-NUEKZKHPSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992704306 745128636 /nfs/dbraw/zinc/12/86/36/745128636.db2.gz AHVFQPYTQZMUHI-NUEKZKHPSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257791 746538097 /nfs/dbraw/zinc/53/80/97/746538097.db2.gz UCMQJTIZDPKGSV-KBPBESRZSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257791 746538100 /nfs/dbraw/zinc/53/81/00/746538100.db2.gz UCMQJTIZDPKGSV-KBPBESRZSA-N 2 2 311.857 1.804 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001036082189 752173644 /nfs/dbraw/zinc/17/36/44/752173644.db2.gz GASOQSSWTWAJOR-UKRRQHHQSA-N 2 2 303.406 1.645 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004371134 748373681 /nfs/dbraw/zinc/37/36/81/748373681.db2.gz JKXNZKGIJBDSQZ-CVEARBPZSA-N 2 2 304.438 1.307 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004371134 748373689 /nfs/dbraw/zinc/37/36/89/748373689.db2.gz JKXNZKGIJBDSQZ-CVEARBPZSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004371134 748373690 /nfs/dbraw/zinc/37/36/90/748373690.db2.gz JKXNZKGIJBDSQZ-CVEARBPZSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004371134 748373698 /nfs/dbraw/zinc/37/36/98/748373698.db2.gz JKXNZKGIJBDSQZ-CVEARBPZSA-N 2 2 304.438 1.307 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201041611 748405181 /nfs/dbraw/zinc/40/51/81/748405181.db2.gz DPNYZINRPRIBEB-OAHLLOKOSA-N 2 2 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C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461026 765851473 /nfs/dbraw/zinc/85/14/73/765851473.db2.gz KOUOAOVUVBQSMT-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461026 765851475 /nfs/dbraw/zinc/85/14/75/765851475.db2.gz KOUOAOVUVBQSMT-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461026 765851478 /nfs/dbraw/zinc/85/14/78/765851478.db2.gz KOUOAOVUVBQSMT-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461026 765851482 /nfs/dbraw/zinc/85/14/82/765851482.db2.gz KOUOAOVUVBQSMT-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504742 765896663 /nfs/dbraw/zinc/89/66/63/765896663.db2.gz ICLDWTHBDPXOFH-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504742 765896669 /nfs/dbraw/zinc/89/66/69/765896669.db2.gz ICLDWTHBDPXOFH-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045484690 766342141 /nfs/dbraw/zinc/34/21/41/766342141.db2.gz BJSKDKBAAHMWJT-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979239 766757851 /nfs/dbraw/zinc/75/78/51/766757851.db2.gz AWCOJOYZLYJMIS-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979239 766757855 /nfs/dbraw/zinc/75/78/55/766757855.db2.gz AWCOJOYZLYJMIS-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C(Cl)=C\Cl ZINC001129770428 766998220 /nfs/dbraw/zinc/99/82/20/766998220.db2.gz GHKNOTXVZYJVPC-ZKQHCESOSA-N 2 2 304.221 1.109 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C(Cl)=C\Cl ZINC001129770428 766998227 /nfs/dbraw/zinc/99/82/27/766998227.db2.gz GHKNOTXVZYJVPC-ZKQHCESOSA-N 2 2 304.221 1.109 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481323 767558354 /nfs/dbraw/zinc/55/83/54/767558354.db2.gz PRUWFHABMIRZEZ-QGZVFWFLSA-N 2 2 322.412 1.203 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433536 767558706 /nfs/dbraw/zinc/55/87/06/767558706.db2.gz HAWPBAFHUWQRHG-KDOFPFPSSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433536 767558709 /nfs/dbraw/zinc/55/87/09/767558709.db2.gz HAWPBAFHUWQRHG-KDOFPFPSSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433536 767558714 /nfs/dbraw/zinc/55/87/14/767558714.db2.gz HAWPBAFHUWQRHG-KDOFPFPSSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433536 767558717 /nfs/dbraw/zinc/55/87/17/767558717.db2.gz HAWPBAFHUWQRHG-KDOFPFPSSA-N 2 2 316.449 1.980 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875027 769279677 /nfs/dbraw/zinc/27/96/77/769279677.db2.gz REPIJTOIWPKREB-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875027 769279682 /nfs/dbraw/zinc/27/96/82/769279682.db2.gz REPIJTOIWPKREB-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919278 769321812 /nfs/dbraw/zinc/32/18/12/769321812.db2.gz HLYJBLHBLCIBHZ-ZFWWWQNUSA-N 2 2 310.401 1.884 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135756 769521714 /nfs/dbraw/zinc/52/17/14/769521714.db2.gz WNIDEOAHLQCNOE-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899962 770079405 /nfs/dbraw/zinc/07/94/05/770079405.db2.gz SWINNNNYLSSEHV-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899962 770079418 /nfs/dbraw/zinc/07/94/18/770079418.db2.gz SWINNNNYLSSEHV-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086737233 771537049 /nfs/dbraw/zinc/53/70/49/771537049.db2.gz CBORDNIXFVDFIC-ARFHVFGLSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561891 772895336 /nfs/dbraw/zinc/89/53/36/772895336.db2.gz LDGXMWYSPZKVQF-KGLIPLIRSA-N 2 2 319.474 1.612 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561891 772895337 /nfs/dbraw/zinc/89/53/37/772895337.db2.gz LDGXMWYSPZKVQF-KGLIPLIRSA-N 2 2 319.474 1.612 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767886 773222321 /nfs/dbraw/zinc/22/23/21/773222321.db2.gz SVXCTNQAIXTRKX-INIZCTEOSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767886 773222323 /nfs/dbraw/zinc/22/23/23/773222323.db2.gz SVXCTNQAIXTRKX-INIZCTEOSA-N 2 2 314.433 1.638 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785514 774611499 /nfs/dbraw/zinc/61/14/99/774611499.db2.gz GTYMEAIFXPIANI-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001036785514 774611501 /nfs/dbraw/zinc/61/15/01/774611501.db2.gz GTYMEAIFXPIANI-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908614 774715718 /nfs/dbraw/zinc/71/57/18/774715718.db2.gz FLKQYICISWTALY-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908614 774715726 /nfs/dbraw/zinc/71/57/26/774715726.db2.gz FLKQYICISWTALY-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001093546478 774822586 /nfs/dbraw/zinc/82/25/86/774822586.db2.gz MQVMRNAYAFRMHH-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324505 774947774 /nfs/dbraw/zinc/94/77/74/774947774.db2.gz NCWMDVYUFTWRRC-OAHLLOKOSA-N 2 2 316.449 1.891 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324505 774947777 /nfs/dbraw/zinc/94/77/77/774947777.db2.gz NCWMDVYUFTWRRC-OAHLLOKOSA-N 2 2 316.449 1.891 20 30 DDEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421920 777182145 /nfs/dbraw/zinc/18/21/45/777182145.db2.gz HDHKBYXBKFRHCP-AWEZNQCLSA-N 2 2 314.433 1.703 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357290 777760643 /nfs/dbraw/zinc/76/06/43/777760643.db2.gz GGEJQVVTLAEDSH-RRFJBIMHSA-N 2 2 302.422 1.421 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616469 778241631 /nfs/dbraw/zinc/24/16/31/778241631.db2.gz BZTYRURCTJQVTQ-OWCLPIDISA-N 2 2 304.438 1.922 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616469 778241635 /nfs/dbraw/zinc/24/16/35/778241635.db2.gz BZTYRURCTJQVTQ-OWCLPIDISA-N 2 2 304.438 1.922 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774500 779039450 /nfs/dbraw/zinc/03/94/50/779039450.db2.gz CZLGIPALMFNVAV-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774500 779039455 /nfs/dbraw/zinc/03/94/55/779039455.db2.gz CZLGIPALMFNVAV-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826285 779499951 /nfs/dbraw/zinc/49/99/51/779499951.db2.gz AITOBHJBTPJIHR-RDJZCZTQSA-N 2 2 300.406 1.267 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826285 779499954 /nfs/dbraw/zinc/49/99/54/779499954.db2.gz AITOBHJBTPJIHR-RDJZCZTQSA-N 2 2 300.406 1.267 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169255 837457589 /nfs/dbraw/zinc/45/75/89/837457589.db2.gz LYZNNAHJBCWENZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169255 837457595 /nfs/dbraw/zinc/45/75/95/837457595.db2.gz LYZNNAHJBCWENZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169255 837457601 /nfs/dbraw/zinc/45/76/01/837457601.db2.gz LYZNNAHJBCWENZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169255 837457606 /nfs/dbraw/zinc/45/76/06/837457606.db2.gz LYZNNAHJBCWENZ-BZUAXINKSA-N 2 2 314.433 1.897 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267111639 837371669 /nfs/dbraw/zinc/37/16/69/837371669.db2.gz KSHOZZOODCLMHR-JKSUJKDBSA-N 2 2 302.422 1.780 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267111639 837371679 /nfs/dbraw/zinc/37/16/79/837371679.db2.gz KSHOZZOODCLMHR-JKSUJKDBSA-N 2 2 302.422 1.780 20 30 DDEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267544439 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1.593 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001374240472 912289416 /nfs/dbraw/zinc/28/94/16/912289416.db2.gz CGWWZGDMKIIKNQ-CHWSQXEVSA-N 2 2 310.829 1.635 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219069131 877903524 /nfs/dbraw/zinc/90/35/24/877903524.db2.gz ZXQOZLKMDUVERI-OWCLPIDISA-N 2 2 318.421 1.149 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219069131 877903539 /nfs/dbraw/zinc/90/35/39/877903539.db2.gz ZXQOZLKMDUVERI-OWCLPIDISA-N 2 2 318.421 1.149 20 30 DDEDLP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277661873 886347713 /nfs/dbraw/zinc/34/77/13/886347713.db2.gz CIVMLECJCYVQNU-GOEBONIOSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC)CC1 ZINC001278183793 890011602 /nfs/dbraw/zinc/01/16/02/890011602.db2.gz CPMKRKYUNDQIDR-HZPDHXFCSA-N 2 2 314.433 1.470 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001278466808 892914052 /nfs/dbraw/zinc/91/40/52/892914052.db2.gz LEPBWDJIZHLDKS-NVXWUHKLSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001278466808 892914063 /nfs/dbraw/zinc/91/40/63/892914063.db2.gz LEPBWDJIZHLDKS-NVXWUHKLSA-N 2 2 300.406 1.099 20 30 DDEDLP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278519509 894047479 /nfs/dbraw/zinc/04/74/79/894047479.db2.gz RJCMSGIHFABIRN-RHSMWYFYSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001251847303 894838730 /nfs/dbraw/zinc/83/87/30/894838730.db2.gz CSORHFJKXYVYIT-LJQANCHMSA-N 2 2 316.445 1.594 20 30 DDEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001251847303 894838740 /nfs/dbraw/zinc/83/87/40/894838740.db2.gz CSORHFJKXYVYIT-LJQANCHMSA-N 2 2 316.445 1.594 20 30 DDEDLP C=C(C)C(=O)OCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945060 895571630 /nfs/dbraw/zinc/57/16/30/895571630.db2.gz WQJGXXGXNIYAQP-GOSISDBHSA-N 2 2 318.417 1.332 20 30 DDEDLP C=C(C)C(=O)OCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945060 895571634 /nfs/dbraw/zinc/57/16/34/895571634.db2.gz WQJGXXGXNIYAQP-GOSISDBHSA-N 2 2 318.417 1.332 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CCC2 ZINC001254664577 896563512 /nfs/dbraw/zinc/56/35/12/896563512.db2.gz ITHNFEDNPRIWKI-DZGCQCFKSA-N 2 2 315.421 1.203 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CCC2 ZINC001254664577 896563523 /nfs/dbraw/zinc/56/35/23/896563523.db2.gz ITHNFEDNPRIWKI-DZGCQCFKSA-N 2 2 315.421 1.203 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001278972302 897619517 /nfs/dbraw/zinc/61/95/17/897619517.db2.gz BRIAIJIDYYHDQB-ZBFHGGJFSA-N 2 2 316.449 1.589 20 30 DDEDLP C=CCCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264080859 900920748 /nfs/dbraw/zinc/92/07/48/900920748.db2.gz XXKJKNCXYXJTJW-HNNXBMFYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264080859 900920755 /nfs/dbraw/zinc/92/07/55/900920755.db2.gz XXKJKNCXYXJTJW-HNNXBMFYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264738715 901316892 /nfs/dbraw/zinc/31/68/92/901316892.db2.gz DAZUULNSDWVGFI-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264738715 901316899 /nfs/dbraw/zinc/31/68/99/901316899.db2.gz DAZUULNSDWVGFI-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264738715 901316906 /nfs/dbraw/zinc/31/69/06/901316906.db2.gz DAZUULNSDWVGFI-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264738715 901316913 /nfs/dbraw/zinc/31/69/13/901316913.db2.gz DAZUULNSDWVGFI-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001265540639 902113822 /nfs/dbraw/zinc/11/38/22/902113822.db2.gz YJEKJPCHZZBIFC-ZENOOKHLSA-N 2 2 317.437 1.603 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001265540639 902113830 /nfs/dbraw/zinc/11/38/30/902113830.db2.gz YJEKJPCHZZBIFC-ZENOOKHLSA-N 2 2 317.437 1.603 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265625993 902217952 /nfs/dbraw/zinc/21/79/52/902217952.db2.gz MDRJKVLHMJAIIW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265625993 902217962 /nfs/dbraw/zinc/21/79/62/902217962.db2.gz MDRJKVLHMJAIIW-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)CCC)O2 ZINC001280931195 904203448 /nfs/dbraw/zinc/20/34/48/904203448.db2.gz JYTZYBDJOPKHRH-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)CCC)O2 ZINC001280931195 904203462 /nfs/dbraw/zinc/20/34/62/904203462.db2.gz JYTZYBDJOPKHRH-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001281069457 904371736 /nfs/dbraw/zinc/37/17/36/904371736.db2.gz BAEKYKBZGVZMIO-GOSISDBHSA-N 2 2 324.428 1.921 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820756 906068308 /nfs/dbraw/zinc/06/83/08/906068308.db2.gz MMWXCRLNOZQINW-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820756 906068319 /nfs/dbraw/zinc/06/83/19/906068319.db2.gz MMWXCRLNOZQINW-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820756 906068331 /nfs/dbraw/zinc/06/83/31/906068331.db2.gz MMWXCRLNOZQINW-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820756 906068341 /nfs/dbraw/zinc/06/83/41/906068341.db2.gz MMWXCRLNOZQINW-ZFWWWQNUSA-N 2 2 302.422 1.438 20 30 DDEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284425577 908981140 /nfs/dbraw/zinc/98/11/40/908981140.db2.gz RXEZPAYTKFFZOI-ZDUSSCGKSA-N 2 2 302.378 1.162 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001377696028 922728138 /nfs/dbraw/zinc/72/81/38/922728138.db2.gz RFZXFQSFNCYUGR-CQSZACIVSA-N 2 2 310.829 1.854 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001377696028 922728144 /nfs/dbraw/zinc/72/81/44/922728144.db2.gz RFZXFQSFNCYUGR-CQSZACIVSA-N 2 2 310.829 1.854 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000591770600 355381861 /nfs/dbraw/zinc/38/18/61/355381861.db2.gz RNEFRAWHASTMIO-DVOMOZLQSA-N 2 2 321.396 1.257 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000591770600 355381864 /nfs/dbraw/zinc/38/18/64/355381864.db2.gz RNEFRAWHASTMIO-DVOMOZLQSA-N 2 2 321.396 1.257 20 30 DDEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050774 355780663 /nfs/dbraw/zinc/78/06/63/355780663.db2.gz IUGGIYOAZHRQFA-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050774 355780664 /nfs/dbraw/zinc/78/06/64/355780664.db2.gz IUGGIYOAZHRQFA-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594435178 356212962 /nfs/dbraw/zinc/21/29/62/356212962.db2.gz BTNOECBWOUCVSJ-IRXDYDNUSA-N 2 2 314.433 1.913 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594435178 356212964 /nfs/dbraw/zinc/21/29/64/356212964.db2.gz BTNOECBWOUCVSJ-IRXDYDNUSA-N 2 2 314.433 1.913 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000595334195 356452952 /nfs/dbraw/zinc/45/29/52/356452952.db2.gz QLWXFUNYTRHKFF-HDICACEKSA-N 2 2 322.497 1.512 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000595334195 356452954 /nfs/dbraw/zinc/45/29/54/356452954.db2.gz QLWXFUNYTRHKFF-HDICACEKSA-N 2 2 322.497 1.512 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505393 356523262 /nfs/dbraw/zinc/52/32/62/356523262.db2.gz SSYMAVPVMYDIGQ-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505393 356523263 /nfs/dbraw/zinc/52/32/63/356523263.db2.gz SSYMAVPVMYDIGQ-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505393 356523265 /nfs/dbraw/zinc/52/32/65/356523265.db2.gz SSYMAVPVMYDIGQ-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505393 356523266 /nfs/dbraw/zinc/52/32/66/356523266.db2.gz SSYMAVPVMYDIGQ-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597992894 357409535 /nfs/dbraw/zinc/40/95/35/357409535.db2.gz OYZZOLOPYWSSNN-QGZVFWFLSA-N 2 2 306.454 1.460 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597992894 357409540 /nfs/dbraw/zinc/40/95/40/357409540.db2.gz OYZZOLOPYWSSNN-QGZVFWFLSA-N 2 2 306.454 1.460 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000598699205 357693832 /nfs/dbraw/zinc/69/38/32/357693832.db2.gz CTCOMVIEKRQADQ-OAHLLOKOSA-N 2 2 302.422 1.941 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601164724 358429545 /nfs/dbraw/zinc/42/95/45/358429545.db2.gz GBULCDMGWGIZKK-UHFFFAOYSA-N 2 2 318.465 1.555 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601164724 358429546 /nfs/dbraw/zinc/42/95/46/358429546.db2.gz GBULCDMGWGIZKK-UHFFFAOYSA-N 2 2 318.465 1.555 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992734 360593737 /nfs/dbraw/zinc/59/37/37/360593737.db2.gz GGEVUXWBFAYCTN-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992734 360593738 /nfs/dbraw/zinc/59/37/38/360593738.db2.gz GGEVUXWBFAYCTN-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000611387646 360708939 /nfs/dbraw/zinc/70/89/39/360708939.db2.gz RJGWLIBLHGSNOP-HUUCEWRRSA-N 2 2 314.433 1.761 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000104154895 407348542 /nfs/dbraw/zinc/34/85/42/407348542.db2.gz FABWXIGQRORQHA-UHFFFAOYSA-N 2 2 306.410 1.533 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641409 407589990 /nfs/dbraw/zinc/58/99/90/407589990.db2.gz UHDVVRDOOUMWHU-WMZOPIPTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641409 407589991 /nfs/dbraw/zinc/58/99/91/407589991.db2.gz UHDVVRDOOUMWHU-WMZOPIPTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266641409 407589993 /nfs/dbraw/zinc/58/99/93/407589993.db2.gz UHDVVRDOOUMWHU-WMZOPIPTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266641409 407589994 /nfs/dbraw/zinc/58/99/94/407589994.db2.gz UHDVVRDOOUMWHU-WMZOPIPTSA-N 2 2 313.445 1.578 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131796605 407753187 /nfs/dbraw/zinc/75/31/87/407753187.db2.gz SRCYQGGERSQLLH-MRXNPFEDSA-N 2 2 303.406 1.959 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131796605 407753193 /nfs/dbraw/zinc/75/31/93/407753193.db2.gz SRCYQGGERSQLLH-MRXNPFEDSA-N 2 2 303.406 1.959 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153972072 407942873 /nfs/dbraw/zinc/94/28/73/407942873.db2.gz IGEJJCNEYOFKBV-ULQDDVLXSA-N 2 2 322.497 1.168 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150848409 408210886 /nfs/dbraw/zinc/21/08/86/408210886.db2.gz QINJNALLLXMGOH-HZPDHXFCSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150848409 408210892 /nfs/dbraw/zinc/21/08/92/408210892.db2.gz QINJNALLLXMGOH-HZPDHXFCSA-N 2 2 306.454 1.412 20 30 DDEDLP C#CCSCCNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160062801 408452772 /nfs/dbraw/zinc/45/27/72/408452772.db2.gz QOTYEVJWHDWCPT-HUUCEWRRSA-N 2 2 319.478 1.708 20 30 DDEDLP CC#CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000165926064 408813942 /nfs/dbraw/zinc/81/39/42/408813942.db2.gz PSXCZEURPVMKAP-UHFFFAOYSA-N 2 2 301.390 1.304 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295082333 409316451 /nfs/dbraw/zinc/31/64/51/409316451.db2.gz TZPZKQVAGQAXHH-UHFFFAOYSA-N 3 2 300.450 1.591 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295082333 409316452 /nfs/dbraw/zinc/31/64/52/409316452.db2.gz TZPZKQVAGQAXHH-UHFFFAOYSA-N 3 2 300.450 1.591 20 30 DDEDLP C[N@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCO)CC1 ZINC000357725166 410210479 /nfs/dbraw/zinc/21/04/79/410210479.db2.gz VIEJIGQMLXYRNA-UHFFFAOYSA-N 2 2 312.417 1.699 20 30 DDEDLP C[N@@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCO)CC1 ZINC000357725166 410210484 /nfs/dbraw/zinc/21/04/84/410210484.db2.gz VIEJIGQMLXYRNA-UHFFFAOYSA-N 2 2 312.417 1.699 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329507250 410333367 /nfs/dbraw/zinc/33/33/67/410333367.db2.gz AUYZRLCEUKZVKP-CYBMUJFWSA-N 2 2 305.426 1.455 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329507250 410333374 /nfs/dbraw/zinc/33/33/74/410333374.db2.gz AUYZRLCEUKZVKP-CYBMUJFWSA-N 2 2 305.426 1.455 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735343 410427726 /nfs/dbraw/zinc/42/77/26/410427726.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735343 410427730 /nfs/dbraw/zinc/42/77/30/410427730.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735343 410427733 /nfs/dbraw/zinc/42/77/33/410427733.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735343 410427739 /nfs/dbraw/zinc/42/77/39/410427739.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 2 305.426 1.597 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373914133 418471908 /nfs/dbraw/zinc/47/19/08/418471908.db2.gz UPPNFRBFNFDIJF-CYBMUJFWSA-N 2 2 316.405 1.358 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373914133 418471909 /nfs/dbraw/zinc/47/19/09/418471909.db2.gz UPPNFRBFNFDIJF-CYBMUJFWSA-N 2 2 316.405 1.358 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000374206070 418504134 /nfs/dbraw/zinc/50/41/34/418504134.db2.gz CFKHEMNMQKRBIM-INIZCTEOSA-N 2 2 301.394 1.398 20 30 DDEDLP C[NH+]=C(NCc1cccn1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261990748 222267771 /nfs/dbraw/zinc/26/77/71/222267771.db2.gz REFJJBKYKCKEQL-GOEBONIOSA-N 2 2 314.437 1.880 20 30 DDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)n1C ZINC000262534244 222285649 /nfs/dbraw/zinc/28/56/49/222285649.db2.gz OXRKEICMVGNKOT-UHFFFAOYSA-N 2 2 312.421 1.902 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2noc(C3CC3)n2)cc1 ZINC000267039959 222367785 /nfs/dbraw/zinc/36/77/85/222367785.db2.gz YRVUPXDPLFILEP-UHFFFAOYSA-N 2 2 315.377 1.846 20 30 DDEDLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1C#N ZINC000443974846 230041958 /nfs/dbraw/zinc/04/19/58/230041958.db2.gz WTUOTLDXZMBEGV-INIZCTEOSA-N 2 2 300.406 1.296 20 30 DDEDLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1C#N ZINC000443974846 230041960 /nfs/dbraw/zinc/04/19/60/230041960.db2.gz WTUOTLDXZMBEGV-INIZCTEOSA-N 2 2 300.406 1.296 20 30 DDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000442714334 420703761 /nfs/dbraw/zinc/70/37/61/420703761.db2.gz JXOHAEHOZVYZHG-JKSUJKDBSA-N 2 2 314.437 1.271 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000518759452 421665865 /nfs/dbraw/zinc/66/58/65/421665865.db2.gz VJCKTCAQPCXMSY-IRXDYDNUSA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000518759452 421665869 /nfs/dbraw/zinc/66/58/69/421665869.db2.gz VJCKTCAQPCXMSY-IRXDYDNUSA-N 2 2 304.434 1.839 20 30 DDEDLP CC(C)[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475735 421791751 /nfs/dbraw/zinc/79/17/51/421791751.db2.gz RIUVTSXJOUJOKA-ZWKOTPCHSA-N 2 2 324.513 1.683 20 30 DDEDLP CC(C)[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475735 421791754 /nfs/dbraw/zinc/79/17/54/421791754.db2.gz RIUVTSXJOUJOKA-ZWKOTPCHSA-N 2 2 324.513 1.683 20 30 DDEDLP C=CCCn1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000657303220 424277260 /nfs/dbraw/zinc/27/72/60/424277260.db2.gz KWXFWPBAMTYDFF-QGZVFWFLSA-N 2 2 320.485 1.216 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673433 424731108 /nfs/dbraw/zinc/73/11/08/424731108.db2.gz KXFYXYKIJYSEOQ-DOTOQJQBSA-N 2 2 309.454 1.158 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396954 266101658 /nfs/dbraw/zinc/10/16/58/266101658.db2.gz GNLJMWHZEGKTSO-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396954 266101665 /nfs/dbraw/zinc/10/16/65/266101665.db2.gz GNLJMWHZEGKTSO-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396954 266101669 /nfs/dbraw/zinc/10/16/69/266101669.db2.gz GNLJMWHZEGKTSO-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396954 266101672 /nfs/dbraw/zinc/10/16/72/266101672.db2.gz GNLJMWHZEGKTSO-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP Cn1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000372816462 267795291 /nfs/dbraw/zinc/79/52/91/267795291.db2.gz UJZQJVHDQOTZQD-INIZCTEOSA-N 2 2 301.438 1.109 20 30 DDEDLP Cn1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C#N ZINC000372816462 267795293 /nfs/dbraw/zinc/79/52/93/267795293.db2.gz UJZQJVHDQOTZQD-INIZCTEOSA-N 2 2 301.438 1.109 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000424189352 290024119 /nfs/dbraw/zinc/02/41/19/290024119.db2.gz KNCZJILSPJGUGT-CVEARBPZSA-N 2 2 300.406 1.523 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000424189352 290024121 /nfs/dbraw/zinc/02/41/21/290024121.db2.gz KNCZJILSPJGUGT-CVEARBPZSA-N 2 2 300.406 1.523 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000535045414 303342138 /nfs/dbraw/zinc/34/21/38/303342138.db2.gz LTTBTFLSFLRGPT-INIZCTEOSA-N 2 2 323.400 1.397 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000535045414 303342140 /nfs/dbraw/zinc/34/21/40/303342140.db2.gz LTTBTFLSFLRGPT-INIZCTEOSA-N 2 2 323.400 1.397 20 30 DDEDLP C=C(C)[C@H](CO)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711484 486498473 /nfs/dbraw/zinc/49/84/73/486498473.db2.gz ITPNBZZRZCDUHN-ZWKOTPCHSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711484 486498476 /nfs/dbraw/zinc/49/84/76/486498476.db2.gz ITPNBZZRZCDUHN-ZWKOTPCHSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711484 486498479 /nfs/dbraw/zinc/49/84/79/486498479.db2.gz ITPNBZZRZCDUHN-ZWKOTPCHSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@H](CO)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711484 486498481 /nfs/dbraw/zinc/49/84/81/486498481.db2.gz ITPNBZZRZCDUHN-ZWKOTPCHSA-N 2 2 304.434 1.492 20 30 DDEDLP COCC#CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000677817067 486547675 /nfs/dbraw/zinc/54/76/75/486547675.db2.gz GQQKCVDVODSPBS-UHFFFAOYSA-N 2 2 315.461 1.386 20 30 DDEDLP COCC#CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000677817067 486547676 /nfs/dbraw/zinc/54/76/76/486547676.db2.gz GQQKCVDVODSPBS-UHFFFAOYSA-N 2 2 315.461 1.386 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491736377 526817034 /nfs/dbraw/zinc/81/70/34/526817034.db2.gz RAMJEOGAMYYSRT-OAHLLOKOSA-N 2 2 317.437 1.323 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491736377 526817038 /nfs/dbraw/zinc/81/70/38/526817038.db2.gz RAMJEOGAMYYSRT-OAHLLOKOSA-N 2 2 317.437 1.323 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000490778319 526949901 /nfs/dbraw/zinc/94/99/01/526949901.db2.gz DEADSWKYBOQHDY-GOSISDBHSA-N 2 2 311.429 1.253 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000490778319 526949906 /nfs/dbraw/zinc/94/99/06/526949906.db2.gz DEADSWKYBOQHDY-GOSISDBHSA-N 2 2 311.429 1.253 20 30 DDEDLP C#CCn1ccc(C[N@@H+](CCCc2c[nH+]cn2C)CCOC)n1 ZINC000491729660 527186253 /nfs/dbraw/zinc/18/62/53/527186253.db2.gz NKYDAZWQGGMVNO-UHFFFAOYSA-N 2 2 315.421 1.331 20 30 DDEDLP C#CCn1ccc(C[N@H+](CCCc2c[nH+]cn2C)CCOC)n1 ZINC000491729660 527186261 /nfs/dbraw/zinc/18/62/61/527186261.db2.gz NKYDAZWQGGMVNO-UHFFFAOYSA-N 2 2 315.421 1.331 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491741490 527213065 /nfs/dbraw/zinc/21/30/65/527213065.db2.gz IORATNHPFNILCN-SJORKVTESA-N 2 2 313.445 1.845 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491741490 527213070 /nfs/dbraw/zinc/21/30/70/527213070.db2.gz IORATNHPFNILCN-SJORKVTESA-N 2 2 313.445 1.845 20 30 DDEDLP CCC[NH+]1CCC([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920869 528195803 /nfs/dbraw/zinc/19/58/03/528195803.db2.gz SKGBOKNOMIFZIM-AWEZNQCLSA-N 2 2 319.453 1.824 20 30 DDEDLP CCC[NH+]1CCC(NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920869 528195807 /nfs/dbraw/zinc/19/58/07/528195807.db2.gz SKGBOKNOMIFZIM-AWEZNQCLSA-N 2 2 319.453 1.824 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817941 695101841 /nfs/dbraw/zinc/10/18/41/695101841.db2.gz KYKJSLCZVFJPKJ-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817941 695101843 /nfs/dbraw/zinc/10/18/43/695101843.db2.gz KYKJSLCZVFJPKJ-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817941 695101845 /nfs/dbraw/zinc/10/18/45/695101845.db2.gz KYKJSLCZVFJPKJ-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817941 695101847 /nfs/dbraw/zinc/10/18/47/695101847.db2.gz KYKJSLCZVFJPKJ-KBPBESRZSA-N 2 2 302.422 1.542 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118552 697034747 /nfs/dbraw/zinc/03/47/47/697034747.db2.gz XTHQOMUKXQPFDT-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118552 697034748 /nfs/dbraw/zinc/03/47/48/697034748.db2.gz XTHQOMUKXQPFDT-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985644072 697549040 /nfs/dbraw/zinc/54/90/40/697549040.db2.gz TXFAAZSZGUBTNX-CQSZACIVSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985644072 697549042 /nfs/dbraw/zinc/54/90/42/697549042.db2.gz TXFAAZSZGUBTNX-CQSZACIVSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000986298073 697771064 /nfs/dbraw/zinc/77/10/64/697771064.db2.gz XIPUOIGGBYOBSP-GDBMZVCRSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122639 699239836 /nfs/dbraw/zinc/23/98/36/699239836.db2.gz WNKHRVCVMNEMKY-LGWLGOQQSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122639 699239837 /nfs/dbraw/zinc/23/98/37/699239837.db2.gz WNKHRVCVMNEMKY-LGWLGOQQSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991122639 699239840 /nfs/dbraw/zinc/23/98/40/699239840.db2.gz WNKHRVCVMNEMKY-LGWLGOQQSA-N 2 2 300.406 1.812 20 30 DDEDLP 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ZINC001108163318 750917478 /nfs/dbraw/zinc/91/74/78/750917478.db2.gz FWIWGISSPHYDMP-QGZVFWFLSA-N 2 2 321.421 1.348 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001108163318 750917480 /nfs/dbraw/zinc/91/74/80/750917480.db2.gz FWIWGISSPHYDMP-QGZVFWFLSA-N 2 2 321.421 1.348 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702960 752758786 /nfs/dbraw/zinc/75/87/86/752758786.db2.gz GCQRBTDDZNIHNA-IRXDYDNUSA-N 2 2 323.400 1.742 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032702960 752758793 /nfs/dbraw/zinc/75/87/93/752758793.db2.gz GCQRBTDDZNIHNA-IRXDYDNUSA-N 2 2 323.400 1.742 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537410 752981379 /nfs/dbraw/zinc/98/13/79/752981379.db2.gz SFOUWNVTXWAMPF-KGLIPLIRSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999991555 753301285 /nfs/dbraw/zinc/30/12/85/753301285.db2.gz 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C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108023494 753570742 /nfs/dbraw/zinc/57/07/42/753570742.db2.gz CMUUFRLLQZVRCM-DOTOQJQBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108023494 753570750 /nfs/dbraw/zinc/57/07/50/753570750.db2.gz CMUUFRLLQZVRCM-DOTOQJQBSA-N 2 2 309.454 1.254 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001001057246 754103542 /nfs/dbraw/zinc/10/35/42/754103542.db2.gz VNEKRKKAAPCXNC-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803306 754116694 /nfs/dbraw/zinc/11/66/94/754116694.db2.gz PZXFFAFBBTYGTG-BZSNNMDCSA-N 2 2 311.429 1.598 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803306 754116699 /nfs/dbraw/zinc/11/66/99/754116699.db2.gz PZXFFAFBBTYGTG-BZSNNMDCSA-N 2 2 311.429 1.598 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854346 762270326 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2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014504001 755765003 /nfs/dbraw/zinc/76/50/03/755765003.db2.gz TXEUZIWSMHODPV-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014504001 755765004 /nfs/dbraw/zinc/76/50/04/755765004.db2.gz TXEUZIWSMHODPV-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016585 756074724 /nfs/dbraw/zinc/07/47/24/756074724.db2.gz YJQAQSGNDHEGKW-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016585 756074728 /nfs/dbraw/zinc/07/47/28/756074728.db2.gz YJQAQSGNDHEGKW-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016585 756074732 /nfs/dbraw/zinc/07/47/32/756074732.db2.gz YJQAQSGNDHEGKW-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016585 756074737 /nfs/dbraw/zinc/07/47/37/756074737.db2.gz YJQAQSGNDHEGKW-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040236795 762451400 /nfs/dbraw/zinc/45/14/00/762451400.db2.gz PCYWISBFPVQRTB-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040236795 762451407 /nfs/dbraw/zinc/45/14/07/762451407.db2.gz PCYWISBFPVQRTB-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236795 762451412 /nfs/dbraw/zinc/45/14/12/762451412.db2.gz PCYWISBFPVQRTB-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040236795 762451420 /nfs/dbraw/zinc/45/14/20/762451420.db2.gz PCYWISBFPVQRTB-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200012 756674166 /nfs/dbraw/zinc/67/41/66/756674166.db2.gz MVJNAJURHHRQIV-IXDOHACOSA-N 2 2 321.465 1.088 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200012 756674169 /nfs/dbraw/zinc/67/41/69/756674169.db2.gz MVJNAJURHHRQIV-IXDOHACOSA-N 2 2 321.465 1.088 20 30 DDEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200012 756674173 /nfs/dbraw/zinc/67/41/73/756674173.db2.gz MVJNAJURHHRQIV-IXDOHACOSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001016336096 756934613 /nfs/dbraw/zinc/93/46/13/756934613.db2.gz IGURSYQMFQSYHS-HNNXBMFYSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001016336096 756934616 /nfs/dbraw/zinc/93/46/16/756934616.db2.gz IGURSYQMFQSYHS-HNNXBMFYSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040492924 762559373 /nfs/dbraw/zinc/55/93/73/762559373.db2.gz HPKZVWAJWXDSKO-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040492924 762559376 /nfs/dbraw/zinc/55/93/76/762559376.db2.gz HPKZVWAJWXDSKO-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017616929 758084922 /nfs/dbraw/zinc/08/49/22/758084922.db2.gz GXDGHYYELHOPMN-ZNMIVQPWSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017616929 758084932 /nfs/dbraw/zinc/08/49/32/758084932.db2.gz GXDGHYYELHOPMN-ZNMIVQPWSA-N 2 2 300.406 1.622 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097991 758148119 /nfs/dbraw/zinc/14/81/19/758148119.db2.gz IYHAGKZEASCNDG-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097991 758148121 /nfs/dbraw/zinc/14/81/21/758148121.db2.gz IYHAGKZEASCNDG-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2 ZINC001053414631 758444845 /nfs/dbraw/zinc/44/48/45/758444845.db2.gz QXLSCSVXMDOQNZ-OAHLLOKOSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053846706 758879287 /nfs/dbraw/zinc/87/92/87/758879287.db2.gz MCCALZGWCOYFIK-LSDHHAIUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053846706 758879298 /nfs/dbraw/zinc/87/92/98/758879298.db2.gz MCCALZGWCOYFIK-LSDHHAIUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001019062339 759555375 /nfs/dbraw/zinc/55/53/75/759555375.db2.gz PQELMFWIPNXKEK-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001019062339 759555378 /nfs/dbraw/zinc/55/53/78/759555378.db2.gz PQELMFWIPNXKEK-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046743188 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303.450 1.583 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138092 761772311 /nfs/dbraw/zinc/77/23/11/761772311.db2.gz TXJBLBLSWOINMI-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138092 761772317 /nfs/dbraw/zinc/77/23/17/761772317.db2.gz TXJBLBLSWOINMI-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138092 761772320 /nfs/dbraw/zinc/77/23/20/761772320.db2.gz TXJBLBLSWOINMI-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138092 761772325 /nfs/dbraw/zinc/77/23/25/761772325.db2.gz TXJBLBLSWOINMI-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503805 763084738 /nfs/dbraw/zinc/08/47/38/763084738.db2.gz SPVZNDLMVKDUKM-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 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ZINC001101585929 777277750 /nfs/dbraw/zinc/27/77/50/777277750.db2.gz MGSUSLWBMQSNOH-UHFFFAOYSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205184 777935665 /nfs/dbraw/zinc/93/56/65/777935665.db2.gz PKGODVGYIMVDFJ-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205184 777935671 /nfs/dbraw/zinc/93/56/71/777935671.db2.gz PKGODVGYIMVDFJ-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811113 778252437 /nfs/dbraw/zinc/25/24/37/778252437.db2.gz XHFSEAUVNWUDTN-INIZCTEOSA-N 2 2 304.438 1.951 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119724 778433913 /nfs/dbraw/zinc/43/39/13/778433913.db2.gz PCKQPOOIBVBCQX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119724 778433916 /nfs/dbraw/zinc/43/39/16/778433916.db2.gz PCKQPOOIBVBCQX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019387 779248586 /nfs/dbraw/zinc/24/85/86/779248586.db2.gz UOQRNWCQNRMEEK-ZNMIVQPWSA-N 2 2 300.406 1.048 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898669 844191791 /nfs/dbraw/zinc/19/17/91/844191791.db2.gz RLCUOVLFGRAXKJ-HRCADAONSA-N 2 2 302.422 1.628 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898669 844191799 /nfs/dbraw/zinc/19/17/99/844191799.db2.gz RLCUOVLFGRAXKJ-HRCADAONSA-N 2 2 302.422 1.628 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266793581 836844883 /nfs/dbraw/zinc/84/48/83/836844883.db2.gz QIJFEFVLMKSBKR-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266873857 836980663 /nfs/dbraw/zinc/98/06/63/836980663.db2.gz ZRNUBSAXWDXFHU-NVXWUHKLSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267658649 838597616 /nfs/dbraw/zinc/59/76/16/838597616.db2.gz QNXPVQKUQVNIDM-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267658649 838597624 /nfs/dbraw/zinc/59/76/24/838597624.db2.gz QNXPVQKUQVNIDM-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267910422 839179356 /nfs/dbraw/zinc/17/93/56/839179356.db2.gz IKIGTIIWIPCMAP-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023792 839409104 /nfs/dbraw/zinc/40/91/04/839409104.db2.gz QMNDAKBMQHGBOW-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023792 839409113 /nfs/dbraw/zinc/40/91/13/839409113.db2.gz QMNDAKBMQHGBOW-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)on1 ZINC001268372235 840075571 /nfs/dbraw/zinc/07/55/71/840075571.db2.gz HOYOBKQVBBTXFV-CJNGLKHVSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)on1 ZINC001268372235 840075575 /nfs/dbraw/zinc/07/55/75/840075575.db2.gz HOYOBKQVBBTXFV-CJNGLKHVSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001269579809 841778294 /nfs/dbraw/zinc/77/82/94/841778294.db2.gz NJOBZSUGYAXNHL-ALOPSCKCSA-N 2 2 314.433 1.798 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001269804855 842063014 /nfs/dbraw/zinc/06/30/14/842063014.db2.gz JGOXYLWSZIDZIX-KRWDZBQOSA-N 2 2 316.449 1.905 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001270049522 842254889 /nfs/dbraw/zinc/25/48/89/842254889.db2.gz APCPFPLFPVXYFT-INIZCTEOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001271278965 843464422 /nfs/dbraw/zinc/46/44/22/843464422.db2.gz VFPJPAQWYYADNL-GJZGRUSLSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272281797 845993415 /nfs/dbraw/zinc/99/34/15/845993415.db2.gz VMIVCHIPUDABSP-CABCVRRESA-N 2 2 304.438 1.987 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001272494858 846211525 /nfs/dbraw/zinc/21/15/25/846211525.db2.gz WXPUQOZENPNOIR-OAHLLOKOSA-N 2 2 310.401 1.799 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272789999 847429789 /nfs/dbraw/zinc/42/97/89/847429789.db2.gz HHGKXLHNVLIGJA-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001272789999 847429800 /nfs/dbraw/zinc/42/98/00/847429800.db2.gz HHGKXLHNVLIGJA-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)Cc3c[nH+]cn3C)cc2C1 ZINC001274036595 851874375 /nfs/dbraw/zinc/87/43/75/851874375.db2.gz OLYGESQGMGDMNH-UHFFFAOYSA-N 2 2 322.412 1.618 20 30 DDEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH+]cn3C)cc2C1 ZINC001274036595 851874385 /nfs/dbraw/zinc/87/43/85/851874385.db2.gz OLYGESQGMGDMNH-UHFFFAOYSA-N 2 2 322.412 1.618 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049557373 856973646 /nfs/dbraw/zinc/97/36/46/856973646.db2.gz GQQFPHZXKVCKSJ-BZUAXINKSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049557373 856973652 /nfs/dbraw/zinc/97/36/52/856973652.db2.gz GQQFPHZXKVCKSJ-BZUAXINKSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870344 857824870 /nfs/dbraw/zinc/82/48/70/857824870.db2.gz FUURMUQALHPZSZ-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870344 857824875 /nfs/dbraw/zinc/82/48/75/857824875.db2.gz FUURMUQALHPZSZ-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953170 858644123 /nfs/dbraw/zinc/64/41/23/858644123.db2.gz BPZIAKNGNVULAP-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001123944546 859487298 /nfs/dbraw/zinc/48/72/98/859487298.db2.gz ZIBNHUIMSFQWCT-WBVHZDCISA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001123944546 859487271 /nfs/dbraw/zinc/48/72/71/859487271.db2.gz ZIBNHUIMSFQWCT-WBVHZDCISA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001123944546 859487280 /nfs/dbraw/zinc/48/72/80/859487280.db2.gz ZIBNHUIMSFQWCT-WBVHZDCISA-N 2 2 303.450 1.559 20 30 DDEDLP C=CCc1cccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001138629719 860147326 /nfs/dbraw/zinc/14/73/26/860147326.db2.gz GVGINSXNXCQAAM-UHFFFAOYSA-N 2 2 301.434 1.552 20 30 DDEDLP C#CC[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772758 860181536 /nfs/dbraw/zinc/18/15/36/860181536.db2.gz ATVVXPFNMVNNBN-UHFFFAOYSA-N 2 2 301.434 1.378 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224787919 881536313 /nfs/dbraw/zinc/53/63/13/881536313.db2.gz KTEQUQLDVKLJSU-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224787919 881536321 /nfs/dbraw/zinc/53/63/21/881536321.db2.gz KTEQUQLDVKLJSU-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619016 863458950 /nfs/dbraw/zinc/45/89/50/863458950.db2.gz URNRCJAXSNROOO-ZBFHGGJFSA-N 2 2 304.438 1.745 20 30 DDEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248793 863681571 /nfs/dbraw/zinc/68/15/71/863681571.db2.gz XNEJBNZAISLLSV-MRXNPFEDSA-N 2 2 320.437 1.140 20 30 DDEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248793 863681575 /nfs/dbraw/zinc/68/15/75/863681575.db2.gz XNEJBNZAISLLSV-MRXNPFEDSA-N 2 2 320.437 1.140 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001329472965 863685255 /nfs/dbraw/zinc/68/52/55/863685255.db2.gz VXOZUXZUCQVBNJ-CVEARBPZSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001329472965 863685260 /nfs/dbraw/zinc/68/52/60/863685260.db2.gz VXOZUXZUCQVBNJ-CVEARBPZSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001329743372 863825237 /nfs/dbraw/zinc/82/52/37/863825237.db2.gz UXOFYCOPXOVQQV-BZUAXINKSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001329743372 863825245 /nfs/dbraw/zinc/82/52/45/863825245.db2.gz UXOFYCOPXOVQQV-BZUAXINKSA-N 2 2 316.449 1.999 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001157916184 864256738 /nfs/dbraw/zinc/25/67/38/864256738.db2.gz MVZNATIHESWZNR-UHFFFAOYSA-N 2 2 313.192 1.854 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158470373 864672408 /nfs/dbraw/zinc/67/24/08/864672408.db2.gz BZLHZCSHFYTJJU-HNNXBMFYSA-N 2 2 305.426 1.462 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158470373 864672418 /nfs/dbraw/zinc/67/24/18/864672418.db2.gz BZLHZCSHFYTJJU-HNNXBMFYSA-N 2 2 305.426 1.462 20 30 DDEDLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001381448818 881805968 /nfs/dbraw/zinc/80/59/68/881805968.db2.gz ODDGRHWABHAQIK-KBPBESRZSA-N 2 2 311.389 1.438 20 30 DDEDLP N#Cc1cc(C#N)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160512034 865895551 /nfs/dbraw/zinc/89/55/51/865895551.db2.gz RMMUTBORCXRPNW-HNNXBMFYSA-N 2 2 316.796 1.313 20 30 DDEDLP N#CCc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(Cl)c1 ZINC001160521374 865906899 /nfs/dbraw/zinc/90/68/99/865906899.db2.gz ZUPNNFQWFOKZKZ-OAHLLOKOSA-N 2 2 305.813 1.636 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319866040 866356935 /nfs/dbraw/zinc/35/69/35/866356935.db2.gz ZJESOSNTCTUFTC-XJKSGUPXSA-N 2 2 302.422 1.501 20 30 DDEDLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001161151150 866410694 /nfs/dbraw/zinc/41/06/94/866410694.db2.gz RFSRGKCIEPZQRI-GBESFXJTSA-N 2 2 323.440 1.227 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203658943 870698150 /nfs/dbraw/zinc/69/81/50/870698150.db2.gz FQFRESYVBOWOBQ-GJZGRUSLSA-N 2 2 302.422 1.854 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317380611 870741009 /nfs/dbraw/zinc/74/10/09/870741009.db2.gz FKPADRVOBHOTMT-AWEZNQCLSA-N 2 2 302.422 1.633 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317380611 870741023 /nfs/dbraw/zinc/74/10/23/870741023.db2.gz FKPADRVOBHOTMT-AWEZNQCLSA-N 2 2 302.422 1.633 20 30 DDEDLP C#CCC[NH2+][C@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317394083 870760701 /nfs/dbraw/zinc/76/07/01/870760701.db2.gz XRPDHPARVCZVSQ-CQSZACIVSA-N 2 2 302.422 1.270 20 30 DDEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340390788 871074571 /nfs/dbraw/zinc/07/45/71/871074571.db2.gz SZDRNRIPDQZLRH-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340390788 871074584 /nfs/dbraw/zinc/07/45/84/871074584.db2.gz SZDRNRIPDQZLRH-OAHLLOKOSA-N 2 2 318.469 1.763 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205538062 871617378 /nfs/dbraw/zinc/61/73/78/871617378.db2.gz ZUBUTDXPSJGYDE-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001318469305 872092907 /nfs/dbraw/zinc/09/29/07/872092907.db2.gz DHRBBXGVDREYCI-JKSUJKDBSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001318469305 872092931 /nfs/dbraw/zinc/09/29/31/872092931.db2.gz DHRBBXGVDREYCI-JKSUJKDBSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CC[NH2+]C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@H]1C ZINC001318745266 872242866 /nfs/dbraw/zinc/24/28/66/872242866.db2.gz MTRBKIRHXZKSOK-WBVHZDCISA-N 2 2 302.422 1.561 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533436 872419451 /nfs/dbraw/zinc/41/94/51/872419451.db2.gz IPNHKZUWDHVZGQ-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533436 872419455 /nfs/dbraw/zinc/41/94/55/872419455.db2.gz IPNHKZUWDHVZGQ-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319074984 872428225 /nfs/dbraw/zinc/42/82/25/872428225.db2.gz PPNRCEYSPHNDAI-MRXNPFEDSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970749 872864778 /nfs/dbraw/zinc/86/47/78/872864778.db2.gz GMMIWLSPAGSYNW-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435851 874140590 /nfs/dbraw/zinc/14/05/90/874140590.db2.gz OVSSRBMPADTZRX-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208451058 874155195 /nfs/dbraw/zinc/15/51/95/874155195.db2.gz QLLHRLBZIKFLDD-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669518 875482419 /nfs/dbraw/zinc/48/24/19/875482419.db2.gz YCTFTJRCZQYBCL-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855179 876817776 /nfs/dbraw/zinc/81/77/76/876817776.db2.gz NQGHBRLGCBYMLY-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855179 876817783 /nfs/dbraw/zinc/81/77/83/876817783.db2.gz NQGHBRLGCBYMLY-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCN(CCc1ccco1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357581553 880066271 /nfs/dbraw/zinc/06/62/71/880066271.db2.gz GYDCUQSNDCEYSH-UHFFFAOYSA-N 2 2 320.437 1.443 20 30 DDEDLP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001277412263 884122250 /nfs/dbraw/zinc/12/22/50/884122250.db2.gz VZJMZOZRRNPBNS-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001277412263 884122257 /nfs/dbraw/zinc/12/22/57/884122257.db2.gz VZJMZOZRRNPBNS-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001382505070 884145495 /nfs/dbraw/zinc/14/54/95/884145495.db2.gz LVXRPDQUZNYNQQ-AWEZNQCLSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001382505070 884145501 /nfs/dbraw/zinc/14/55/01/884145501.db2.gz LVXRPDQUZNYNQQ-AWEZNQCLSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001382505070 884145505 /nfs/dbraw/zinc/14/55/05/884145505.db2.gz LVXRPDQUZNYNQQ-AWEZNQCLSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001382505070 884145509 /nfs/dbraw/zinc/14/55/09/884145509.db2.gz LVXRPDQUZNYNQQ-AWEZNQCLSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001277440755 884289659 /nfs/dbraw/zinc/28/96/59/884289659.db2.gz FGPFYWVAGCVPFA-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001277440755 884289666 /nfs/dbraw/zinc/28/96/66/884289666.db2.gz FGPFYWVAGCVPFA-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP CCC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364880 886300895 /nfs/dbraw/zinc/30/08/95/886300895.db2.gz CEKWOFPKVIDMHQ-UHFFFAOYSA-N 2 2 301.438 1.959 20 30 DDEDLP CCC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364880 886300910 /nfs/dbraw/zinc/30/09/10/886300910.db2.gz CEKWOFPKVIDMHQ-UHFFFAOYSA-N 2 2 301.438 1.959 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001364368476 888472297 /nfs/dbraw/zinc/47/22/97/888472297.db2.gz UOUYSJXZEBGDAD-MRXNPFEDSA-N 2 2 311.389 1.147 20 30 DDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246546706 892689134 /nfs/dbraw/zinc/68/91/34/892689134.db2.gz DSNXVMIKWRVANQ-NVXWUHKLSA-N 2 2 307.438 1.849 20 30 DDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246546706 892689139 /nfs/dbraw/zinc/68/91/39/892689139.db2.gz DSNXVMIKWRVANQ-NVXWUHKLSA-N 2 2 307.438 1.849 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374814680 914013738 /nfs/dbraw/zinc/01/37/38/914013738.db2.gz BGTQRRMIYBTWJV-LLVKDONJSA-N 2 2 315.352 1.257 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001258315780 898136844 /nfs/dbraw/zinc/13/68/44/898136844.db2.gz BKHRLHNPUMHCGK-UHFFFAOYSA-N 2 2 309.454 1.065 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001263922779 900819760 /nfs/dbraw/zinc/81/97/60/900819760.db2.gz OYNRRWBCGHNXPC-JKSUJKDBSA-N 2 2 324.428 1.693 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265559537 902132319 /nfs/dbraw/zinc/13/23/19/902132319.db2.gz QIKJYFQOAFNVDL-IYBDPMFKSA-N 2 2 308.385 1.241 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001265653420 902258021 /nfs/dbraw/zinc/25/80/21/902258021.db2.gz ACNDMSQFVYCQLG-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001265653420 902258031 /nfs/dbraw/zinc/25/80/31/902258031.db2.gz ACNDMSQFVYCQLG-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001265653420 902258043 /nfs/dbraw/zinc/25/80/43/902258043.db2.gz ACNDMSQFVYCQLG-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001265653420 902258053 /nfs/dbraw/zinc/25/80/53/902258053.db2.gz ACNDMSQFVYCQLG-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001265653421 902258934 /nfs/dbraw/zinc/25/89/34/902258934.db2.gz ACNDMSQFVYCQLG-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001265653421 902258921 /nfs/dbraw/zinc/25/89/21/902258921.db2.gz ACNDMSQFVYCQLG-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001265653421 902258949 /nfs/dbraw/zinc/25/89/49/902258949.db2.gz ACNDMSQFVYCQLG-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001265653421 902258962 /nfs/dbraw/zinc/25/89/62/902258962.db2.gz ACNDMSQFVYCQLG-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001281292945 904660459 /nfs/dbraw/zinc/66/04/59/904660459.db2.gz KCNQRSFQPREQNN-UHFFFAOYSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001281292945 904660470 /nfs/dbraw/zinc/66/04/70/904660470.db2.gz KCNQRSFQPREQNN-UHFFFAOYSA-N 2 2 311.429 1.736 20 30 DDEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001282644512 905917912 /nfs/dbraw/zinc/91/79/12/905917912.db2.gz ZYRBBGRXYXFAMW-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C=CCOCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001283334440 907156715 /nfs/dbraw/zinc/15/67/15/907156715.db2.gz JNGOGMJXSLOCBT-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001283334440 907156726 /nfs/dbraw/zinc/15/67/26/907156726.db2.gz JNGOGMJXSLOCBT-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283510501 907501355 /nfs/dbraw/zinc/50/13/55/907501355.db2.gz ZWWCJOOJNBLSBX-NVXWUHKLSA-N 2 2 314.433 1.295 20 30 DDEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001396995621 914912151 /nfs/dbraw/zinc/91/21/51/914912151.db2.gz QPABGIBMBRLXMW-ZDUSSCGKSA-N 2 2 320.462 1.604 20 30 DDEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001396995621 914912164 /nfs/dbraw/zinc/91/21/64/914912164.db2.gz QPABGIBMBRLXMW-ZDUSSCGKSA-N 2 2 320.462 1.604 20 30 DDEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000328925147 539299754 /nfs/dbraw/zinc/29/97/54/539299754.db2.gz OBJYQGMIOKBWTE-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000328925147 539299756 /nfs/dbraw/zinc/29/97/56/539299756.db2.gz OBJYQGMIOKBWTE-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328925147 539299757 /nfs/dbraw/zinc/29/97/57/539299757.db2.gz OBJYQGMIOKBWTE-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328925147 539299759 /nfs/dbraw/zinc/29/97/59/539299759.db2.gz OBJYQGMIOKBWTE-HUUCEWRRSA-N 2 2 324.469 1.228 20 30 DDEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000152404060 282352692 /nfs/dbraw/zinc/35/26/92/282352692.db2.gz GTVJXAUMFWCVLP-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000152404060 282352693 /nfs/dbraw/zinc/35/26/93/282352693.db2.gz GTVJXAUMFWCVLP-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152404060 282352695 /nfs/dbraw/zinc/35/26/95/282352695.db2.gz GTVJXAUMFWCVLP-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152404060 282352696 /nfs/dbraw/zinc/35/26/96/282352696.db2.gz GTVJXAUMFWCVLP-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000066942710 353027189 /nfs/dbraw/zinc/02/71/89/353027189.db2.gz ICJMDXFTBHDIOC-OAHLLOKOSA-N 2 2 311.470 1.452 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000066942710 353027192 /nfs/dbraw/zinc/02/71/92/353027192.db2.gz ICJMDXFTBHDIOC-OAHLLOKOSA-N 2 2 311.470 1.452 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000314948072 354489760 /nfs/dbraw/zinc/48/97/60/354489760.db2.gz LCJUCGWXSOIUIT-HIFRSBDPSA-N 2 2 300.362 1.173 20 30 DDEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591665415 355357030 /nfs/dbraw/zinc/35/70/30/355357030.db2.gz XSHUFCIETCOCQC-BBWFWOEESA-N 2 2 315.417 1.644 20 30 DDEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000591665415 355357035 /nfs/dbraw/zinc/35/70/35/355357035.db2.gz XSHUFCIETCOCQC-BBWFWOEESA-N 2 2 315.417 1.644 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505688 356522636 /nfs/dbraw/zinc/52/26/36/356522636.db2.gz XDHGHJOTSILWAQ-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505688 356522642 /nfs/dbraw/zinc/52/26/42/356522642.db2.gz XDHGHJOTSILWAQ-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505688 356522646 /nfs/dbraw/zinc/52/26/46/356522646.db2.gz XDHGHJOTSILWAQ-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505688 356522651 /nfs/dbraw/zinc/52/26/51/356522651.db2.gz XDHGHJOTSILWAQ-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000600719441 358293972 /nfs/dbraw/zinc/29/39/72/358293972.db2.gz SPEVAXXJLNKMQU-OAHLLOKOSA-N 2 2 300.406 1.695 20 30 DDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000602508065 359018922 /nfs/dbraw/zinc/01/89/22/359018922.db2.gz LDIGXKLVMONGLK-CRAIPNDOSA-N 2 2 301.434 1.935 20 30 DDEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000602508065 359018925 /nfs/dbraw/zinc/01/89/25/359018925.db2.gz LDIGXKLVMONGLK-CRAIPNDOSA-N 2 2 301.434 1.935 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000602675955 359119382 /nfs/dbraw/zinc/11/93/82/359119382.db2.gz XODLWEGESUJACS-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000602675955 359119388 /nfs/dbraw/zinc/11/93/88/359119388.db2.gz XODLWEGESUJACS-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958905 209340025 /nfs/dbraw/zinc/34/00/25/209340025.db2.gz QPTRFMAWMCLHNZ-LRDDRELGSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958905 209340026 /nfs/dbraw/zinc/34/00/26/209340026.db2.gz QPTRFMAWMCLHNZ-LRDDRELGSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271868233 209280955 /nfs/dbraw/zinc/28/09/55/209280955.db2.gz LZYSGECKXZARQJ-OAHLLOKOSA-N 2 2 324.432 1.792 20 30 DDEDLP C=C[C@@H](C(=O)OC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000619719531 364130795 /nfs/dbraw/zinc/13/07/95/364130795.db2.gz HQFXVDMYUWOPJN-INIZCTEOSA-N 2 2 309.454 1.204 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000566424122 304154189 /nfs/dbraw/zinc/15/41/89/304154189.db2.gz IQVPHRJFFXBBBX-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268908194 207078113 /nfs/dbraw/zinc/07/81/13/207078113.db2.gz MIGAACNGKNRFHZ-RDJZCZTQSA-N 2 2 301.434 1.595 20 30 DDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268908194 207078116 /nfs/dbraw/zinc/07/81/16/207078116.db2.gz MIGAACNGKNRFHZ-RDJZCZTQSA-N 2 2 301.434 1.595 20 30 DDEDLP C=CC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000116955166 407801486 /nfs/dbraw/zinc/80/14/86/407801486.db2.gz HUCJMBRHJXLJCH-CQSZACIVSA-N 2 2 308.470 1.809 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043167 408551955 /nfs/dbraw/zinc/55/19/55/408551955.db2.gz NTMYGTTUOAVRJC-DOTOQJQBSA-N 2 2 312.417 1.547 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043167 408551960 /nfs/dbraw/zinc/55/19/60/408551960.db2.gz NTMYGTTUOAVRJC-DOTOQJQBSA-N 2 2 312.417 1.547 20 30 DDEDLP C[C@H](CC#N)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161813472 408642017 /nfs/dbraw/zinc/64/20/17/408642017.db2.gz PHBDYORQFJERLP-OAHLLOKOSA-N 2 2 315.421 1.354 20 30 DDEDLP C[C@H](CC#N)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161813472 408642022 /nfs/dbraw/zinc/64/20/22/408642022.db2.gz PHBDYORQFJERLP-OAHLLOKOSA-N 2 2 315.421 1.354 20 30 DDEDLP Cn1nncc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287379502 409028094 /nfs/dbraw/zinc/02/80/94/409028094.db2.gz PGUVVNIIQMQOKF-UHFFFAOYSA-N 2 2 310.405 1.441 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278404047 409080981 /nfs/dbraw/zinc/08/09/81/409080981.db2.gz NCKVSLKHDRYEIW-UHFFFAOYSA-N 2 2 301.398 1.398 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303906319 409555805 /nfs/dbraw/zinc/55/58/05/409555805.db2.gz ZVZVKRACKQIVPK-HNNXBMFYSA-N 2 2 314.499 1.145 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC)CC1 ZINC000296648752 409630068 /nfs/dbraw/zinc/63/00/68/409630068.db2.gz NDRLNNWZNKFOFQ-UHFFFAOYSA-N 2 2 305.426 1.743 20 30 DDEDLP Cc1nsc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)c1C#N ZINC000297308067 409903395 /nfs/dbraw/zinc/90/33/95/409903395.db2.gz BMZJSJBSXDWDKB-UHFFFAOYSA-N 2 2 316.434 1.421 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000328720732 409963469 /nfs/dbraw/zinc/96/34/69/409963469.db2.gz QTCSMMNBCAHBTH-UHFFFAOYSA-N 2 2 324.469 1.370 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000328720732 409963478 /nfs/dbraw/zinc/96/34/78/409963478.db2.gz QTCSMMNBCAHBTH-UHFFFAOYSA-N 2 2 324.469 1.370 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350744419 409989256 /nfs/dbraw/zinc/98/92/56/409989256.db2.gz AOGUNCKZGSXAGB-QGZVFWFLSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350744419 409989261 /nfs/dbraw/zinc/98/92/61/409989261.db2.gz AOGUNCKZGSXAGB-QGZVFWFLSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350744419 409989265 /nfs/dbraw/zinc/98/92/65/409989265.db2.gz AOGUNCKZGSXAGB-QGZVFWFLSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350744419 409989269 /nfs/dbraw/zinc/98/92/69/409989269.db2.gz AOGUNCKZGSXAGB-QGZVFWFLSA-N 2 2 305.466 1.851 20 30 DDEDLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000329104668 410104210 /nfs/dbraw/zinc/10/42/10/410104210.db2.gz OBXSRPNBBXMCHA-AWEZNQCLSA-N 2 2 312.458 1.085 20 30 DDEDLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000329104668 410104216 /nfs/dbraw/zinc/10/42/16/410104216.db2.gz OBXSRPNBBXMCHA-AWEZNQCLSA-N 2 2 312.458 1.085 20 30 DDEDLP CC(C)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330285335 410614779 /nfs/dbraw/zinc/61/47/79/410614779.db2.gz YTGBIJBHSNVJDK-AWEZNQCLSA-N 2 2 305.426 1.386 20 30 DDEDLP NC(=[NH+]OCC1OCCO1)c1ccccc1C[NH+]1CCCCC1 ZINC000191991420 222116377 /nfs/dbraw/zinc/11/63/77/222116377.db2.gz GKJZNZOEFOJNSG-UHFFFAOYSA-N 2 2 319.405 1.682 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000247338767 222228636 /nfs/dbraw/zinc/22/86/36/222228636.db2.gz GPWRLWUBMIJRNT-FRFSOERESA-N 2 2 315.421 1.574 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000247338767 222228637 /nfs/dbraw/zinc/22/86/37/222228637.db2.gz GPWRLWUBMIJRNT-FRFSOERESA-N 2 2 315.421 1.574 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N(C)C[C@H]1CCOC1 ZINC000261740962 222256956 /nfs/dbraw/zinc/25/69/56/222256956.db2.gz ZLNNKOVUPTYJJH-CYBMUJFWSA-N 2 2 305.426 1.263 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC[C@H]1CCCS1 ZINC000261969778 222264571 /nfs/dbraw/zinc/26/45/71/222264571.db2.gz MMQIJGPYVQHWQX-GFCCVEGCSA-N 2 2 310.471 1.047 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264234419 222328478 /nfs/dbraw/zinc/32/84/78/222328478.db2.gz CVAKIYOFVOMYSP-OAHLLOKOSA-N 3 2 318.469 1.662 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](COC)C1 ZINC000262458526 222282152 /nfs/dbraw/zinc/28/21/52/222282152.db2.gz LVHXWQZMLUUGKM-CQSZACIVSA-N 2 2 319.453 1.306 20 30 DDEDLP N#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266021283 222358356 /nfs/dbraw/zinc/35/83/56/222358356.db2.gz OYUFWTNGSCCOMN-QGZVFWFLSA-N 2 2 315.417 1.743 20 30 DDEDLP N#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266021283 222358358 /nfs/dbraw/zinc/35/83/58/222358358.db2.gz OYUFWTNGSCCOMN-QGZVFWFLSA-N 2 2 315.417 1.743 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000363715809 418769456 /nfs/dbraw/zinc/76/94/56/418769456.db2.gz VTUWNMCFSATGFB-UHFFFAOYSA-N 2 2 303.410 1.367 20 30 DDEDLP Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1C#N ZINC000365082352 418836457 /nfs/dbraw/zinc/83/64/57/418836457.db2.gz DHQRODAROCAHLF-WBVHZDCISA-N 2 2 302.422 1.487 20 30 DDEDLP C=CCN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365084084 418836911 /nfs/dbraw/zinc/83/69/11/418836911.db2.gz ZXNSQUYXIGCMBX-UHFFFAOYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000489393838 421152305 /nfs/dbraw/zinc/15/23/05/421152305.db2.gz CTHMKJPSXZLMMH-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000489393838 421152306 /nfs/dbraw/zinc/15/23/06/421152306.db2.gz CTHMKJPSXZLMMH-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528414625 421487569 /nfs/dbraw/zinc/48/75/69/421487569.db2.gz RPZTVTAEMRFSAO-KRWDZBQOSA-N 2 2 317.433 1.760 20 30 DDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000567995624 421616199 /nfs/dbraw/zinc/61/61/99/421616199.db2.gz QJDOOKXKWJCTCI-QGZVFWFLSA-N 2 2 311.389 1.505 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165248 421617443 /nfs/dbraw/zinc/61/74/43/421617443.db2.gz JFMRVYPNFGHFSW-STQMWFEESA-N 2 2 301.394 1.160 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165248 421617446 /nfs/dbraw/zinc/61/74/46/421617446.db2.gz JFMRVYPNFGHFSW-STQMWFEESA-N 2 2 301.394 1.160 20 30 DDEDLP Cc1cc(NCC[NH2+]C[C@@H](O)CC2(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000600760882 422411739 /nfs/dbraw/zinc/41/17/39/422411739.db2.gz IKORXHQINJTNKO-AWEZNQCLSA-N 2 2 317.437 1.965 20 30 DDEDLP C=CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]1 ZINC000662673611 424731164 /nfs/dbraw/zinc/73/11/64/424731164.db2.gz OOKPOYAAPQWNLW-SFHVURJKSA-N 2 2 314.433 1.996 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000357742624 268274882 /nfs/dbraw/zinc/27/48/82/268274882.db2.gz RRIZAPOGNIQMSI-UHFFFAOYSA-N 2 2 311.389 1.478 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262449111 276095584 /nfs/dbraw/zinc/09/55/84/276095584.db2.gz JKUBXWJANDTGQX-INIZCTEOSA-N 3 2 318.469 1.409 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000525885623 335138267 /nfs/dbraw/zinc/13/82/67/335138267.db2.gz BLJDDOVMJLJGBJ-HNNXBMFYSA-N 2 2 304.438 1.357 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000525885623 335138268 /nfs/dbraw/zinc/13/82/68/335138268.db2.gz BLJDDOVMJLJGBJ-HNNXBMFYSA-N 2 2 304.438 1.357 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)CC1 ZINC000520792080 337390909 /nfs/dbraw/zinc/39/09/09/337390909.db2.gz FHLHPENPJLGPED-QAPCUYQASA-N 2 2 318.465 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)CC1 ZINC000520792080 337390910 /nfs/dbraw/zinc/39/09/10/337390910.db2.gz FHLHPENPJLGPED-QAPCUYQASA-N 2 2 318.465 1.555 20 30 DDEDLP N#CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000495964045 339995677 /nfs/dbraw/zinc/99/56/77/339995677.db2.gz WKOAPDNEHIYXCF-KRWDZBQOSA-N 2 2 318.421 1.486 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771377 695731271 /nfs/dbraw/zinc/73/12/71/695731271.db2.gz XVMQEVNQBUCDAO-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771377 695731273 /nfs/dbraw/zinc/73/12/73/695731273.db2.gz XVMQEVNQBUCDAO-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccco1 ZINC000195522734 697746045 /nfs/dbraw/zinc/74/60/45/697746045.db2.gz WLSZPLKFZZQFGU-ZIAGYGMSSA-N 2 2 308.426 1.746 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989457178 698629751 /nfs/dbraw/zinc/62/97/51/698629751.db2.gz LQAHELPFBLPXKX-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989457178 698629754 /nfs/dbraw/zinc/62/97/54/698629754.db2.gz LQAHELPFBLPXKX-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457178 698629759 /nfs/dbraw/zinc/62/97/59/698629759.db2.gz LQAHELPFBLPXKX-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457178 698629765 /nfs/dbraw/zinc/62/97/65/698629765.db2.gz LQAHELPFBLPXKX-QGZVFWFLSA-N 2 2 305.466 1.809 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854757 698797451 /nfs/dbraw/zinc/79/74/51/698797451.db2.gz ULVJEFBMCMQVGF-RHSMWYFYSA-N 2 2 323.400 1.534 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990106758 698955606 /nfs/dbraw/zinc/95/56/06/698955606.db2.gz JKWIWAXZTILOOC-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990106758 698955609 /nfs/dbraw/zinc/95/56/09/698955609.db2.gz JKWIWAXZTILOOC-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990106758 698955612 /nfs/dbraw/zinc/95/56/12/698955612.db2.gz JKWIWAXZTILOOC-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990106758 698955615 /nfs/dbraw/zinc/95/56/15/698955615.db2.gz JKWIWAXZTILOOC-ZMSDIMECSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730106185 699501617 /nfs/dbraw/zinc/50/16/17/699501617.db2.gz VVLHQQUESHEXRD-NXOAAHMSSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730106185 699501618 /nfs/dbraw/zinc/50/16/18/699501618.db2.gz VVLHQQUESHEXRD-NXOAAHMSSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000766538930 701055314 /nfs/dbraw/zinc/05/53/14/701055314.db2.gz ZVEPKXVAJZVLKC-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000766538930 701055315 /nfs/dbraw/zinc/05/53/15/701055315.db2.gz ZVEPKXVAJZVLKC-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)[C@@H](CCC)C1 ZINC000766538930 701055316 /nfs/dbraw/zinc/05/53/16/701055316.db2.gz ZVEPKXVAJZVLKC-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)[C@@H](CCC)C1 ZINC000766538930 701055317 /nfs/dbraw/zinc/05/53/17/701055317.db2.gz ZVEPKXVAJZVLKC-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866264338 706661203 /nfs/dbraw/zinc/66/12/03/706661203.db2.gz YJQLIPMLCDQBLJ-KBPBESRZSA-N 2 2 302.422 1.550 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848409386 703547477 /nfs/dbraw/zinc/54/74/77/703547477.db2.gz VIBIWOLTFFYAPZ-ZDUSSCGKSA-N 2 2 312.377 1.926 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870134111 703923554 /nfs/dbraw/zinc/92/35/54/703923554.db2.gz JKQUPCYUBLMYFA-UHFFFAOYSA-N 2 2 303.406 1.154 20 30 DDEDLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000855417403 704484618 /nfs/dbraw/zinc/48/46/18/704484618.db2.gz GCPDZINMCWCESQ-UHFFFAOYSA-N 2 2 318.421 1.180 20 30 DDEDLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000855417403 704484619 /nfs/dbraw/zinc/48/46/19/704484619.db2.gz GCPDZINMCWCESQ-UHFFFAOYSA-N 2 2 318.421 1.180 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876730724 705844841 /nfs/dbraw/zinc/84/48/41/705844841.db2.gz LPVXBQPZDKPAIV-MLGOLLRUSA-N 2 2 309.373 1.146 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827700489 706052442 /nfs/dbraw/zinc/05/24/42/706052442.db2.gz VCTFGEHZGBKAJL-SFHVURJKSA-N 2 2 314.429 1.730 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827700489 706052445 /nfs/dbraw/zinc/05/24/45/706052445.db2.gz VCTFGEHZGBKAJL-SFHVURJKSA-N 2 2 314.429 1.730 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926864458 712914281 /nfs/dbraw/zinc/91/42/81/712914281.db2.gz HBBIRGWDUGJEDD-SJORKVTESA-N 2 2 322.497 1.701 20 30 DDEDLP C#C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021490 710542871 /nfs/dbraw/zinc/54/28/71/710542871.db2.gz GHGVRNPAYBSKIY-JKSUJKDBSA-N 2 2 318.465 1.352 20 30 DDEDLP C#C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021490 710542873 /nfs/dbraw/zinc/54/28/73/710542873.db2.gz GHGVRNPAYBSKIY-JKSUJKDBSA-N 2 2 318.465 1.352 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923393798 714339719 /nfs/dbraw/zinc/33/97/19/714339719.db2.gz YHIICVXGIBKDTJ-PQUAAJSLSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923393798 714339722 /nfs/dbraw/zinc/33/97/22/714339722.db2.gz YHIICVXGIBKDTJ-PQUAAJSLSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923427976 714352827 /nfs/dbraw/zinc/35/28/27/714352827.db2.gz MYDHCWBYTXJSEN-NVXWUHKLSA-N 2 2 315.417 1.562 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939816685 716440964 /nfs/dbraw/zinc/44/09/64/716440964.db2.gz QOPYBQLHKAWRBA-UKRRQHHQSA-N 2 2 317.458 1.176 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939816685 716440966 /nfs/dbraw/zinc/44/09/66/716440966.db2.gz QOPYBQLHKAWRBA-UKRRQHHQSA-N 2 2 317.458 1.176 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961733348 717078619 /nfs/dbraw/zinc/07/86/19/717078619.db2.gz ALXYGNZTNJRVKZ-RMRHIDDWSA-N 2 2 300.406 1.452 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961733348 717078623 /nfs/dbraw/zinc/07/86/23/717078623.db2.gz ALXYGNZTNJRVKZ-RMRHIDDWSA-N 2 2 300.406 1.452 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521491 717717968 /nfs/dbraw/zinc/71/79/68/717717968.db2.gz VHCJWOWLCWEVLI-HUUCEWRRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521491 717717971 /nfs/dbraw/zinc/71/79/71/717717971.db2.gz VHCJWOWLCWEVLI-HUUCEWRRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540848 719204352 /nfs/dbraw/zinc/20/43/52/719204352.db2.gz ZILCSJBDBXUQSN-CABCVRRESA-N 2 2 310.401 1.940 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540848 719204354 /nfs/dbraw/zinc/20/43/54/719204354.db2.gz ZILCSJBDBXUQSN-CABCVRRESA-N 2 2 310.401 1.940 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188427 719451442 /nfs/dbraw/zinc/45/14/42/719451442.db2.gz BQHMNUZCPUSGIF-SWLSCSKDSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968188427 719451445 /nfs/dbraw/zinc/45/14/45/719451445.db2.gz BQHMNUZCPUSGIF-SWLSCSKDSA-N 2 2 313.873 1.907 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968896170 719848976 /nfs/dbraw/zinc/84/89/76/719848976.db2.gz LCCWXBQIQSIMHO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000968896170 719848981 /nfs/dbraw/zinc/84/89/81/719848981.db2.gz LCCWXBQIQSIMHO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000968896170 719848986 /nfs/dbraw/zinc/84/89/86/719848986.db2.gz LCCWXBQIQSIMHO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000968896170 719848993 /nfs/dbraw/zinc/84/89/93/719848993.db2.gz LCCWXBQIQSIMHO-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000949329733 720020412 /nfs/dbraw/zinc/02/04/12/720020412.db2.gz BXTYMNMVRSQSAA-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000950660937 720724061 /nfs/dbraw/zinc/72/40/61/720724061.db2.gz AHJTYWRPPWDCAP-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027583426 738433680 /nfs/dbraw/zinc/43/36/80/738433680.db2.gz XTCFWKJGVDMLJC-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027583426 738433682 /nfs/dbraw/zinc/43/36/82/738433682.db2.gz XTCFWKJGVDMLJC-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001027636704 738496260 /nfs/dbraw/zinc/49/62/60/738496260.db2.gz IYSHVAAKKQUMQD-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001027636704 738496262 /nfs/dbraw/zinc/49/62/62/738496262.db2.gz IYSHVAAKKQUMQD-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717809 733481075 /nfs/dbraw/zinc/48/10/75/733481075.db2.gz RQMRKTYEJYUKMH-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717809 733481077 /nfs/dbraw/zinc/48/10/77/733481077.db2.gz RQMRKTYEJYUKMH-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448980 735240955 /nfs/dbraw/zinc/24/09/55/735240955.db2.gz DKECMNIMTHXUPC-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448980 735240958 /nfs/dbraw/zinc/24/09/58/735240958.db2.gz DKECMNIMTHXUPC-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647333 735999970 /nfs/dbraw/zinc/99/99/70/735999970.db2.gz LEINTWCFSDHBCP-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647333 735999972 /nfs/dbraw/zinc/99/99/72/735999972.db2.gz LEINTWCFSDHBCP-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(CC)CC ZINC001038365369 737396226 /nfs/dbraw/zinc/39/62/26/737396226.db2.gz BVVSRIKMDOEOBF-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038365369 737396229 /nfs/dbraw/zinc/39/62/29/737396229.db2.gz BVVSRIKMDOEOBF-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038365369 737396231 /nfs/dbraw/zinc/39/62/31/737396231.db2.gz BVVSRIKMDOEOBF-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038365369 737396234 /nfs/dbraw/zinc/39/62/34/737396234.db2.gz BVVSRIKMDOEOBF-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001107979594 751470735 /nfs/dbraw/zinc/47/07/35/751470735.db2.gz IQEPMTGMLFOTFH-ZBFHGGJFSA-N 2 2 315.433 1.059 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001107979594 751470738 /nfs/dbraw/zinc/47/07/38/751470738.db2.gz IQEPMTGMLFOTFH-ZBFHGGJFSA-N 2 2 315.433 1.059 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537110 751582332 /nfs/dbraw/zinc/58/23/32/751582332.db2.gz MEDYAMDQMCLPJK-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537110 751582339 /nfs/dbraw/zinc/58/23/39/751582339.db2.gz MEDYAMDQMCLPJK-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537110 751582343 /nfs/dbraw/zinc/58/23/43/751582343.db2.gz MEDYAMDQMCLPJK-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537110 751582349 /nfs/dbraw/zinc/58/23/49/751582349.db2.gz MEDYAMDQMCLPJK-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102261 741031160 /nfs/dbraw/zinc/03/11/60/741031160.db2.gz XHBQALIGWYBSNB-ILXRZTDVSA-N 2 2 314.433 1.796 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102261 741031162 /nfs/dbraw/zinc/03/11/62/741031162.db2.gz XHBQALIGWYBSNB-ILXRZTDVSA-N 2 2 314.433 1.796 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001035574211 751629543 /nfs/dbraw/zinc/62/95/43/751629543.db2.gz QJRIOEBFTOIVQG-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001035574211 751629546 /nfs/dbraw/zinc/62/95/46/751629546.db2.gz QJRIOEBFTOIVQG-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035574211 751629549 /nfs/dbraw/zinc/62/95/49/751629549.db2.gz QJRIOEBFTOIVQG-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001035574211 751629551 /nfs/dbraw/zinc/62/95/51/751629551.db2.gz QJRIOEBFTOIVQG-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001088337574 741410265 /nfs/dbraw/zinc/41/02/65/741410265.db2.gz IXBJIEMXQRUWPP-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967868 742289540 /nfs/dbraw/zinc/28/95/40/742289540.db2.gz VENSRUCTPBUALM-HRCADAONSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967868 742289544 /nfs/dbraw/zinc/28/95/44/742289544.db2.gz VENSRUCTPBUALM-HRCADAONSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967762 742289651 /nfs/dbraw/zinc/28/96/51/742289651.db2.gz UYAWGXBQCSBGDD-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967762 742289653 /nfs/dbraw/zinc/28/96/53/742289653.db2.gz UYAWGXBQCSBGDD-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032628552 751724556 /nfs/dbraw/zinc/72/45/56/751724556.db2.gz HCIUZYSFFNZFBI-PVAVHDDUSA-N 2 2 314.433 1.615 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032628552 751724563 /nfs/dbraw/zinc/72/45/63/751724563.db2.gz HCIUZYSFFNZFBI-PVAVHDDUSA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001108043413 743112641 /nfs/dbraw/zinc/11/26/41/743112641.db2.gz KGBOLFBNERKJRB-FUHWJXTLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001108043413 743112646 /nfs/dbraw/zinc/11/26/46/743112646.db2.gz KGBOLFBNERKJRB-FUHWJXTLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043413 743112649 /nfs/dbraw/zinc/11/26/49/743112649.db2.gz KGBOLFBNERKJRB-FUHWJXTLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043413 743112655 /nfs/dbraw/zinc/11/26/55/743112655.db2.gz KGBOLFBNERKJRB-FUHWJXTLSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181951784 743408383 /nfs/dbraw/zinc/40/83/83/743408383.db2.gz INFVCZPDYKMHAP-RVKKMQEKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035753238 751837620 /nfs/dbraw/zinc/83/76/20/751837620.db2.gz OEFOSAOPJZIXGT-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001105733533 743768573 /nfs/dbraw/zinc/76/85/73/743768573.db2.gz GDBPAKXILWPHTD-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272259 743997234 /nfs/dbraw/zinc/99/72/34/743997234.db2.gz DWSHETQJGBQRTG-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035798315 751886772 /nfs/dbraw/zinc/88/67/72/751886772.db2.gz LYOIRBBXBVAHFD-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185786805 744285558 /nfs/dbraw/zinc/28/55/58/744285558.db2.gz BGKBEFUINFDYTI-JSGCOSHPSA-N 2 2 310.829 1.710 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185968569 744321886 /nfs/dbraw/zinc/32/18/86/744321886.db2.gz ONVAHDHRNMBANK-LSDHHAIUSA-N 2 2 306.410 1.227 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444808 745209216 /nfs/dbraw/zinc/20/92/16/745209216.db2.gz RYMGHPZXNOHODB-KGLIPLIRSA-N 2 2 319.852 1.952 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009391 745403017 /nfs/dbraw/zinc/40/30/17/745403017.db2.gz HKTHFYSRKVVVCF-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009391 745403020 /nfs/dbraw/zinc/40/30/20/745403020.db2.gz HKTHFYSRKVVVCF-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011275 745403487 /nfs/dbraw/zinc/40/34/87/745403487.db2.gz SNAPGJDRHRCLTJ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011275 745403491 /nfs/dbraw/zinc/40/34/91/745403491.db2.gz SNAPGJDRHRCLTJ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010580 745404026 /nfs/dbraw/zinc/40/40/26/745404026.db2.gz NKDSQDJXLWWWAV-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010580 745404029 /nfs/dbraw/zinc/40/40/29/745404029.db2.gz NKDSQDJXLWWWAV-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535147 746201270 /nfs/dbraw/zinc/20/12/70/746201270.db2.gz AAZCUHGWGRHLPD-YOEHRIQHSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535147 746201272 /nfs/dbraw/zinc/20/12/72/746201272.db2.gz AAZCUHGWGRHLPD-YOEHRIQHSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535136 746201369 /nfs/dbraw/zinc/20/13/69/746201369.db2.gz AAZCUHGWGRHLPD-RHSMWYFYSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535136 746201371 /nfs/dbraw/zinc/20/13/71/746201371.db2.gz AAZCUHGWGRHLPD-RHSMWYFYSA-N 2 2 310.401 1.940 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004615977 748592110 /nfs/dbraw/zinc/59/21/10/748592110.db2.gz KEJGRPOSLQFNNJ-INIZCTEOSA-N 2 2 315.421 1.418 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004615977 748592115 /nfs/dbraw/zinc/59/21/15/748592115.db2.gz KEJGRPOSLQFNNJ-INIZCTEOSA-N 2 2 315.421 1.418 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001036239702 752288223 /nfs/dbraw/zinc/28/82/23/752288223.db2.gz HBEVLOCTQVHQNG-QAPCUYQASA-N 2 2 322.412 1.946 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001114488419 749272949 /nfs/dbraw/zinc/27/29/49/749272949.db2.gz MYOFVJMCUGKSEZ-SIXLDLHFSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001114488419 749272953 /nfs/dbraw/zinc/27/29/53/749272953.db2.gz MYOFVJMCUGKSEZ-SIXLDLHFSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430661 749352366 /nfs/dbraw/zinc/35/23/66/749352366.db2.gz ZROADEBSPMPCFJ-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430661 749352370 /nfs/dbraw/zinc/35/23/70/749352370.db2.gz ZROADEBSPMPCFJ-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483297 749947703 /nfs/dbraw/zinc/94/77/03/749947703.db2.gz ILJCCBYVHPGCAS-ILXRZTDVSA-N 2 2 317.458 1.778 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483297 749947707 /nfs/dbraw/zinc/94/77/07/749947707.db2.gz ILJCCBYVHPGCAS-ILXRZTDVSA-N 2 2 317.458 1.778 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876419 750013586 /nfs/dbraw/zinc/01/35/86/750013586.db2.gz BFBLXMMCQLRRBD-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876419 750013598 /nfs/dbraw/zinc/01/35/98/750013598.db2.gz BFBLXMMCQLRRBD-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095621245 750089183 /nfs/dbraw/zinc/08/91/83/750089183.db2.gz WUEIHUSEHYZKOF-KMFMINBZSA-N 2 2 308.385 1.921 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095621245 750089187 /nfs/dbraw/zinc/08/91/87/750089187.db2.gz WUEIHUSEHYZKOF-KMFMINBZSA-N 2 2 308.385 1.921 20 30 DDEDLP 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C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039449120 762040530 /nfs/dbraw/zinc/04/05/30/762040530.db2.gz IMWVXXZKVZQMDZ-UAGQMJEPSA-N 2 2 314.433 1.677 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000997138900 750552594 /nfs/dbraw/zinc/55/25/94/750552594.db2.gz TYLKJUWNCNBPKI-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997145246 750558113 /nfs/dbraw/zinc/55/81/13/750558113.db2.gz AOZIKLDQQDBORF-BPLDGKMQSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460367 762050645 /nfs/dbraw/zinc/05/06/45/762050645.db2.gz MVPXJYSDTBRTHO-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460367 762050650 /nfs/dbraw/zinc/05/06/50/762050650.db2.gz MVPXJYSDTBRTHO-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 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ZINC001046435115 767563520 /nfs/dbraw/zinc/56/35/20/767563520.db2.gz XUVFORQDZBAYGR-KBXCAEBGSA-N 2 2 314.433 1.427 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)c(F)c1 ZINC001132079816 768609887 /nfs/dbraw/zinc/60/98/87/768609887.db2.gz OCHZXKVFQSXONE-UHFFFAOYSA-N 2 2 315.352 1.190 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335307 768760617 /nfs/dbraw/zinc/76/06/17/768760617.db2.gz MHULUYPXRXKULF-JKSUJKDBSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335307 768760622 /nfs/dbraw/zinc/76/06/22/768760622.db2.gz MHULUYPXRXKULF-JKSUJKDBSA-N 2 2 316.449 1.999 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223791 769163621 /nfs/dbraw/zinc/16/36/21/769163621.db2.gz UTHNDTFANDZYOB-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223791 769163628 /nfs/dbraw/zinc/16/36/28/769163628.db2.gz UTHNDTFANDZYOB-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071233376 769175612 /nfs/dbraw/zinc/17/56/12/769175612.db2.gz IEGCDRMCADMOQZ-CXAGYDPISA-N 2 2 318.421 1.138 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071233376 769175620 /nfs/dbraw/zinc/17/56/20/769175620.db2.gz IEGCDRMCADMOQZ-CXAGYDPISA-N 2 2 318.421 1.138 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933451 770132126 /nfs/dbraw/zinc/13/21/26/770132126.db2.gz XEMNHHMCZWVTMX-GASCZTMLSA-N 2 2 310.401 1.914 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933451 770132133 /nfs/dbraw/zinc/13/21/33/770132133.db2.gz XEMNHHMCZWVTMX-GASCZTMLSA-N 2 2 310.401 1.914 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402083 770988659 /nfs/dbraw/zinc/98/86/59/770988659.db2.gz ANXAHZORWWYPAK-GJZGRUSLSA-N 2 2 316.449 1.658 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c([nH+]1)CCOC2 ZINC001171067667 772221894 /nfs/dbraw/zinc/22/18/94/772221894.db2.gz LHQMLJFYIFAUHJ-AWEZNQCLSA-N 2 2 319.405 1.793 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048479 774794464 /nfs/dbraw/zinc/79/44/64/774794464.db2.gz HATUANRIAAOZAJ-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048479 774794471 /nfs/dbraw/zinc/79/44/71/774794471.db2.gz HATUANRIAAOZAJ-OAHLLOKOSA-N 2 2 316.449 1.972 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882034 775948540 /nfs/dbraw/zinc/94/85/40/775948540.db2.gz FNBZATAVMJNETN-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882034 775948546 /nfs/dbraw/zinc/94/85/46/775948546.db2.gz FNBZATAVMJNETN-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001100347518 776033035 /nfs/dbraw/zinc/03/30/35/776033035.db2.gz GYDHZUNPOXAXRQ-UHFFFAOYSA-N 2 2 302.422 1.432 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100461004 776187046 /nfs/dbraw/zinc/18/70/46/776187046.db2.gz HPPXFBZLABKYMJ-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577515 776350645 /nfs/dbraw/zinc/35/06/45/776350645.db2.gz SQJQQUXRQRGQEP-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171895871 776508320 /nfs/dbraw/zinc/50/83/20/776508320.db2.gz GPVNECOYYKLSTI-OAHLLOKOSA-N 2 2 304.438 1.641 20 30 DDEDLP C=CCOC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127415 776629181 /nfs/dbraw/zinc/62/91/81/776629181.db2.gz IRPMLOZCINIXFK-MUJYYYPQSA-N 2 2 307.438 1.942 20 30 DDEDLP C=CCOC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127415 776629184 /nfs/dbraw/zinc/62/91/84/776629184.db2.gz IRPMLOZCINIXFK-MUJYYYPQSA-N 2 2 307.438 1.942 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001094945654 776876883 /nfs/dbraw/zinc/87/68/83/776876883.db2.gz BQJLXUAPKUWPAZ-QEJZJMRPSA-N 2 2 308.385 1.779 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063874 778423410 /nfs/dbraw/zinc/42/34/10/778423410.db2.gz FUQYPXRKZREDBT-MRXNPFEDSA-N 2 2 304.438 1.746 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103137135 778659908 /nfs/dbraw/zinc/65/99/08/778659908.db2.gz YSZWZPGLWALLJH-HUUCEWRRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103137135 778659912 /nfs/dbraw/zinc/65/99/12/778659912.db2.gz YSZWZPGLWALLJH-HUUCEWRRSA-N 2 2 317.433 1.893 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704069 779152595 /nfs/dbraw/zinc/15/25/95/779152595.db2.gz MDGNFAXBELSYTO-HOCLYGCPSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001178746501 779160596 /nfs/dbraw/zinc/16/05/96/779160596.db2.gz HOXGSQLLGQVUMT-HOCLYGCPSA-N 2 2 316.449 1.917 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178864552 779203308 /nfs/dbraw/zinc/20/33/08/779203308.db2.gz IZSFEZDLIBNYHE-OAHLLOKOSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885522 779538058 /nfs/dbraw/zinc/53/80/58/779538058.db2.gz RMINGHPXRQAKDA-ZOBUZTSGSA-N 2 2 302.422 1.991 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885522 779538061 /nfs/dbraw/zinc/53/80/61/779538061.db2.gz RMINGHPXRQAKDA-ZOBUZTSGSA-N 2 2 302.422 1.991 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899424 779546189 /nfs/dbraw/zinc/54/61/89/779546189.db2.gz MZACBIBIKSUKMP-MPGHIAIKSA-N 2 2 314.433 1.582 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899424 779546194 /nfs/dbraw/zinc/54/61/94/779546194.db2.gz MZACBIBIKSUKMP-MPGHIAIKSA-N 2 2 314.433 1.582 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899424 779546206 /nfs/dbraw/zinc/54/62/06/779546206.db2.gz MZACBIBIKSUKMP-MPGHIAIKSA-N 2 2 314.433 1.582 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899424 779546209 /nfs/dbraw/zinc/54/62/09/779546209.db2.gz MZACBIBIKSUKMP-MPGHIAIKSA-N 2 2 314.433 1.582 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001115601881 780261522 /nfs/dbraw/zinc/26/15/22/780261522.db2.gz XKEHIQKCLOJBOM-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001119317942 781402699 /nfs/dbraw/zinc/40/26/99/781402699.db2.gz OSAZHYPDAMJKHN-CVEARBPZSA-N 2 2 311.389 1.762 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355742 836164508 /nfs/dbraw/zinc/16/45/08/836164508.db2.gz NFYIBNHIHXTIOH-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355742 836164514 /nfs/dbraw/zinc/16/45/14/836164514.db2.gz NFYIBNHIHXTIOH-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001266374496 836185297 /nfs/dbraw/zinc/18/52/97/836185297.db2.gz ZUFWULNDGSVPBH-OAHLLOKOSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001266374496 836185302 /nfs/dbraw/zinc/18/53/02/836185302.db2.gz ZUFWULNDGSVPBH-OAHLLOKOSA-N 2 2 302.422 1.889 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469789 836307742 /nfs/dbraw/zinc/30/77/42/836307742.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266469789 836307753 /nfs/dbraw/zinc/30/77/53/836307753.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469789 836307766 /nfs/dbraw/zinc/30/77/66/836307766.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266469789 836307781 /nfs/dbraw/zinc/30/77/81/836307781.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267548462 838286481 /nfs/dbraw/zinc/28/64/81/838286481.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267548462 838286487 /nfs/dbraw/zinc/28/64/87/838286487.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267548462 838286491 /nfs/dbraw/zinc/28/64/91/838286491.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267548462 838286494 /nfs/dbraw/zinc/28/64/94/838286494.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268072540 839644784 /nfs/dbraw/zinc/64/47/84/839644784.db2.gz UWZRFFSOXVBBCG-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268316475 839990843 /nfs/dbraw/zinc/99/08/43/839990843.db2.gz SVLQZHBUPBTOGF-TZMCWYRMSA-N 2 2 316.405 1.598 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001268496029 840307883 /nfs/dbraw/zinc/30/78/83/840307883.db2.gz MIKFNXVTBCSMNB-UHFFFAOYSA-N 2 2 301.434 1.885 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001268496029 840307896 /nfs/dbraw/zinc/30/78/96/840307896.db2.gz MIKFNXVTBCSMNB-UHFFFAOYSA-N 2 2 301.434 1.885 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268768116 840773059 /nfs/dbraw/zinc/77/30/59/840773059.db2.gz VJXRBZFQGHYPOR-GOEBONIOSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268768116 840773065 /nfs/dbraw/zinc/77/30/65/840773065.db2.gz VJXRBZFQGHYPOR-GOEBONIOSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269622077 841839111 /nfs/dbraw/zinc/83/91/11/841839111.db2.gz AKVCOUKXXUQSCW-KSSFIOAISA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCOCC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001270864115 842982665 /nfs/dbraw/zinc/98/26/65/842982665.db2.gz PNAMUYMCKADIGJ-UHFFFAOYSA-N 2 2 318.421 1.079 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272223054 844768944 /nfs/dbraw/zinc/76/89/44/844768944.db2.gz CHGHMXABCIYMEV-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272223054 844768947 /nfs/dbraw/zinc/76/89/47/844768947.db2.gz CHGHMXABCIYMEV-GOEBONIOSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001326656705 861516335 /nfs/dbraw/zinc/51/63/35/861516335.db2.gz YBBLGRNNIJEBBC-HZPDHXFCSA-N 2 2 311.470 1.356 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001326656705 861516348 /nfs/dbraw/zinc/51/63/48/861516348.db2.gz YBBLGRNNIJEBBC-HZPDHXFCSA-N 2 2 311.470 1.356 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001149553207 861706524 /nfs/dbraw/zinc/70/65/24/861706524.db2.gz FYDNSDMAOWZYLC-UHFFFAOYSA-N 2 2 311.389 1.130 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279676 848243674 /nfs/dbraw/zinc/24/36/74/848243674.db2.gz VRVXMGADUMLFTN-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279676 848243684 /nfs/dbraw/zinc/24/36/84/848243684.db2.gz VRVXMGADUMLFTN-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001327225386 861977220 /nfs/dbraw/zinc/97/72/20/861977220.db2.gz MFPYPFFNGCZWDN-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001327225386 861977226 /nfs/dbraw/zinc/97/72/26/861977226.db2.gz MFPYPFFNGCZWDN-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275865060 853884706 /nfs/dbraw/zinc/88/47/06/853884706.db2.gz DMVABBGJFBYVGZ-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275865060 853884716 /nfs/dbraw/zinc/88/47/16/853884716.db2.gz DMVABBGJFBYVGZ-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202441 863215809 /nfs/dbraw/zinc/21/58/09/863215809.db2.gz MMYCFGCMTNKHSG-UHFFFAOYSA-N 2 2 323.462 1.015 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202441 863215822 /nfs/dbraw/zinc/21/58/22/863215822.db2.gz MMYCFGCMTNKHSG-UHFFFAOYSA-N 2 2 323.462 1.015 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157154241 863617509 /nfs/dbraw/zinc/61/75/09/863617509.db2.gz YLPOMVBMYDLSES-GDBMZVCRSA-N 2 2 304.438 1.697 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157154241 863617518 /nfs/dbraw/zinc/61/75/18/863617518.db2.gz YLPOMVBMYDLSES-GDBMZVCRSA-N 2 2 304.438 1.697 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329476348 863689481 /nfs/dbraw/zinc/68/94/81/863689481.db2.gz ZHWURURYXGHZSS-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001329935829 863956682 /nfs/dbraw/zinc/95/66/82/863956682.db2.gz FVHAQHASQUAJOS-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001329935829 863956691 /nfs/dbraw/zinc/95/66/91/863956691.db2.gz FVHAQHASQUAJOS-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001330464799 864371418 /nfs/dbraw/zinc/37/14/18/864371418.db2.gz BBPCCWGGYXPZPL-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001330464799 864371437 /nfs/dbraw/zinc/37/14/37/864371437.db2.gz BBPCCWGGYXPZPL-JYJNAYRXSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092061 864402456 /nfs/dbraw/zinc/40/24/56/864402456.db2.gz BLIZHRCBRABUID-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092061 864402463 /nfs/dbraw/zinc/40/24/63/864402463.db2.gz BLIZHRCBRABUID-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001330622454 864492854 /nfs/dbraw/zinc/49/28/54/864492854.db2.gz PSZUMFSMUGIEHD-JYJNAYRXSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158514279 864701274 /nfs/dbraw/zinc/70/12/74/864701274.db2.gz IWZBLTWSWYHSDQ-UHFFFAOYSA-N 2 2 310.829 1.610 20 30 DDEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331294213 864994036 /nfs/dbraw/zinc/99/40/36/864994036.db2.gz IGKNJSLVUMMABH-JKSUJKDBSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001331894796 865418804 /nfs/dbraw/zinc/41/88/04/865418804.db2.gz DIICJJRZMWQQDF-DZGCQCFKSA-N 2 2 303.406 1.788 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001324482686 867304433 /nfs/dbraw/zinc/30/44/33/867304433.db2.gz MHZZEFLXZRJCGV-OAHLLOKOSA-N 2 2 302.422 1.251 20 30 DDEDLP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001321176981 867373295 /nfs/dbraw/zinc/37/32/95/867373295.db2.gz AGEIEHGFMYBXPT-PLNGDYQASA-N 2 2 322.412 1.587 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001325597678 868167572 /nfs/dbraw/zinc/16/75/72/868167572.db2.gz XCPYIUAEBRVXLJ-LSDHHAIUSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317172709 870412406 /nfs/dbraw/zinc/41/24/06/870412406.db2.gz KMEADYHIKZYYCU-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317172709 870412418 /nfs/dbraw/zinc/41/24/18/870412418.db2.gz KMEADYHIKZYYCU-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317399851 870769533 /nfs/dbraw/zinc/76/95/33/870769533.db2.gz WOEGGBZYQCYYDW-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787191 871502705 /nfs/dbraw/zinc/50/27/05/871502705.db2.gz DCOIXAZPLRJHEI-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787191 871502713 /nfs/dbraw/zinc/50/27/13/871502713.db2.gz DCOIXAZPLRJHEI-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[N@H+](CC)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001316893045 872253326 /nfs/dbraw/zinc/25/33/26/872253326.db2.gz HPHKEYSWVUKQAT-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[N@@H+](CC)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001316893045 872253345 /nfs/dbraw/zinc/25/33/45/872253345.db2.gz HPHKEYSWVUKQAT-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[NH+](CC)CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001316893045 872253365 /nfs/dbraw/zinc/25/33/65/872253365.db2.gz HPHKEYSWVUKQAT-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[NH+](CC)CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001316893045 872253385 /nfs/dbraw/zinc/25/33/85/872253385.db2.gz HPHKEYSWVUKQAT-INIZCTEOSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319311752 872563396 /nfs/dbraw/zinc/56/33/96/872563396.db2.gz XKAWXTWTIQGMMJ-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319311752 872563411 /nfs/dbraw/zinc/56/34/11/872563411.db2.gz XKAWXTWTIQGMMJ-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263645 873155808 /nfs/dbraw/zinc/15/58/08/873155808.db2.gz YSXRZMUZSSLGPJ-MRVWCRGKSA-N 2 2 319.852 1.855 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263645 873155814 /nfs/dbraw/zinc/15/58/14/873155814.db2.gz YSXRZMUZSSLGPJ-MRVWCRGKSA-N 2 2 319.852 1.855 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451155 874155933 /nfs/dbraw/zinc/15/59/33/874155933.db2.gz SBSGCMUKRNKCEN-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451155 874155937 /nfs/dbraw/zinc/15/59/37/874155937.db2.gz SBSGCMUKRNKCEN-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210436926 875386781 /nfs/dbraw/zinc/38/67/81/875386781.db2.gz GVSOACZDABZQTH-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227458552 883028197 /nfs/dbraw/zinc/02/81/97/883028197.db2.gz FVDHFWMQNDTPOZ-HUUCEWRRSA-N 2 2 310.401 1.988 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364872 879341178 /nfs/dbraw/zinc/34/11/78/879341178.db2.gz ZTIJYRKBZBMECM-CYBMUJFWSA-N 2 2 318.259 1.427 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364872 879341194 /nfs/dbraw/zinc/34/11/94/879341194.db2.gz ZTIJYRKBZBMECM-CYBMUJFWSA-N 2 2 318.259 1.427 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603463 879966765 /nfs/dbraw/zinc/96/67/65/879966765.db2.gz KVQPZWBRRBMUPM-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603463 879966774 /nfs/dbraw/zinc/96/67/74/879966774.db2.gz KVQPZWBRRBMUPM-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603463 879966787 /nfs/dbraw/zinc/96/67/87/879966787.db2.gz KVQPZWBRRBMUPM-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221603463 879966800 /nfs/dbraw/zinc/96/68/00/879966800.db2.gz KVQPZWBRRBMUPM-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835758 880113221 /nfs/dbraw/zinc/11/32/21/880113221.db2.gz ZKWJMJLGCSWIDZ-IIAWOOMASA-N 2 2 302.422 1.840 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835758 880113225 /nfs/dbraw/zinc/11/32/25/880113225.db2.gz ZKWJMJLGCSWIDZ-IIAWOOMASA-N 2 2 302.422 1.840 20 30 DDEDLP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277661875 886347076 /nfs/dbraw/zinc/34/70/76/886347076.db2.gz CIVMLECJCYVQNU-ZBFHGGJFSA-N 2 2 302.422 1.458 20 30 DDEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CC[NH+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234422706 887955078 /nfs/dbraw/zinc/95/50/78/887955078.db2.gz IWYHVQUTWQQIID-YPDBZUBKSA-N 2 2 300.402 1.666 20 30 DDEDLP C[NH+]1[C@@H]2C[C@@H](Oc3cccc4c3CC[N@H+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234422706 887955081 /nfs/dbraw/zinc/95/50/81/887955081.db2.gz IWYHVQUTWQQIID-YPDBZUBKSA-N 2 2 300.402 1.666 20 30 DDEDLP C[NH+]1[C@@H]2C[C@@H](Oc3cccc4c3CC[N@@H+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234422706 887955086 /nfs/dbraw/zinc/95/50/86/887955086.db2.gz IWYHVQUTWQQIID-YPDBZUBKSA-N 2 2 300.402 1.666 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001278466807 892913884 /nfs/dbraw/zinc/91/38/84/892913884.db2.gz LEPBWDJIZHLDKS-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001278466807 892913890 /nfs/dbraw/zinc/91/38/90/892913890.db2.gz LEPBWDJIZHLDKS-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278519510 894047514 /nfs/dbraw/zinc/04/75/14/894047514.db2.gz RJCMSGIHFABIRN-WMLDXEAASA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278608421 894472730 /nfs/dbraw/zinc/47/27/30/894472730.db2.gz LNRZFDHDUSQNEE-HUUCEWRRSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001252464101 895176438 /nfs/dbraw/zinc/17/64/38/895176438.db2.gz UFVDHTYJWVSUQS-JFIYKMOQSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCN1CC[C@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254517173 896475415 /nfs/dbraw/zinc/47/54/15/896475415.db2.gz FGXDAEQTNAYQQV-WMZOPIPTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517173 896475427 /nfs/dbraw/zinc/47/54/27/896475427.db2.gz FGXDAEQTNAYQQV-WMZOPIPTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517173 896475436 /nfs/dbraw/zinc/47/54/36/896475436.db2.gz FGXDAEQTNAYQQV-WMZOPIPTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517173 896475443 /nfs/dbraw/zinc/47/54/43/896475443.db2.gz FGXDAEQTNAYQQV-WMZOPIPTSA-N 2 2 305.466 1.971 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256629917 897513094 /nfs/dbraw/zinc/51/30/94/897513094.db2.gz WEMVVUBONDCDQM-YIONKMFJSA-N 2 2 305.422 1.780 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256629917 897513099 /nfs/dbraw/zinc/51/30/99/897513099.db2.gz WEMVVUBONDCDQM-YIONKMFJSA-N 2 2 305.422 1.780 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001368104837 898707782 /nfs/dbraw/zinc/70/77/82/898707782.db2.gz XMMHDCUODFMJQK-KGLIPLIRSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001262041402 899911294 /nfs/dbraw/zinc/91/12/94/899911294.db2.gz XUWXLIFLXYFXPM-OAHLLOKOSA-N 2 2 311.389 1.231 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001262041402 899911304 /nfs/dbraw/zinc/91/13/04/899911304.db2.gz XUWXLIFLXYFXPM-OAHLLOKOSA-N 2 2 311.389 1.231 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001390819313 900272818 /nfs/dbraw/zinc/27/28/18/900272818.db2.gz POEVQJILZMVHRL-OAHLLOKOSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001390819313 900272830 /nfs/dbraw/zinc/27/28/30/900272830.db2.gz POEVQJILZMVHRL-OAHLLOKOSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001390819313 900272839 /nfs/dbraw/zinc/27/28/39/900272839.db2.gz POEVQJILZMVHRL-OAHLLOKOSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001390819313 900272849 /nfs/dbraw/zinc/27/28/49/900272849.db2.gz POEVQJILZMVHRL-OAHLLOKOSA-N 2 2 319.852 1.999 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001263102194 900499439 /nfs/dbraw/zinc/49/94/39/900499439.db2.gz NQNWQRPAWYCJOK-CYBMUJFWSA-N 2 2 303.397 1.858 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001263102194 900499444 /nfs/dbraw/zinc/49/94/44/900499444.db2.gz NQNWQRPAWYCJOK-CYBMUJFWSA-N 2 2 303.397 1.858 20 30 DDEDLP C#CC[NH+]1CCC(OC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001263621096 900651222 /nfs/dbraw/zinc/65/12/22/900651222.db2.gz PGMYFWYGYQCWGH-UHFFFAOYSA-N 2 2 301.390 1.403 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC(C)C)[C@@H]1C ZINC001264145540 900978197 /nfs/dbraw/zinc/97/81/97/900978197.db2.gz GGANJNYWMSCWRC-IKGGRYGDSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC(C)C)[C@@H]1C ZINC001264145540 900978214 /nfs/dbraw/zinc/97/82/14/900978214.db2.gz GGANJNYWMSCWRC-IKGGRYGDSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC(C)C)[C@@H]1C ZINC001264145540 900978221 /nfs/dbraw/zinc/97/82/21/900978221.db2.gz GGANJNYWMSCWRC-IKGGRYGDSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC(C)C)[C@@H]1C ZINC001264145540 900978230 /nfs/dbraw/zinc/97/82/30/900978230.db2.gz GGANJNYWMSCWRC-IKGGRYGDSA-N 2 2 321.465 1.088 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001369555060 901525219 /nfs/dbraw/zinc/52/52/19/901525219.db2.gz ZOQJRCHHPQNJLS-STQMWFEESA-N 2 2 317.861 1.190 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001369555060 901525226 /nfs/dbraw/zinc/52/52/26/901525226.db2.gz ZOQJRCHHPQNJLS-STQMWFEESA-N 2 2 317.861 1.190 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390852 901960348 /nfs/dbraw/zinc/96/03/48/901960348.db2.gz OVAUWVCJAWJIQH-AWEZNQCLSA-N 2 2 310.401 1.980 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265390852 901960362 /nfs/dbraw/zinc/96/03/62/901960362.db2.gz OVAUWVCJAWJIQH-AWEZNQCLSA-N 2 2 310.401 1.980 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001265594568 902174872 /nfs/dbraw/zinc/17/48/72/902174872.db2.gz FJRADIQUUOSCRY-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001265594568 902174874 /nfs/dbraw/zinc/17/48/74/902174874.db2.gz FJRADIQUUOSCRY-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266057213 902856207 /nfs/dbraw/zinc/85/62/07/902856207.db2.gz AISDUZMKGWKJAS-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266057213 902856218 /nfs/dbraw/zinc/85/62/18/902856218.db2.gz AISDUZMKGWKJAS-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP C=CCC[NH2+]CCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001279746558 903404527 /nfs/dbraw/zinc/40/45/27/903404527.db2.gz MPCBRGSGUZSGHM-UHFFFAOYSA-N 2 2 302.378 1.163 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001394454276 909664504 /nfs/dbraw/zinc/66/45/04/909664504.db2.gz WVKIEDDPVZXKQV-AWEZNQCLSA-N 2 2 310.829 1.542 20 30 DDEDLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305760251 231043325 /nfs/dbraw/zinc/04/33/25/231043325.db2.gz CANLKYCNNMMFAD-SFHVURJKSA-N 3 2 316.449 1.035 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccnc2)C(C)C)CC1 ZINC000093223661 353890035 /nfs/dbraw/zinc/89/00/35/353890035.db2.gz WVMHFHMQYIZGPK-UHFFFAOYSA-N 2 2 314.433 1.069 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccnc2)C(C)C)CC1 ZINC000093223661 353890038 /nfs/dbraw/zinc/89/00/38/353890038.db2.gz WVMHFHMQYIZGPK-UHFFFAOYSA-N 2 2 314.433 1.069 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000328808622 222899091 /nfs/dbraw/zinc/89/90/91/222899091.db2.gz IOMKCJYAGXTULG-CQSZACIVSA-N 2 2 319.453 1.998 20 30 DDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907474 359286930 /nfs/dbraw/zinc/28/69/30/359286930.db2.gz MINAABHIQSLJGZ-KRWDZBQOSA-N 2 2 316.449 1.834 20 30 DDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907474 359286932 /nfs/dbraw/zinc/28/69/32/359286932.db2.gz MINAABHIQSLJGZ-KRWDZBQOSA-N 2 2 316.449 1.834 20 30 DDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910675 359701703 /nfs/dbraw/zinc/70/17/03/359701703.db2.gz XERXGFFOPYGKRW-XJADACSNSA-N 2 2 318.465 1.457 20 30 DDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910675 359701704 /nfs/dbraw/zinc/70/17/04/359701704.db2.gz XERXGFFOPYGKRW-XJADACSNSA-N 2 2 318.465 1.457 20 30 DDEDLP C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)C1CC[NH+](C)CC1 ZINC000609626241 360338182 /nfs/dbraw/zinc/33/81/82/360338182.db2.gz HUASXLDVMHDRGV-LBPRGKRZSA-N 2 2 313.409 1.882 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330180434 223083159 /nfs/dbraw/zinc/08/31/59/223083159.db2.gz FZIGKVIHJIVAPK-RHSMWYFYSA-N 2 2 319.453 1.769 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330180434 223083161 /nfs/dbraw/zinc/08/31/61/223083161.db2.gz FZIGKVIHJIVAPK-RHSMWYFYSA-N 2 2 319.453 1.769 20 30 DDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000330712873 223139633 /nfs/dbraw/zinc/13/96/33/223139633.db2.gz WLYOWNHLLJUVKA-UHFFFAOYSA-N 2 2 307.442 1.886 20 30 DDEDLP CN(C(=O)NCCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862493 361608752 /nfs/dbraw/zinc/60/87/52/361608752.db2.gz ADRLTNDENOYYBO-HNNXBMFYSA-N 2 2 307.442 1.100 20 30 DDEDLP CN(C(=O)NCCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862493 361608758 /nfs/dbraw/zinc/60/87/58/361608758.db2.gz ADRLTNDENOYYBO-HNNXBMFYSA-N 2 2 307.442 1.100 20 30 DDEDLP C=CC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000275251883 212224886 /nfs/dbraw/zinc/22/48/86/212224886.db2.gz PFVVXAVSUVVEST-MRXNPFEDSA-N 2 2 308.447 1.998 20 30 DDEDLP C=CC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000275251883 212224888 /nfs/dbraw/zinc/22/48/88/212224888.db2.gz PFVVXAVSUVVEST-MRXNPFEDSA-N 2 2 308.447 1.998 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@](C)(C#N)CC)CC2)CC1 ZINC000331502971 285187524 /nfs/dbraw/zinc/18/75/24/285187524.db2.gz KBJNPKSTJJQDEA-SFHVURJKSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@](C)(C#N)CC)CC2)CC1 ZINC000331502971 285187525 /nfs/dbraw/zinc/18/75/25/285187525.db2.gz KBJNPKSTJJQDEA-SFHVURJKSA-N 2 2 320.481 1.945 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000103191930 407333966 /nfs/dbraw/zinc/33/39/66/407333966.db2.gz QOCRQVFVVNICAP-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000103191930 407333967 /nfs/dbraw/zinc/33/39/67/407333967.db2.gz QOCRQVFVVNICAP-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP CC#CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946433 407548641 /nfs/dbraw/zinc/54/86/41/407548641.db2.gz MEJHTAPOTWXABM-JWTNVVGKSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185946433 407548648 /nfs/dbraw/zinc/54/86/48/407548648.db2.gz MEJHTAPOTWXABM-JWTNVVGKSA-N 2 2 317.477 1.949 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000171735552 407753338 /nfs/dbraw/zinc/75/33/38/407753338.db2.gz RRKSVHUTVWNSQS-CABCVRRESA-N 2 2 324.469 1.045 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000175068175 408043794 /nfs/dbraw/zinc/04/37/94/408043794.db2.gz YWQVOCLENQKFFT-UHFFFAOYSA-N 2 2 315.421 1.706 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850951 408212502 /nfs/dbraw/zinc/21/25/02/408212502.db2.gz HPOARNRDHJEHEH-DLBZAZTESA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850951 408212506 /nfs/dbraw/zinc/21/25/06/408212506.db2.gz HPOARNRDHJEHEH-DLBZAZTESA-N 2 2 305.466 1.993 20 30 DDEDLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1C#N ZINC000269340407 408272884 /nfs/dbraw/zinc/27/28/84/408272884.db2.gz GBLGOKFOKXHHGJ-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1C#N ZINC000269340407 408272889 /nfs/dbraw/zinc/27/28/89/408272889.db2.gz GBLGOKFOKXHHGJ-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190628984 408293916 /nfs/dbraw/zinc/29/39/16/408293916.db2.gz BYVSBAHVCYWRPJ-KRWDZBQOSA-N 2 2 312.417 1.343 20 30 DDEDLP COCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000183253905 408365887 /nfs/dbraw/zinc/36/58/87/408365887.db2.gz FXKKMDFSOXIQSL-UHFFFAOYSA-N 2 2 321.421 1.317 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285698946 408845976 /nfs/dbraw/zinc/84/59/76/408845976.db2.gz OYDOXBZOIZOSKB-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285698946 408845978 /nfs/dbraw/zinc/84/59/78/408845978.db2.gz OYDOXBZOIZOSKB-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285698946 408845980 /nfs/dbraw/zinc/84/59/80/408845980.db2.gz OYDOXBZOIZOSKB-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285698946 408845983 /nfs/dbraw/zinc/84/59/83/408845983.db2.gz OYDOXBZOIZOSKB-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598337 163259305 /nfs/dbraw/zinc/25/93/05/163259305.db2.gz BSANUJXXZJPEIW-GASCZTMLSA-N 2 2 301.390 1.439 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598337 163259308 /nfs/dbraw/zinc/25/93/08/163259308.db2.gz BSANUJXXZJPEIW-GASCZTMLSA-N 2 2 301.390 1.439 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193598337 163259311 /nfs/dbraw/zinc/25/93/11/163259311.db2.gz BSANUJXXZJPEIW-GASCZTMLSA-N 2 2 301.390 1.439 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193598337 163259314 /nfs/dbraw/zinc/25/93/14/163259314.db2.gz BSANUJXXZJPEIW-GASCZTMLSA-N 2 2 301.390 1.439 20 30 DDEDLP C[C@H]1COC(C)(C)C[NH+]1CC#CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000342132137 409566265 /nfs/dbraw/zinc/56/62/65/409566265.db2.gz QCIADWJWRVQYKH-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1COC(C)(C)C[NH+]1CC#CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000342132137 409566271 /nfs/dbraw/zinc/56/62/71/409566271.db2.gz QCIADWJWRVQYKH-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP CC(C)(CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000328769371 409973416 /nfs/dbraw/zinc/97/34/16/409973416.db2.gz IJWHICFIVHZRSY-UHFFFAOYSA-N 2 2 312.458 1.087 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438264 410187664 /nfs/dbraw/zinc/18/76/64/410187664.db2.gz JYLMMHYLOVGWDR-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438264 410187667 /nfs/dbraw/zinc/18/76/67/410187667.db2.gz JYLMMHYLOVGWDR-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438264 410187670 /nfs/dbraw/zinc/18/76/70/410187670.db2.gz JYLMMHYLOVGWDR-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438264 410187671 /nfs/dbraw/zinc/18/76/71/410187671.db2.gz JYLMMHYLOVGWDR-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008101 222233200 /nfs/dbraw/zinc/23/32/00/222233200.db2.gz KZZMVZVQSMJIGA-UKPHBRMFSA-N 2 2 304.438 1.211 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008101 222233203 /nfs/dbraw/zinc/23/32/03/222233203.db2.gz KZZMVZVQSMJIGA-UKPHBRMFSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008101 222233205 /nfs/dbraw/zinc/23/32/05/222233205.db2.gz KZZMVZVQSMJIGA-UKPHBRMFSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008101 222233208 /nfs/dbraw/zinc/23/32/08/222233208.db2.gz KZZMVZVQSMJIGA-UKPHBRMFSA-N 2 2 304.438 1.211 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@@H](C(C)C)C1 ZINC000261767230 222256579 /nfs/dbraw/zinc/25/65/79/222256579.db2.gz NOWDIRHOYXEDBQ-CQSZACIVSA-N 2 2 309.483 1.922 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccc[nH]1 ZINC000262749478 222291284 /nfs/dbraw/zinc/29/12/84/222291284.db2.gz BFXOZTNSBQUCOR-UHFFFAOYSA-N 2 2 303.414 1.022 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264068754 222312915 /nfs/dbraw/zinc/31/29/15/222312915.db2.gz CLZUAWMCAQIINO-LSDHHAIUSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264068754 222312918 /nfs/dbraw/zinc/31/29/18/222312918.db2.gz CLZUAWMCAQIINO-LSDHHAIUSA-N 3 2 323.510 1.739 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264090106 222315422 /nfs/dbraw/zinc/31/54/22/222315422.db2.gz KUCAEEGKJMTBFF-NSHDSACASA-N 2 2 305.357 1.451 20 30 DDEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000377620537 418711267 /nfs/dbraw/zinc/71/12/67/418711267.db2.gz DZHFHDXGUDOHJF-OAHLLOKOSA-N 2 2 302.422 1.753 20 30 DDEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000377620537 418711270 /nfs/dbraw/zinc/71/12/70/418711270.db2.gz DZHFHDXGUDOHJF-OAHLLOKOSA-N 2 2 302.422 1.753 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000362719522 418759132 /nfs/dbraw/zinc/75/91/32/418759132.db2.gz LFVZKSJICAVWAT-WMZOPIPTSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000362719522 418759133 /nfs/dbraw/zinc/75/91/33/418759133.db2.gz LFVZKSJICAVWAT-WMZOPIPTSA-N 2 2 300.402 1.651 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000424145946 228236211 /nfs/dbraw/zinc/23/62/11/228236211.db2.gz ZXOLTCILWAFMAI-INIZCTEOSA-N 2 2 311.389 1.569 20 30 DDEDLP Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425202001 228389460 /nfs/dbraw/zinc/38/94/60/228389460.db2.gz BZJRQDYAJCQPKU-OKILXGFUSA-N 2 2 302.422 1.983 20 30 DDEDLP Cc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425202001 228389461 /nfs/dbraw/zinc/38/94/61/228389461.db2.gz BZJRQDYAJCQPKU-OKILXGFUSA-N 2 2 302.422 1.983 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000524638718 421263767 /nfs/dbraw/zinc/26/37/67/421263767.db2.gz YQIAADMWTCYFFB-UHFFFAOYSA-N 2 2 323.400 1.649 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cn1 ZINC000584060822 422251703 /nfs/dbraw/zinc/25/17/03/422251703.db2.gz FAIKZCUBAUMJKU-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC000584060822 422251709 /nfs/dbraw/zinc/25/17/09/422251709.db2.gz FAIKZCUBAUMJKU-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC000584060822 422251714 /nfs/dbraw/zinc/25/17/14/422251714.db2.gz FAIKZCUBAUMJKU-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000344252088 268072747 /nfs/dbraw/zinc/07/27/47/268072747.db2.gz AJUGTVFEIFTXAZ-HNNXBMFYSA-N 2 2 318.396 1.374 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000344252088 268072748 /nfs/dbraw/zinc/07/27/48/268072748.db2.gz AJUGTVFEIFTXAZ-HNNXBMFYSA-N 2 2 318.396 1.374 20 30 DDEDLP CC(C)(C#N)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159368554 278256923 /nfs/dbraw/zinc/25/69/23/278256923.db2.gz GPKBHACFIDNQPA-HNNXBMFYSA-N 2 2 306.454 1.730 20 30 DDEDLP CC(C)(C#N)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159368554 278256924 /nfs/dbraw/zinc/25/69/24/278256924.db2.gz GPKBHACFIDNQPA-HNNXBMFYSA-N 2 2 306.454 1.730 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516396498 338011769 /nfs/dbraw/zinc/01/17/69/338011769.db2.gz QXUCRLGLDAAHQS-RKVPGOIHSA-N 2 2 315.417 1.947 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566123378 341548417 /nfs/dbraw/zinc/54/84/17/341548417.db2.gz IRNNWGXSCVGPKR-KSWRQPAISA-N 2 2 312.454 1.027 20 30 DDEDLP C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491546720 527312440 /nfs/dbraw/zinc/31/24/40/527312440.db2.gz WZDSUSKFCSTEDN-GOSISDBHSA-N 2 2 300.402 1.353 20 30 DDEDLP C#C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491546720 527312442 /nfs/dbraw/zinc/31/24/42/527312442.db2.gz WZDSUSKFCSTEDN-GOSISDBHSA-N 2 2 300.402 1.353 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000972616012 695299599 /nfs/dbraw/zinc/29/95/99/695299599.db2.gz WJNOOQPOKAELNM-KRWDZBQOSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000972616012 695299601 /nfs/dbraw/zinc/29/96/01/695299601.db2.gz WJNOOQPOKAELNM-KRWDZBQOSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604716 695694506 /nfs/dbraw/zinc/69/45/06/695694506.db2.gz JVHLTWIKSGLNTI-MGPQQGTHSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604716 695694509 /nfs/dbraw/zinc/69/45/09/695694509.db2.gz JVHLTWIKSGLNTI-MGPQQGTHSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604716 695694512 /nfs/dbraw/zinc/69/45/12/695694512.db2.gz JVHLTWIKSGLNTI-MGPQQGTHSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974604716 695694514 /nfs/dbraw/zinc/69/45/14/695694514.db2.gz JVHLTWIKSGLNTI-MGPQQGTHSA-N 2 2 313.873 1.906 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974685036 695711137 /nfs/dbraw/zinc/71/11/37/695711137.db2.gz JHZDAHSWEBPUFE-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974685036 695711138 /nfs/dbraw/zinc/71/11/38/695711138.db2.gz JHZDAHSWEBPUFE-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C ZINC000974685036 695711139 /nfs/dbraw/zinc/71/11/39/695711139.db2.gz JHZDAHSWEBPUFE-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C ZINC000974685036 695711141 /nfs/dbraw/zinc/71/11/41/695711141.db2.gz JHZDAHSWEBPUFE-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)CC1(C)C ZINC000974688259 695712284 /nfs/dbraw/zinc/71/22/84/695712284.db2.gz XOASXSKIZPDYID-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)CC1(C)C ZINC000974688259 695712287 /nfs/dbraw/zinc/71/22/87/695712287.db2.gz XOASXSKIZPDYID-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)CC1(C)C ZINC000974688259 695712289 /nfs/dbraw/zinc/71/22/89/695712289.db2.gz XOASXSKIZPDYID-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)CC1(C)C ZINC000974688259 695712290 /nfs/dbraw/zinc/71/22/90/695712290.db2.gz XOASXSKIZPDYID-JKSUJKDBSA-N 2 2 303.450 1.487 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737850 695722103 /nfs/dbraw/zinc/72/21/03/695722103.db2.gz ZECCDKFHQBSZEO-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737850 695722104 /nfs/dbraw/zinc/72/21/04/695722104.db2.gz ZECCDKFHQBSZEO-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744872 695724653 /nfs/dbraw/zinc/72/46/53/695724653.db2.gz WLVHPZKKJASBNA-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974744872 695724656 /nfs/dbraw/zinc/72/46/56/695724656.db2.gz WLVHPZKKJASBNA-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167871 696618853 /nfs/dbraw/zinc/61/88/53/696618853.db2.gz FIJHIQSOWLGDQM-HNNXBMFYSA-N 2 2 310.417 1.759 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981090569 697002151 /nfs/dbraw/zinc/00/21/51/697002151.db2.gz DKDQPXHVDGQBHZ-JKSUJKDBSA-N 2 2 310.401 1.907 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982117940 697034473 /nfs/dbraw/zinc/03/44/73/697034473.db2.gz FJEHKQAWOYRNDZ-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982117940 697034476 /nfs/dbraw/zinc/03/44/76/697034476.db2.gz FJEHKQAWOYRNDZ-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500961 697520609 /nfs/dbraw/zinc/52/06/09/697520609.db2.gz QIBUKMUKVCFDAU-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500961 697520611 /nfs/dbraw/zinc/52/06/11/697520611.db2.gz QIBUKMUKVCFDAU-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985510983 697522528 /nfs/dbraw/zinc/52/25/28/697522528.db2.gz ADWMCCOFEAAPCZ-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985510983 697522530 /nfs/dbraw/zinc/52/25/30/697522530.db2.gz ADWMCCOFEAAPCZ-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987312956 698080223 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C[C@@H](C#N)OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000801926949 700355819 /nfs/dbraw/zinc/35/58/19/700355819.db2.gz ZRTYACWXCQDBDQ-INIZCTEOSA-N 2 2 316.449 1.949 20 30 DDEDLP C[C@@H](C#N)OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000801926949 700355823 /nfs/dbraw/zinc/35/58/23/700355823.db2.gz ZRTYACWXCQDBDQ-INIZCTEOSA-N 2 2 316.449 1.949 20 30 DDEDLP C=C(C)CONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845605980 703181341 /nfs/dbraw/zinc/18/13/41/703181341.db2.gz RVSBAUXBDDZYQA-HNNXBMFYSA-N 2 2 310.442 1.304 20 30 DDEDLP C=C(C)CONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845605980 703181343 /nfs/dbraw/zinc/18/13/43/703181343.db2.gz RVSBAUXBDDZYQA-HNNXBMFYSA-N 2 2 310.442 1.304 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845620497 703183366 /nfs/dbraw/zinc/18/33/66/703183366.db2.gz SVVGMFWPKHNRIV-OAHLLOKOSA-N 2 2 324.469 1.694 20 30 DDEDLP C=C[C@@H](C)ONC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845620497 703183367 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REMDOCPXRGOMFV-UMVBOHGHSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343336 761958423 /nfs/dbraw/zinc/95/84/23/761958423.db2.gz OWEJVQQVBMPQPU-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343336 761958427 /nfs/dbraw/zinc/95/84/27/761958427.db2.gz OWEJVQQVBMPQPU-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095644634 750106990 /nfs/dbraw/zinc/10/69/90/750106990.db2.gz DNKAVQJGNQWACA-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095644634 750106996 /nfs/dbraw/zinc/10/69/96/750106996.db2.gz DNKAVQJGNQWACA-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561249 750139509 /nfs/dbraw/zinc/13/95/09/750139509.db2.gz GQCRYNFZQSUITF-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561249 750139512 /nfs/dbraw/zinc/13/95/12/750139512.db2.gz GQCRYNFZQSUITF-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950824 750172879 /nfs/dbraw/zinc/17/28/79/750172879.db2.gz YJAUUBPDKKZHAE-HUUCEWRRSA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950824 750172882 /nfs/dbraw/zinc/17/28/82/750172882.db2.gz YJAUUBPDKKZHAE-HUUCEWRRSA-N 2 2 314.433 1.776 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999004688 752445116 /nfs/dbraw/zinc/44/51/16/752445116.db2.gz JQIDARVQEKKNFR-WLYUNCDWSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537695 752981301 /nfs/dbraw/zinc/98/13/01/752981301.db2.gz UBZUGCSNWWKPBE-KBPBESRZSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993537 753356762 /nfs/dbraw/zinc/35/67/62/753356762.db2.gz SFYRFWRGEBOVIZ-WMZOPIPTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993537 753356766 /nfs/dbraw/zinc/35/67/66/753356766.db2.gz SFYRFWRGEBOVIZ-WMZOPIPTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993537 753356771 /nfs/dbraw/zinc/35/67/71/753356771.db2.gz SFYRFWRGEBOVIZ-WMZOPIPTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107993537 753356774 /nfs/dbraw/zinc/35/67/74/753356774.db2.gz SFYRFWRGEBOVIZ-WMZOPIPTSA-N 2 2 323.481 1.642 20 30 DDEDLP C[Si](C)(C)C#Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169073144 762220153 /nfs/dbraw/zinc/22/01/53/762220153.db2.gz ABTXMANCOVYJDZ-OAHLLOKOSA-N 2 2 313.477 1.963 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001000943592 762391588 /nfs/dbraw/zinc/39/15/88/762391588.db2.gz AJOPNADUNYAWGJ-UHFFFAOYSA-N 2 2 308.385 1.720 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001000943592 762391596 /nfs/dbraw/zinc/39/15/96/762391596.db2.gz AJOPNADUNYAWGJ-UHFFFAOYSA-N 2 2 308.385 1.720 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001079879549 755618400 /nfs/dbraw/zinc/61/84/00/755618400.db2.gz YANJOWRSLCJLGH-OQDJSUHQSA-N 2 2 309.841 1.273 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001079879549 755618403 /nfs/dbraw/zinc/61/84/03/755618403.db2.gz YANJOWRSLCJLGH-OQDJSUHQSA-N 2 2 309.841 1.273 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1C ZINC001079879549 755618406 /nfs/dbraw/zinc/61/84/06/755618406.db2.gz YANJOWRSLCJLGH-OQDJSUHQSA-N 2 2 309.841 1.273 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1C ZINC001079879549 755618410 /nfs/dbraw/zinc/61/84/10/755618410.db2.gz YANJOWRSLCJLGH-OQDJSUHQSA-N 2 2 309.841 1.273 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014997516 756062098 /nfs/dbraw/zinc/06/20/98/756062098.db2.gz UDBWFKXOHIZQDC-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014997516 756062104 /nfs/dbraw/zinc/06/21/04/756062104.db2.gz UDBWFKXOHIZQDC-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016258906 756880813 /nfs/dbraw/zinc/88/08/13/756880813.db2.gz AFGSMWZDDJPHPM-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016258906 756880815 /nfs/dbraw/zinc/88/08/15/756880815.db2.gz AFGSMWZDDJPHPM-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)CC1 ZINC001052987424 758050562 /nfs/dbraw/zinc/05/05/62/758050562.db2.gz LFXHGUGURLNZNM-OIISXLGYSA-N 2 2 318.465 1.694 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)CC1 ZINC001052987424 758050571 /nfs/dbraw/zinc/05/05/71/758050571.db2.gz LFXHGUGURLNZNM-OIISXLGYSA-N 2 2 318.465 1.694 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001161517 762606352 /nfs/dbraw/zinc/60/63/52/762606352.db2.gz WFTYEBVROOAKNL-HZPDHXFCSA-N 2 2 314.433 1.848 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001161517 762606354 /nfs/dbraw/zinc/60/63/54/762606354.db2.gz WFTYEBVROOAKNL-HZPDHXFCSA-N 2 2 314.433 1.848 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053293093 758348542 /nfs/dbraw/zinc/34/85/42/758348542.db2.gz FRDDMCXVYWWJCI-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053293093 758348554 /nfs/dbraw/zinc/34/85/54/758348554.db2.gz FRDDMCXVYWWJCI-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053799468 758826655 /nfs/dbraw/zinc/82/66/55/758826655.db2.gz VWWVPVFCJRXXNH-JKSUJKDBSA-N 2 2 321.465 1.395 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053799468 758826662 /nfs/dbraw/zinc/82/66/62/758826662.db2.gz VWWVPVFCJRXXNH-JKSUJKDBSA-N 2 2 321.465 1.395 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680196 759993834 /nfs/dbraw/zinc/99/38/34/759993834.db2.gz ASLGFSFJFIJLHP-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680196 759993840 /nfs/dbraw/zinc/99/38/40/759993840.db2.gz ASLGFSFJFIJLHP-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085923082 760546478 /nfs/dbraw/zinc/54/64/78/760546478.db2.gz QTOAHVICRCECBE-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085923082 760546482 /nfs/dbraw/zinc/54/64/82/760546482.db2.gz QTOAHVICRCECBE-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001131270669 767969864 /nfs/dbraw/zinc/96/98/64/767969864.db2.gz OYBJBENKTICXGL-UHFFFAOYSA-N 2 2 318.380 1.705 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086124929 761019308 /nfs/dbraw/zinc/01/93/08/761019308.db2.gz JCDHIMCYWUYPNP-KFWWJZLASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735713 762894315 /nfs/dbraw/zinc/89/43/15/762894315.db2.gz HUOVYTNMYIUTEI-XHSDSOJGSA-N 2 2 300.406 1.266 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001001561603 762962649 /nfs/dbraw/zinc/96/26/49/762962649.db2.gz JMMGHHIUGVXSNW-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041419625 763016885 /nfs/dbraw/zinc/01/68/85/763016885.db2.gz WEDCCGSWZSCKMB-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041419625 763016891 /nfs/dbraw/zinc/01/68/91/763016891.db2.gz WEDCCGSWZSCKMB-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429934 763026099 /nfs/dbraw/zinc/02/60/99/763026099.db2.gz YNFDTRDFAAROMV-KRWDZBQOSA-N 2 2 318.421 1.460 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429934 763026103 /nfs/dbraw/zinc/02/61/03/763026103.db2.gz YNFDTRDFAAROMV-KRWDZBQOSA-N 2 2 318.421 1.460 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001050081495 763106788 /nfs/dbraw/zinc/10/67/88/763106788.db2.gz FEYVMFLUMHGBCH-ARFHVFGLSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001050081495 763106796 /nfs/dbraw/zinc/10/67/96/763106796.db2.gz FEYVMFLUMHGBCH-ARFHVFGLSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001050612515 763823231 /nfs/dbraw/zinc/82/32/31/763823231.db2.gz UWMKVZWSQWQMPA-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313890 763902811 /nfs/dbraw/zinc/90/28/11/763902811.db2.gz KSTVRIWKXYJTAB-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313890 763902818 /nfs/dbraw/zinc/90/28/18/763902818.db2.gz KSTVRIWKXYJTAB-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042335726 763933851 /nfs/dbraw/zinc/93/38/51/763933851.db2.gz NEEZXTAIQLBQBK-ZBFHGGJFSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042335726 763933858 /nfs/dbraw/zinc/93/38/58/763933858.db2.gz NEEZXTAIQLBQBK-ZBFHGGJFSA-N 2 2 300.406 1.207 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001050975138 764371899 /nfs/dbraw/zinc/37/18/99/764371899.db2.gz HKEHRADOMSFLGV-INIZCTEOSA-N 2 2 321.465 1.256 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001050975138 764371904 /nfs/dbraw/zinc/37/19/04/764371904.db2.gz HKEHRADOMSFLGV-INIZCTEOSA-N 2 2 321.465 1.256 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112572078 764415404 /nfs/dbraw/zinc/41/54/04/764415404.db2.gz CUDWZZZABIWKMI-YJBOKZPZSA-N 2 2 314.433 1.204 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001051149904 764556299 /nfs/dbraw/zinc/55/62/99/764556299.db2.gz JSUMRDAQIAUDMC-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001051149904 764556302 /nfs/dbraw/zinc/55/63/02/764556302.db2.gz JSUMRDAQIAUDMC-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001051149904 764556307 /nfs/dbraw/zinc/55/63/07/764556307.db2.gz JSUMRDAQIAUDMC-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001051149904 764556309 /nfs/dbraw/zinc/55/63/09/764556309.db2.gz JSUMRDAQIAUDMC-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001051256017 764679304 /nfs/dbraw/zinc/67/93/04/764679304.db2.gz SWWVQDJJTODSIY-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001051256017 764679309 /nfs/dbraw/zinc/67/93/09/764679309.db2.gz SWWVQDJJTODSIY-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001051256017 764679311 /nfs/dbraw/zinc/67/93/11/764679311.db2.gz SWWVQDJJTODSIY-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001051256017 764679316 /nfs/dbraw/zinc/67/93/16/764679316.db2.gz SWWVQDJJTODSIY-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052407013 765797595 /nfs/dbraw/zinc/79/75/95/765797595.db2.gz SFPJEBJZODRVHI-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052407013 765797598 /nfs/dbraw/zinc/79/75/98/765797598.db2.gz SFPJEBJZODRVHI-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505213 765896053 /nfs/dbraw/zinc/89/60/53/765896053.db2.gz KGLJRYYEMQJQOT-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505213 765896056 /nfs/dbraw/zinc/89/60/56/765896056.db2.gz KGLJRYYEMQJQOT-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506978 765898888 /nfs/dbraw/zinc/89/88/88/765898888.db2.gz PEKCAXQMCNFCBH-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506978 765898894 /nfs/dbraw/zinc/89/88/94/765898894.db2.gz PEKCAXQMCNFCBH-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045484379 766341765 /nfs/dbraw/zinc/34/17/65/766341765.db2.gz ZJKHCRHZHSYQJF-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045485539 766342801 /nfs/dbraw/zinc/34/28/01/766342801.db2.gz FJWLQWNEBNSNPA-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975576 766755223 /nfs/dbraw/zinc/75/52/23/766755223.db2.gz CNKXUHHKSHYTGF-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975576 766755224 /nfs/dbraw/zinc/75/52/24/766755224.db2.gz CNKXUHHKSHYTGF-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(Br)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266448 767403841 /nfs/dbraw/zinc/40/38/41/767403841.db2.gz XNJBNJKLHVYYRL-UHFFFAOYSA-N 2 2 323.194 1.791 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323569 767422882 /nfs/dbraw/zinc/42/28/82/767422882.db2.gz OSAWULQRBVJWDF-GOEBONIOSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323569 767422887 /nfs/dbraw/zinc/42/28/87/767422887.db2.gz OSAWULQRBVJWDF-GOEBONIOSA-N 2 2 311.857 1.661 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046378788 767489281 /nfs/dbraw/zinc/48/92/81/767489281.db2.gz YORKEEOUZAQUMA-WMLDXEAASA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046378788 767489284 /nfs/dbraw/zinc/48/92/84/767489284.db2.gz YORKEEOUZAQUMA-WMLDXEAASA-N 2 2 300.406 1.364 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612730 767738190 /nfs/dbraw/zinc/73/81/90/767738190.db2.gz UJCDYDPCRLQWGH-CXAGYDPISA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612730 767738195 /nfs/dbraw/zinc/73/81/95/767738195.db2.gz UJCDYDPCRLQWGH-CXAGYDPISA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132365066 768778688 /nfs/dbraw/zinc/77/86/88/768778688.db2.gz HGQMHXQSDBKHLF-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132365066 768778692 /nfs/dbraw/zinc/77/86/92/768778692.db2.gz HGQMHXQSDBKHLF-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001071095792 768943993 /nfs/dbraw/zinc/94/39/93/768943993.db2.gz PDVFXSCIOOETAZ-PBHICJAKSA-N 2 2 318.421 1.124 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195115 769120768 /nfs/dbraw/zinc/12/07/68/769120768.db2.gz SCSIBIXEJWVRBQ-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195115 769120773 /nfs/dbraw/zinc/12/07/73/769120773.db2.gz SCSIBIXEJWVRBQ-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071222804 769161434 /nfs/dbraw/zinc/16/14/34/769161434.db2.gz HDUMHDHCFPDTEU-WMLDXEAASA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071222804 769161435 /nfs/dbraw/zinc/16/14/35/769161435.db2.gz HDUMHDHCFPDTEU-WMLDXEAASA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248203 769190497 /nfs/dbraw/zinc/19/04/97/769190497.db2.gz GQOGBKJWMMCWHA-WBVHZDCISA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248203 769190501 /nfs/dbraw/zinc/19/05/01/769190501.db2.gz GQOGBKJWMMCWHA-WBVHZDCISA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350178 769337204 /nfs/dbraw/zinc/33/72/04/769337204.db2.gz XXIYUBPHESTNPK-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350178 769337215 /nfs/dbraw/zinc/33/72/15/769337215.db2.gz XXIYUBPHESTNPK-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132996520 769404105 /nfs/dbraw/zinc/40/41/05/769404105.db2.gz BVDAFPGBVIPPIK-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135755 769521934 /nfs/dbraw/zinc/52/19/34/769521934.db2.gz WNIDEOAHLQCNOE-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527819 769567878 /nfs/dbraw/zinc/56/78/78/769567878.db2.gz JPPFCXUQADHXFF-CABCVRRESA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527819 769567885 /nfs/dbraw/zinc/56/78/85/769567885.db2.gz JPPFCXUQADHXFF-CABCVRRESA-N 2 2 316.449 1.917 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071690071 769883263 /nfs/dbraw/zinc/88/32/63/769883263.db2.gz UVFMNRKRTJVSMD-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071690071 769883278 /nfs/dbraw/zinc/88/32/78/769883278.db2.gz UVFMNRKRTJVSMD-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071987113 770390330 /nfs/dbraw/zinc/39/03/30/770390330.db2.gz AYJSAGGBJBGJGY-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071987113 770390341 /nfs/dbraw/zinc/39/03/41/770390341.db2.gz AYJSAGGBJBGJGY-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049514073 770956381 /nfs/dbraw/zinc/95/63/81/770956381.db2.gz ZWPSBNZDRVBHEA-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049514073 770956388 /nfs/dbraw/zinc/95/63/88/770956388.db2.gz ZWPSBNZDRVBHEA-JKSUJKDBSA-N 2 2 300.406 1.431 20 30 DDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589156 771602944 /nfs/dbraw/zinc/60/29/44/771602944.db2.gz KFVCBZQXYRPENK-HZPDHXFCSA-N 2 2 323.481 1.690 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840452 771746784 /nfs/dbraw/zinc/74/67/84/771746784.db2.gz JAYPRUGNFQVNSI-CABCVRRESA-N 2 2 310.401 1.992 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001091240166 772635382 /nfs/dbraw/zinc/63/53/82/772635382.db2.gz VOPIGNYDXIAPLB-NEXFUWMNSA-N 2 2 302.422 1.584 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073765304 773390795 /nfs/dbraw/zinc/39/07/95/773390795.db2.gz PXVRTICZUZJZFX-UONOGXRCSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073765304 773390804 /nfs/dbraw/zinc/39/08/04/773390804.db2.gz PXVRTICZUZJZFX-UONOGXRCSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092739732 774242454 /nfs/dbraw/zinc/24/24/54/774242454.db2.gz CBFVHVHHMQMKDM-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092739732 774242456 /nfs/dbraw/zinc/24/24/56/774242456.db2.gz CBFVHVHHMQMKDM-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001093574987 774849221 /nfs/dbraw/zinc/84/92/21/774849221.db2.gz KNEKFKBHONCDGO-OAHLLOKOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001093574987 774849229 /nfs/dbraw/zinc/84/92/29/774849229.db2.gz KNEKFKBHONCDGO-OAHLLOKOSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036906856 776089735 /nfs/dbraw/zinc/08/97/35/776089735.db2.gz LGFPYYMDGYXVRD-KGLIPLIRSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036906856 776089742 /nfs/dbraw/zinc/08/97/42/776089742.db2.gz LGFPYYMDGYXVRD-KGLIPLIRSA-N 2 2 308.813 1.558 20 30 DDEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428034 776140543 /nfs/dbraw/zinc/14/05/43/776140543.db2.gz UUBOHGZNOGGKBH-GPANFISMSA-N 2 2 302.422 1.588 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039025 777016796 /nfs/dbraw/zinc/01/67/96/777016796.db2.gz KACWKPLKWMMFDW-IHRRRGAJSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095045398 777046204 /nfs/dbraw/zinc/04/62/04/777046204.db2.gz DLDUBBTVRKKWDU-ZNMIVQPWSA-N 2 2 302.422 1.806 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403351 777120724 /nfs/dbraw/zinc/12/07/24/777120724.db2.gz CVTHIPXRYWEXAT-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403351 777120729 /nfs/dbraw/zinc/12/07/29/777120729.db2.gz CVTHIPXRYWEXAT-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175646021 777855277 /nfs/dbraw/zinc/85/52/77/777855277.db2.gz XVGUZTKRAHEYAG-GJZGRUSLSA-N 2 2 304.438 1.876 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175646021 777855287 /nfs/dbraw/zinc/85/52/87/777855287.db2.gz XVGUZTKRAHEYAG-GJZGRUSLSA-N 2 2 304.438 1.876 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174814 778062526 /nfs/dbraw/zinc/06/25/26/778062526.db2.gz JLNDJEIDWKAOBG-OAHLLOKOSA-N 2 2 322.453 1.430 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538669 778191482 /nfs/dbraw/zinc/19/14/82/778191482.db2.gz OANVIJVKJSJBMY-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538669 778191484 /nfs/dbraw/zinc/19/14/84/778191484.db2.gz OANVIJVKJSJBMY-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177064328 778423765 /nfs/dbraw/zinc/42/37/65/778423765.db2.gz MZNDGVFAUQSLAD-MRXNPFEDSA-N 2 2 304.438 1.746 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119726 778433585 /nfs/dbraw/zinc/43/35/85/778433585.db2.gz PCKQPOOIBVBCQX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119726 778433587 /nfs/dbraw/zinc/43/35/87/778433587.db2.gz PCKQPOOIBVBCQX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124416 778437229 /nfs/dbraw/zinc/43/72/29/778437229.db2.gz JUKXXFUTJJWONY-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124416 778437235 /nfs/dbraw/zinc/43/72/35/778437235.db2.gz JUKXXFUTJJWONY-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124416 778437240 /nfs/dbraw/zinc/43/72/40/778437240.db2.gz JUKXXFUTJJWONY-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124416 778437243 /nfs/dbraw/zinc/43/72/43/778437243.db2.gz JUKXXFUTJJWONY-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179005467 779258913 /nfs/dbraw/zinc/25/89/13/779258913.db2.gz OXYLCMBSHZTUAD-UXLLHSPISA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773909 779475507 /nfs/dbraw/zinc/47/55/07/779475507.db2.gz UONKDAOGGXNWKA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773909 779475512 /nfs/dbraw/zinc/47/55/12/779475512.db2.gz UONKDAOGGXNWKA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773909 779475515 /nfs/dbraw/zinc/47/55/15/779475515.db2.gz UONKDAOGGXNWKA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773909 779475519 /nfs/dbraw/zinc/47/55/19/779475519.db2.gz UONKDAOGGXNWKA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815909 779494815 /nfs/dbraw/zinc/49/48/15/779494815.db2.gz DPBWTXYUHKCOFZ-YOEHRIQHSA-N 2 2 302.422 1.509 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815909 779494821 /nfs/dbraw/zinc/49/48/21/779494821.db2.gz DPBWTXYUHKCOFZ-YOEHRIQHSA-N 2 2 302.422 1.509 20 30 DDEDLP CC[N@H+](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001118089656 781023184 /nfs/dbraw/zinc/02/31/84/781023184.db2.gz YGFZGFMCJSWNAD-UHFFFAOYSA-N 2 2 300.406 1.961 20 30 DDEDLP CC[N@@H+](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001118089656 781023192 /nfs/dbraw/zinc/02/31/92/781023192.db2.gz YGFZGFMCJSWNAD-UHFFFAOYSA-N 2 2 300.406 1.961 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001267140848 837409123 /nfs/dbraw/zinc/40/91/23/837409123.db2.gz XROYSSWMEDZSFX-HNNXBMFYSA-N 2 2 310.401 1.994 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267060094 837268682 /nfs/dbraw/zinc/26/86/82/837268682.db2.gz DASYTKLAYGZNHG-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267060094 837268691 /nfs/dbraw/zinc/26/86/91/837268691.db2.gz DASYTKLAYGZNHG-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267559016 838304408 /nfs/dbraw/zinc/30/44/08/838304408.db2.gz LWDRJCHBBGTOKV-HNNXBMFYSA-N 2 2 316.449 1.776 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267559016 838304413 /nfs/dbraw/zinc/30/44/13/838304413.db2.gz LWDRJCHBBGTOKV-HNNXBMFYSA-N 2 2 316.449 1.776 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586090 838370732 /nfs/dbraw/zinc/37/07/32/838370732.db2.gz JZEUWZLRAKFSIW-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586090 838370733 /nfs/dbraw/zinc/37/07/33/838370733.db2.gz JZEUWZLRAKFSIW-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001267857159 839085822 /nfs/dbraw/zinc/08/58/22/839085822.db2.gz VFBMRGGVVJKORW-CXAGYDPISA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001270166165 842349688 /nfs/dbraw/zinc/34/96/88/842349688.db2.gz SXJQRFVAJSLDJQ-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271155553 843323760 /nfs/dbraw/zinc/32/37/60/843323760.db2.gz PYAGHUSGVRTFLZ-OAHLLOKOSA-N 2 2 310.401 1.440 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380712 862206044 /nfs/dbraw/zinc/20/60/44/862206044.db2.gz YCGIDYQWBLMKJR-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380712 862206063 /nfs/dbraw/zinc/20/60/63/862206063.db2.gz YCGIDYQWBLMKJR-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274031949 851872307 /nfs/dbraw/zinc/87/23/07/851872307.db2.gz CQYPOSFZFAMTOL-KRWDZBQOSA-N 2 2 315.421 1.538 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274031949 851872312 /nfs/dbraw/zinc/87/23/12/851872312.db2.gz CQYPOSFZFAMTOL-KRWDZBQOSA-N 2 2 315.421 1.538 20 30 DDEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001275071826 852786476 /nfs/dbraw/zinc/78/64/76/852786476.db2.gz IDIBRRWQAGRCOG-SJLPKXTDSA-N 2 2 310.401 1.831 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001006433288 855406191 /nfs/dbraw/zinc/40/61/91/855406191.db2.gz DAWWQOSQOLAFNN-QGZVFWFLSA-N 2 2 321.465 1.206 20 30 DDEDLP C[NH+](C)C1(CNc2ncc(Cl)nc2C#N)CC[NH+](C)CC1 ZINC001156176714 862776202 /nfs/dbraw/zinc/77/62/02/862776202.db2.gz RDQJUNUUIJCXFA-UHFFFAOYSA-N 2 2 308.817 1.440 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001121905692 858628140 /nfs/dbraw/zinc/62/81/40/858628140.db2.gz NTKRRTCFUHLBAQ-OAHLLOKOSA-N 2 2 302.422 1.982 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ocnc2C)CC1 ZINC001141055143 860776838 /nfs/dbraw/zinc/77/68/38/860776838.db2.gz PWACAOXWVJHHPJ-UHFFFAOYSA-N 2 2 304.438 1.775 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922711 860959728 /nfs/dbraw/zinc/95/97/28/860959728.db2.gz UDYVEIADENSLSE-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922711 860959737 /nfs/dbraw/zinc/95/97/37/860959737.db2.gz UDYVEIADENSLSE-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CC[N@@H+](C)CCN(CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001156672058 863252790 /nfs/dbraw/zinc/25/27/90/863252790.db2.gz DPJWVJFTZWPGJP-JQIJEIRASA-N 2 2 309.454 1.231 20 30 DDEDLP C=CC[N@H+](C)CCN(CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001156672058 863252799 /nfs/dbraw/zinc/25/27/99/863252799.db2.gz DPJWVJFTZWPGJP-JQIJEIRASA-N 2 2 309.454 1.231 20 30 DDEDLP C=CCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001330512067 864418761 /nfs/dbraw/zinc/41/87/61/864418761.db2.gz LBTNMOVMDYVGKR-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001330512067 864418766 /nfs/dbraw/zinc/41/87/66/864418766.db2.gz LBTNMOVMDYVGKR-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001332145787 865611691 /nfs/dbraw/zinc/61/16/91/865611691.db2.gz KQGGZMIOUPZFAK-QLFBSQMISA-N 2 2 300.406 1.192 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCOC ZINC001332914083 866249788 /nfs/dbraw/zinc/24/97/88/866249788.db2.gz OOWKQLLTNILTGW-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001336798735 869150818 /nfs/dbraw/zinc/15/08/18/869150818.db2.gz YCUYWYCNDXOQGS-UHFFFAOYSA-N 2 2 321.371 1.981 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040039 870150278 /nfs/dbraw/zinc/15/02/78/870150278.db2.gz VMYWDBUSYWJZEZ-MRXNPFEDSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040039 870150284 /nfs/dbraw/zinc/15/02/84/870150284.db2.gz VMYWDBUSYWJZEZ-MRXNPFEDSA-N 2 2 316.449 1.546 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317044354 870158412 /nfs/dbraw/zinc/15/84/12/870158412.db2.gz LIKUKIFLQXVJQS-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317044354 870158421 /nfs/dbraw/zinc/15/84/21/870158421.db2.gz LIKUKIFLQXVJQS-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317044354 870158427 /nfs/dbraw/zinc/15/84/27/870158427.db2.gz LIKUKIFLQXVJQS-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317044354 870158436 /nfs/dbraw/zinc/15/84/36/870158436.db2.gz LIKUKIFLQXVJQS-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001317048302 870164157 /nfs/dbraw/zinc/16/41/57/870164157.db2.gz HZTXMWDWWJUHLK-CWRNSKLLSA-N 2 2 302.422 1.982 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001317048302 870164165 /nfs/dbraw/zinc/16/41/65/870164165.db2.gz HZTXMWDWWJUHLK-CWRNSKLLSA-N 2 2 302.422 1.982 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317150575 870370126 /nfs/dbraw/zinc/37/01/26/870370126.db2.gz CMSGMBVTBBZNNE-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317379569 870742562 /nfs/dbraw/zinc/74/25/62/870742562.db2.gz YCFWICYBWWOVRQ-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317379569 870742575 /nfs/dbraw/zinc/74/25/75/870742575.db2.gz YCFWICYBWWOVRQ-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537565 871617450 /nfs/dbraw/zinc/61/74/50/871617450.db2.gz RTNMFJPDGXOINC-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341843539 871850655 /nfs/dbraw/zinc/85/06/55/871850655.db2.gz WXXKRBLYJFFECJ-HUUCEWRRSA-N 2 2 304.438 1.885 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364904 874067303 /nfs/dbraw/zinc/06/73/03/874067303.db2.gz JKFLZMZVBYFDOG-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364904 874067317 /nfs/dbraw/zinc/06/73/17/874067317.db2.gz JKFLZMZVBYFDOG-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899468 875589022 /nfs/dbraw/zinc/58/90/22/875589022.db2.gz KFPYLPQHWNDKMT-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005784 876539158 /nfs/dbraw/zinc/53/91/58/876539158.db2.gz IBXHXSMSXISNMY-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005934 876539318 /nfs/dbraw/zinc/53/93/18/876539318.db2.gz LKXZJJXEOHMIMT-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005934 876539325 /nfs/dbraw/zinc/53/93/25/876539325.db2.gz LKXZJJXEOHMIMT-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853039 878546061 /nfs/dbraw/zinc/54/60/61/878546061.db2.gz CBYBRHKPEABYLL-OAGGEKHMSA-N 2 2 320.437 1.208 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853039 878546067 /nfs/dbraw/zinc/54/60/67/878546067.db2.gz CBYBRHKPEABYLL-OAGGEKHMSA-N 2 2 320.437 1.208 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166106 879544880 /nfs/dbraw/zinc/54/48/80/879544880.db2.gz JVPOEFZEYVWSOL-CABCVRRESA-N 2 2 308.426 1.015 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166106 879544895 /nfs/dbraw/zinc/54/48/95/879544895.db2.gz JVPOEFZEYVWSOL-CABCVRRESA-N 2 2 308.426 1.015 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001380659691 880138127 /nfs/dbraw/zinc/13/81/27/880138127.db2.gz ATXUKSIBUNSRMA-ZIAGYGMSSA-N 2 2 324.856 1.932 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001277991360 889283024 /nfs/dbraw/zinc/28/30/24/889283024.db2.gz WKWZDSSHHDDSJF-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001245985357 892301403 /nfs/dbraw/zinc/30/14/03/892301403.db2.gz RDNBUNWPQXFHDJ-KGLIPLIRSA-N 2 2 300.443 1.742 20 30 DDEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659948 896553777 /nfs/dbraw/zinc/55/37/77/896553777.db2.gz UMWQDPZSMSPGPD-KZNAEPCWSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659948 896553787 /nfs/dbraw/zinc/55/37/87/896553787.db2.gz UMWQDPZSMSPGPD-KZNAEPCWSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659948 896553796 /nfs/dbraw/zinc/55/37/96/896553796.db2.gz UMWQDPZSMSPGPD-KZNAEPCWSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254659948 896553806 /nfs/dbraw/zinc/55/38/06/896553806.db2.gz UMWQDPZSMSPGPD-KZNAEPCWSA-N 2 2 321.465 1.739 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001279005587 897794822 /nfs/dbraw/zinc/79/48/22/897794822.db2.gz CNFGGGXANXWANP-HUUCEWRRSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264520886 901167217 /nfs/dbraw/zinc/16/72/17/901167217.db2.gz QWFWTAMWWJLGTR-CJNGLKHVSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001279488876 903277483 /nfs/dbraw/zinc/27/74/83/903277483.db2.gz AYCJXCBVILYIQO-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001279488876 903277489 /nfs/dbraw/zinc/27/74/89/903277489.db2.gz AYCJXCBVILYIQO-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001279488876 903277502 /nfs/dbraw/zinc/27/75/02/903277502.db2.gz AYCJXCBVILYIQO-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001279488876 903277521 /nfs/dbraw/zinc/27/75/21/903277521.db2.gz AYCJXCBVILYIQO-CPUCHLNUSA-N 2 2 318.421 1.032 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001282615487 905902426 /nfs/dbraw/zinc/90/24/26/905902426.db2.gz NAFDYFNSRQEHPY-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282665912 905933448 /nfs/dbraw/zinc/93/34/48/905933448.db2.gz PEORZSLMIGNHFF-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282665912 905933455 /nfs/dbraw/zinc/93/34/55/905933455.db2.gz PEORZSLMIGNHFF-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001282930984 906268617 /nfs/dbraw/zinc/26/86/17/906268617.db2.gz ZRKQZPFRNKLQSK-KBPBESRZSA-N 2 2 320.437 1.469 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001372542208 907583643 /nfs/dbraw/zinc/58/36/43/907583643.db2.gz AZFSELGSZMHPNL-AWEZNQCLSA-N 2 2 315.845 1.042 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001372542208 907583656 /nfs/dbraw/zinc/58/36/56/907583656.db2.gz AZFSELGSZMHPNL-AWEZNQCLSA-N 2 2 315.845 1.042 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373680001 910599643 /nfs/dbraw/zinc/59/96/43/910599643.db2.gz CUPQZZMIINHXTL-ZIAGYGMSSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373680001 910599648 /nfs/dbraw/zinc/59/96/48/910599648.db2.gz CUPQZZMIINHXTL-ZIAGYGMSSA-N 2 2 301.862 1.858 20 30 DDEDLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001377070650 920243744 /nfs/dbraw/zinc/24/37/44/920243744.db2.gz GHEZKBAUJGCMQO-CYBMUJFWSA-N 2 2 311.389 1.508 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859406 353174954 /nfs/dbraw/zinc/17/49/54/353174954.db2.gz BISLVQRWHLYYRJ-QGZVFWFLSA-N 2 2 323.481 1.455 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859406 353174958 /nfs/dbraw/zinc/17/49/58/353174958.db2.gz BISLVQRWHLYYRJ-QGZVFWFLSA-N 2 2 323.481 1.455 20 30 DDEDLP N#CC1(CCC[NH+]2CCC([NH+]3CCOCC3)CC2)CCOCC1 ZINC000599471896 357948638 /nfs/dbraw/zinc/94/86/38/357948638.db2.gz GINHRHMSWQEROO-UHFFFAOYSA-N 2 2 321.465 1.884 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600749752 358306896 /nfs/dbraw/zinc/30/68/96/358306896.db2.gz RJIFDKWSGWOSLC-JKSUJKDBSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600749752 358306899 /nfs/dbraw/zinc/30/68/99/358306899.db2.gz RJIFDKWSGWOSLC-JKSUJKDBSA-N 2 2 317.433 1.760 20 30 DDEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000602604174 359068019 /nfs/dbraw/zinc/06/80/19/359068019.db2.gz XZPIBFZRZGRYNM-ZIAGYGMSSA-N 2 2 303.410 1.441 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000602893400 359276906 /nfs/dbraw/zinc/27/69/06/359276906.db2.gz VQDACSUKZBCXHN-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000602893400 359276907 /nfs/dbraw/zinc/27/69/07/359276907.db2.gz VQDACSUKZBCXHN-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329930474 223048786 /nfs/dbraw/zinc/04/87/86/223048786.db2.gz ZQOZYWGDTBFYIA-BXUZGUMPSA-N 2 2 318.377 1.956 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329930474 223048789 /nfs/dbraw/zinc/04/87/89/223048789.db2.gz ZQOZYWGDTBFYIA-BXUZGUMPSA-N 2 2 318.377 1.956 20 30 DDEDLP [O-]C(NCC1CC[NH+](C2CC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330236954 223093271 /nfs/dbraw/zinc/09/32/71/223093271.db2.gz HLMCYMXOMJDOJI-AWEZNQCLSA-N 2 2 317.437 1.576 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC[NH+](C2CC2)CC1 ZINC000330236954 223093275 /nfs/dbraw/zinc/09/32/75/223093275.db2.gz HLMCYMXOMJDOJI-AWEZNQCLSA-N 2 2 317.437 1.576 20 30 DDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075860181 406944643 /nfs/dbraw/zinc/94/46/43/406944643.db2.gz LBLUXGLWJOANDI-RDJZCZTQSA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075860181 406944645 /nfs/dbraw/zinc/94/46/45/406944645.db2.gz LBLUXGLWJOANDI-RDJZCZTQSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075860181 406944647 /nfs/dbraw/zinc/94/46/47/406944647.db2.gz LBLUXGLWJOANDI-RDJZCZTQSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075860181 406944650 /nfs/dbraw/zinc/94/46/50/406944650.db2.gz LBLUXGLWJOANDI-RDJZCZTQSA-N 2 2 306.454 1.601 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000186337594 407640438 /nfs/dbraw/zinc/64/04/38/407640438.db2.gz ZWINDUYGVLRWAV-UHFFFAOYSA-N 2 2 320.437 1.727 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1OC ZINC000131462414 407735434 /nfs/dbraw/zinc/73/54/34/407735434.db2.gz DONQIFHLOVKECW-KRWDZBQOSA-N 2 2 308.422 1.662 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136095888 408075075 /nfs/dbraw/zinc/07/50/75/408075075.db2.gz CUKYTYBKNGUGKA-HOTGVXAUSA-N 2 2 302.422 1.967 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136095888 408075078 /nfs/dbraw/zinc/07/50/78/408075078.db2.gz CUKYTYBKNGUGKA-HOTGVXAUSA-N 2 2 302.422 1.967 20 30 DDEDLP C[NH+]=C(NCc1ccoc1)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176317012 408337346 /nfs/dbraw/zinc/33/73/46/408337346.db2.gz DXFVPIKYTZXJJI-OKILXGFUSA-N 2 2 322.453 1.832 20 30 DDEDLP C[NH+]=C(NCc1ccoc1)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176317012 408337349 /nfs/dbraw/zinc/33/73/49/408337349.db2.gz DXFVPIKYTZXJJI-OKILXGFUSA-N 2 2 322.453 1.832 20 30 DDEDLP C[NH+]=C(NCc1ccn(C)c1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160110590 408458018 /nfs/dbraw/zinc/45/80/18/408458018.db2.gz XSDANKRENFSMKY-ZBFHGGJFSA-N 2 2 314.437 1.880 20 30 DDEDLP C=CCN1CC[C@@H]([NH+](C)CCC[N@@H+](C)Cc2ccco2)C1=O ZINC000285613769 409509344 /nfs/dbraw/zinc/50/93/44/409509344.db2.gz KIAOHVQKEOIHTP-MRXNPFEDSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@@H]([NH+](C)CCC[N@H+](C)Cc2ccco2)C1=O ZINC000285613769 409509348 /nfs/dbraw/zinc/50/93/48/409509348.db2.gz KIAOHVQKEOIHTP-MRXNPFEDSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH+](C)Cc2ccco2)C1=O ZINC000285613769 409509351 /nfs/dbraw/zinc/50/93/51/409509351.db2.gz KIAOHVQKEOIHTP-MRXNPFEDSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+](C)CCC[NH+](C)Cc2ccco2)C1=O ZINC000285613769 409509354 /nfs/dbraw/zinc/50/93/54/409509354.db2.gz KIAOHVQKEOIHTP-MRXNPFEDSA-N 2 2 305.422 1.820 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297487858 409919848 /nfs/dbraw/zinc/91/98/48/409919848.db2.gz NCBRYVNOOJLXNN-HZPDHXFCSA-N 2 2 317.437 1.431 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297487858 409919857 /nfs/dbraw/zinc/91/98/57/409919857.db2.gz NCBRYVNOOJLXNN-HZPDHXFCSA-N 2 2 317.437 1.431 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247226758 222228118 /nfs/dbraw/zinc/22/81/18/222228118.db2.gz CZJKCTSFNRFSQU-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247226758 222228121 /nfs/dbraw/zinc/22/81/21/222228121.db2.gz CZJKCTSFNRFSQU-KGLIPLIRSA-N 2 2 310.442 1.050 20 30 DDEDLP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261942714 222261803 /nfs/dbraw/zinc/26/18/03/222261803.db2.gz DXWMIXMEFYUTSH-HRCADAONSA-N 3 2 320.485 1.682 20 30 DDEDLP CCNC(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)=[NH+]CC ZINC000263961010 222309248 /nfs/dbraw/zinc/30/92/48/222309248.db2.gz KAJNUMYFISUKQO-INIZCTEOSA-N 2 2 304.438 1.462 20 30 DDEDLP CCNC(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)=[NH+]CC ZINC000263961010 222309253 /nfs/dbraw/zinc/30/92/53/222309253.db2.gz KAJNUMYFISUKQO-INIZCTEOSA-N 2 2 304.438 1.462 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264124959 222321916 /nfs/dbraw/zinc/32/19/16/222321916.db2.gz VZUVUTPTDDWTNS-CQSZACIVSA-N 2 2 321.444 1.651 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000377262498 418707706 /nfs/dbraw/zinc/70/77/06/418707706.db2.gz PREJHFWLPWPVSW-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000377262498 418707709 /nfs/dbraw/zinc/70/77/09/418707709.db2.gz PREJHFWLPWPVSW-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706470 418737272 /nfs/dbraw/zinc/73/72/72/418737272.db2.gz KNZGPRCIVKSTHE-IAGOWNOFSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706470 418737274 /nfs/dbraw/zinc/73/72/74/418737274.db2.gz KNZGPRCIVKSTHE-IAGOWNOFSA-N 2 2 305.466 1.971 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)CC1 ZINC000364205540 418774591 /nfs/dbraw/zinc/77/45/91/418774591.db2.gz HGIUYIISCXFACE-INIZCTEOSA-N 2 2 312.417 1.457 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)CC1 ZINC000364205540 418774594 /nfs/dbraw/zinc/77/45/94/418774594.db2.gz HGIUYIISCXFACE-INIZCTEOSA-N 2 2 312.417 1.457 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000424131614 228232169 /nfs/dbraw/zinc/23/21/69/228232169.db2.gz JJZRJJIDLYZHFD-HNNXBMFYSA-N 2 2 315.421 1.709 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000424137852 228233447 /nfs/dbraw/zinc/23/34/47/228233447.db2.gz PKZKCZZTYBNOEC-INIZCTEOSA-N 2 2 311.389 1.569 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)ncn3)CC2)CC1 ZINC000562435839 421366095 /nfs/dbraw/zinc/36/60/95/421366095.db2.gz HNCFICIXEWMDPJ-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000530360974 421597290 /nfs/dbraw/zinc/59/72/90/421597290.db2.gz SSXOSJXLCMXSDS-OAHLLOKOSA-N 2 2 316.453 1.207 20 30 DDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1C#N ZINC000530360974 421597291 /nfs/dbraw/zinc/59/72/91/421597291.db2.gz SSXOSJXLCMXSDS-OAHLLOKOSA-N 2 2 316.453 1.207 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165247 421617909 /nfs/dbraw/zinc/61/79/09/421617909.db2.gz JFMRVYPNFGHFSW-QWHCGFSZSA-N 2 2 301.394 1.160 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165247 421617913 /nfs/dbraw/zinc/61/79/13/421617913.db2.gz JFMRVYPNFGHFSW-QWHCGFSZSA-N 2 2 301.394 1.160 20 30 DDEDLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000565359156 421598269 /nfs/dbraw/zinc/59/82/69/421598269.db2.gz QHXUDGHGNLWWBR-INIZCTEOSA-N 2 2 314.389 1.058 20 30 DDEDLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000571198764 421695807 /nfs/dbraw/zinc/69/58/07/421695807.db2.gz YIBFOQCHDHRNDS-YYIAUSFCSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000571198764 421695809 /nfs/dbraw/zinc/69/58/09/421695809.db2.gz YIBFOQCHDHRNDS-YYIAUSFCSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000571198764 421695812 /nfs/dbraw/zinc/69/58/12/421695812.db2.gz YIBFOQCHDHRNDS-YYIAUSFCSA-N 2 2 310.486 1.149 20 30 DDEDLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000571198764 421695814 /nfs/dbraw/zinc/69/58/14/421695814.db2.gz YIBFOQCHDHRNDS-YYIAUSFCSA-N 2 2 310.486 1.149 20 30 DDEDLP C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571298471 421704839 /nfs/dbraw/zinc/70/48/39/421704839.db2.gz WVNFZHOBTRQJBP-HNNXBMFYSA-N 2 2 302.422 1.912 20 30 DDEDLP C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571298471 421704842 /nfs/dbraw/zinc/70/48/42/421704842.db2.gz WVNFZHOBTRQJBP-HNNXBMFYSA-N 2 2 302.422 1.912 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000572631659 421806762 /nfs/dbraw/zinc/80/67/62/421806762.db2.gz AZRHGPBSSMUMRC-DLBZAZTESA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000572631659 421806763 /nfs/dbraw/zinc/80/67/63/421806763.db2.gz AZRHGPBSSMUMRC-DLBZAZTESA-N 2 2 304.434 1.839 20 30 DDEDLP C=CC[N@H+](CCOC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639608690 423602624 /nfs/dbraw/zinc/60/26/24/423602624.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CC[NH+](CCOC)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639608690 423602634 /nfs/dbraw/zinc/60/26/34/423602634.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CC[NH+](CCOC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639608690 423602638 /nfs/dbraw/zinc/60/26/38/423602638.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000651752697 423671044 /nfs/dbraw/zinc/67/10/44/423671044.db2.gz PYSQCDULVQNPNJ-ZACQAIPSSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCCOC)CC2)nn1 ZINC000657343136 424294248 /nfs/dbraw/zinc/29/42/48/424294248.db2.gz JHCAOBKYACGVDN-UHFFFAOYSA-N 2 2 307.442 1.445 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000660597989 424727182 /nfs/dbraw/zinc/72/71/82/424727182.db2.gz VEBZQVBIEVXVAH-ZDUSSCGKSA-N 2 2 305.426 1.821 20 30 DDEDLP CC1(C)C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000367738134 265971235 /nfs/dbraw/zinc/97/12/35/265971235.db2.gz RTXIXAIAWJGNEZ-INIZCTEOSA-N 2 2 324.432 1.792 20 30 DDEDLP CC1(C)C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000367738134 265971238 /nfs/dbraw/zinc/97/12/38/265971238.db2.gz RTXIXAIAWJGNEZ-INIZCTEOSA-N 2 2 324.432 1.792 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374212234 268067166 /nfs/dbraw/zinc/06/71/66/268067166.db2.gz PEJIYPAGWCBTSO-UHFFFAOYSA-N 2 2 323.400 1.777 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329633017 534764354 /nfs/dbraw/zinc/76/43/54/534764354.db2.gz SFIKVUAZPLUEGE-NWDGAFQWSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329633017 534764362 /nfs/dbraw/zinc/76/43/62/534764362.db2.gz SFIKVUAZPLUEGE-NWDGAFQWSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330282692 534764604 /nfs/dbraw/zinc/76/46/04/534764604.db2.gz VNFRGKFNXUPLSS-CYBMUJFWSA-N 2 2 314.393 1.715 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC=C)CCc2ccco2)CC1 ZINC000490912812 526948541 /nfs/dbraw/zinc/94/85/41/526948541.db2.gz AZSNNPKBURTTBN-UHFFFAOYSA-N 2 2 315.417 1.088 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC=C)CCc2ccco2)CC1 ZINC000490912812 526948549 /nfs/dbraw/zinc/94/85/49/526948549.db2.gz AZSNNPKBURTTBN-UHFFFAOYSA-N 2 2 315.417 1.088 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491553651 527330938 /nfs/dbraw/zinc/33/09/38/527330938.db2.gz BNTKQPHYHQWIGG-HNNXBMFYSA-N 2 2 315.417 1.411 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491553651 527330939 /nfs/dbraw/zinc/33/09/39/527330939.db2.gz BNTKQPHYHQWIGG-HNNXBMFYSA-N 2 2 315.417 1.411 20 30 DDEDLP C=CCn1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)nn1 ZINC000424172434 527372134 /nfs/dbraw/zinc/37/21/34/527372134.db2.gz NXWZEXXGNJZEIZ-UHFFFAOYSA-N 2 2 309.377 1.643 20 30 DDEDLP CCCCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331251765 528019872 /nfs/dbraw/zinc/01/98/72/528019872.db2.gz TXUZUHQPPSVWTD-UHFFFAOYSA-N 2 2 307.398 1.419 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980220534 696711514 /nfs/dbraw/zinc/71/15/14/696711514.db2.gz VLBDMYSJYMUJNJ-SOUVJXGZSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC000980220534 696711517 /nfs/dbraw/zinc/71/15/17/696711517.db2.gz VLBDMYSJYMUJNJ-SOUVJXGZSA-N 2 2 302.422 1.663 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043917 695784351 /nfs/dbraw/zinc/78/43/51/695784351.db2.gz WDHACHQUZDOPAK-GOEBONIOSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043917 695784353 /nfs/dbraw/zinc/78/43/53/695784353.db2.gz WDHACHQUZDOPAK-GOEBONIOSA-N 2 2 314.433 1.214 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987261624 698063004 /nfs/dbraw/zinc/06/30/04/698063004.db2.gz SAFQZBWWHKSNGT-XJKSGUPXSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000989040305 698523858 /nfs/dbraw/zinc/52/38/58/698523858.db2.gz HHHIYRVSWXBIFI-DZGCQCFKSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CCS(=O)(=O)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784609753 699031165 /nfs/dbraw/zinc/03/11/65/699031165.db2.gz KCNWDWMSLWUQOQ-UHFFFAOYSA-N 2 2 311.432 1.624 20 30 DDEDLP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866230796 706655430 /nfs/dbraw/zinc/65/54/30/706655430.db2.gz CVUGZUMKSBEGNJ-OAHLLOKOSA-N 2 2 316.449 1.942 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870157767 703937236 /nfs/dbraw/zinc/93/72/36/703937236.db2.gz NTHXDZDFJFOKSS-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccccc1CC#N ZINC000855415130 704484537 /nfs/dbraw/zinc/48/45/37/704484537.db2.gz QLPHGENJZRAGPP-UHFFFAOYSA-N 2 2 316.449 1.295 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccccc1CC#N ZINC000855415130 704484538 /nfs/dbraw/zinc/48/45/38/704484538.db2.gz QLPHGENJZRAGPP-UHFFFAOYSA-N 2 2 316.449 1.295 20 30 DDEDLP C#CC[N@@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000876638843 705796818 /nfs/dbraw/zinc/79/68/18/705796818.db2.gz HLPCGNKWVYYVDM-UHFFFAOYSA-N 2 2 302.418 1.853 20 30 DDEDLP C#CC[N@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000876638843 705796822 /nfs/dbraw/zinc/79/68/22/705796822.db2.gz HLPCGNKWVYYVDM-UHFFFAOYSA-N 2 2 302.418 1.853 20 30 DDEDLP Cc1[nH+]ccn1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876747263 705854933 /nfs/dbraw/zinc/85/49/33/705854933.db2.gz ZMLXXKVRAWCKEP-INIZCTEOSA-N 2 2 309.373 1.066 20 30 DDEDLP Cc1nc(C#N)cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881978255 707451858 /nfs/dbraw/zinc/45/18/58/707451858.db2.gz ZXSGODGCSWYEDJ-CYBMUJFWSA-N 2 2 300.410 1.237 20 30 DDEDLP Cc1nc(C#N)cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881978255 707451862 /nfs/dbraw/zinc/45/18/62/707451862.db2.gz ZXSGODGCSWYEDJ-CYBMUJFWSA-N 2 2 300.410 1.237 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883131500 707935672 /nfs/dbraw/zinc/93/56/72/707935672.db2.gz FGEHUPSBPWWJQI-UHFFFAOYSA-N 2 2 321.377 1.657 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883131500 707935674 /nfs/dbraw/zinc/93/56/74/707935674.db2.gz FGEHUPSBPWWJQI-UHFFFAOYSA-N 2 2 321.377 1.657 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000883131903 707936166 /nfs/dbraw/zinc/93/61/66/707936166.db2.gz YGNQGDICRCOBNS-UHFFFAOYSA-N 2 2 317.433 1.198 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000883131903 707936168 /nfs/dbraw/zinc/93/61/68/707936168.db2.gz YGNQGDICRCOBNS-UHFFFAOYSA-N 2 2 317.433 1.198 20 30 DDEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000883180516 707949495 /nfs/dbraw/zinc/94/94/95/707949495.db2.gz DQTYVYNCOAQBST-SFHVURJKSA-N 2 2 315.461 1.928 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000900355548 709551996 /nfs/dbraw/zinc/55/19/96/709551996.db2.gz XAVWNUGDPBJBPP-UHFFFAOYSA-N 2 2 317.433 1.965 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@@H]2CCOC2)cc1 ZINC000902717481 710876744 /nfs/dbraw/zinc/87/67/44/710876744.db2.gz PTPVUODCPGOYBA-OAHLLOKOSA-N 2 2 307.394 1.191 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000923559565 714403167 /nfs/dbraw/zinc/40/31/67/714403167.db2.gz OSSQKVOITPDXAK-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000923559565 714403168 /nfs/dbraw/zinc/40/31/68/714403168.db2.gz OSSQKVOITPDXAK-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000939530534 716307570 /nfs/dbraw/zinc/30/75/70/716307570.db2.gz RNHUEFQXJSHSSG-CZUORRHYSA-N 2 2 311.389 1.503 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267339 716888617 /nfs/dbraw/zinc/88/86/17/716888617.db2.gz HKYGTKNBLNCYAP-JKSUJKDBSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961267339 716888619 /nfs/dbraw/zinc/88/86/19/716888619.db2.gz HKYGTKNBLNCYAP-JKSUJKDBSA-N 2 2 314.433 1.156 20 30 DDEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000963581227 717837057 /nfs/dbraw/zinc/83/70/57/717837057.db2.gz IWVGYGUHVHBMLO-FHERZECASA-N 2 2 316.449 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437527 719163206 /nfs/dbraw/zinc/16/32/06/719163206.db2.gz RZJWYMWXHGBAFT-DZGCQCFKSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437527 719163208 /nfs/dbraw/zinc/16/32/08/719163208.db2.gz RZJWYMWXHGBAFT-DZGCQCFKSA-N 2 2 303.406 1.788 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000947889708 719299452 /nfs/dbraw/zinc/29/94/52/719299452.db2.gz DXXSYTZZQZJJOL-CABCVRRESA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000947889708 719299453 /nfs/dbraw/zinc/29/94/53/719299453.db2.gz DXXSYTZZQZJJOL-CABCVRRESA-N 2 2 323.400 1.483 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969888103 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1.222 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073765302 773389855 /nfs/dbraw/zinc/38/98/55/773389855.db2.gz PXVRTICZUZJZFX-KGLIPLIRSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001073765302 773389863 /nfs/dbraw/zinc/38/98/63/773389863.db2.gz PXVRTICZUZJZFX-KGLIPLIRSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001074266358 773778362 /nfs/dbraw/zinc/77/83/62/773778362.db2.gz IWOMKWNMXVPMLD-HZPDHXFCSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001074266358 773778365 /nfs/dbraw/zinc/77/83/65/773778365.db2.gz IWOMKWNMXVPMLD-HZPDHXFCSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092241880 774027314 /nfs/dbraw/zinc/02/73/14/774027314.db2.gz CCNQAQGAQUIZOY-QAPCUYQASA-N 2 2 314.433 1.156 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092241880 774027320 /nfs/dbraw/zinc/02/73/20/774027320.db2.gz CCNQAQGAQUIZOY-QAPCUYQASA-N 2 2 314.433 1.156 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001074719367 774083780 /nfs/dbraw/zinc/08/37/80/774083780.db2.gz AIQRYYQSJTXFEJ-CFVMTHIKSA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001074719367 774083782 /nfs/dbraw/zinc/08/37/82/774083782.db2.gz AIQRYYQSJTXFEJ-CFVMTHIKSA-N 2 2 316.449 1.978 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778500 774593707 /nfs/dbraw/zinc/59/37/07/774593707.db2.gz UFCPXBRFTLZUSF-HOTGVXAUSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778500 774593710 /nfs/dbraw/zinc/59/37/10/774593710.db2.gz UFCPXBRFTLZUSF-HOTGVXAUSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001098663962 774634069 /nfs/dbraw/zinc/63/40/69/774634069.db2.gz JTDPNWZREMWALA-OAHLLOKOSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829727 774826528 /nfs/dbraw/zinc/82/65/28/774826528.db2.gz KHYZBUXPTGXQLQ-GXTWGEPZSA-N 2 2 308.813 1.628 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829727 774826535 /nfs/dbraw/zinc/82/65/35/774826535.db2.gz KHYZBUXPTGXQLQ-GXTWGEPZSA-N 2 2 308.813 1.628 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099287382 774932898 /nfs/dbraw/zinc/93/28/98/774932898.db2.gz GZELJBLFFDOFRP-VXGBXAGGSA-N 2 2 316.327 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359027 774963902 /nfs/dbraw/zinc/96/39/02/774963902.db2.gz LXCAVWMLKGPPNX-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359027 774963904 /nfs/dbraw/zinc/96/39/04/774963904.db2.gz LXCAVWMLKGPPNX-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870387 775006759 /nfs/dbraw/zinc/00/67/59/775006759.db2.gz UDPLUJDJSSRYGD-KBPBESRZSA-N 2 2 300.406 1.243 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870387 775006766 /nfs/dbraw/zinc/00/67/66/775006766.db2.gz UDPLUJDJSSRYGD-KBPBESRZSA-N 2 2 300.406 1.243 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867249 775017058 /nfs/dbraw/zinc/01/70/58/775017058.db2.gz RJMPKKGGBOYDGQ-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867249 775017067 /nfs/dbraw/zinc/01/70/67/775017067.db2.gz RJMPKKGGBOYDGQ-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001100348129 776032599 /nfs/dbraw/zinc/03/25/99/776032599.db2.gz XBXGTTBBMIACIS-UHFFFAOYSA-N 2 2 316.449 1.822 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440346 776158804 /nfs/dbraw/zinc/15/88/04/776158804.db2.gz ROKIEJQPPMZAFV-UHFFFAOYSA-N 2 2 303.406 1.693 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458083 776183007 /nfs/dbraw/zinc/18/30/07/776183007.db2.gz NBIHIXGEFDIUMD-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789610 776542425 /nfs/dbraw/zinc/54/24/25/776542425.db2.gz FTPYWQBQEGSKOK-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]21 ZINC001177043270 778406377 /nfs/dbraw/zinc/40/63/77/778406377.db2.gz WBQGJFPHCLZVIM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]21 ZINC001177043270 778406379 /nfs/dbraw/zinc/40/63/79/778406379.db2.gz WBQGJFPHCLZVIM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177043270 778406380 /nfs/dbraw/zinc/40/63/80/778406380.db2.gz WBQGJFPHCLZVIM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@H]21 ZINC001177043270 778406381 /nfs/dbraw/zinc/40/63/81/778406381.db2.gz WBQGJFPHCLZVIM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301092 778517567 /nfs/dbraw/zinc/51/75/67/778517567.db2.gz QVCYBFZSCBIMON-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178879407 779209607 /nfs/dbraw/zinc/20/96/07/779209607.db2.gz AGNXWXHXPZBRQL-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179005107 779257872 /nfs/dbraw/zinc/25/78/72/779257872.db2.gz AMAVRWWBPCRTFU-DZKIICNBSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178544 779638138 /nfs/dbraw/zinc/63/81/38/779638138.db2.gz IKPLZCZMLVFYDC-UHFFFAOYSA-N 2 2 304.438 1.642 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655779 780311628 /nfs/dbraw/zinc/31/16/28/780311628.db2.gz JWOYDALQBDETFK-UHFFFAOYSA-N 2 2 302.422 1.705 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001266988971 837156067 /nfs/dbraw/zinc/15/60/67/837156067.db2.gz FLPYFBUUWSQXFQ-CQSZACIVSA-N 2 2 310.401 1.407 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001269618922 841833257 /nfs/dbraw/zinc/83/32/57/841833257.db2.gz ITNFJCXAECYVOH-CPUCHLNUSA-N 2 2 300.406 1.411 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001269618922 841833264 /nfs/dbraw/zinc/83/32/64/841833264.db2.gz ITNFJCXAECYVOH-CPUCHLNUSA-N 2 2 300.406 1.411 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001269920456 842155132 /nfs/dbraw/zinc/15/51/32/842155132.db2.gz OESQSLZUQILGIE-UHFFFAOYSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001270436745 842576170 /nfs/dbraw/zinc/57/61/70/842576170.db2.gz RTZMGJZIBIAWSQ-LSDHHAIUSA-N 2 2 304.438 1.754 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270682149 842814601 /nfs/dbraw/zinc/81/46/01/842814601.db2.gz IRVKKHABOAXPJN-CVEARBPZSA-N 2 2 311.470 1.500 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270682149 842814611 /nfs/dbraw/zinc/81/46/11/842814611.db2.gz IRVKKHABOAXPJN-CVEARBPZSA-N 2 2 311.470 1.500 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCOCC1 ZINC001271050320 843164108 /nfs/dbraw/zinc/16/41/08/843164108.db2.gz NGPYJRPFAGICGJ-UHFFFAOYSA-N 2 2 315.417 1.509 20 30 DDEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271108368 843218043 /nfs/dbraw/zinc/21/80/43/843218043.db2.gz BRVSNNLVHKNXTA-AWEZNQCLSA-N 2 2 324.375 1.288 20 30 DDEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001271108368 843218054 /nfs/dbraw/zinc/21/80/54/843218054.db2.gz BRVSNNLVHKNXTA-AWEZNQCLSA-N 2 2 324.375 1.288 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CO2 ZINC001327409160 862150709 /nfs/dbraw/zinc/15/07/09/862150709.db2.gz WDTZKWAAIQUBKL-JKSUJKDBSA-N 2 2 323.481 1.642 20 30 DDEDLP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001273529474 851061991 /nfs/dbraw/zinc/06/19/91/851061991.db2.gz HHYBGWILRPKJAF-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001273529474 851061995 /nfs/dbraw/zinc/06/19/95/851061995.db2.gz HHYBGWILRPKJAF-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP C=C(C)CC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001274014401 851849904 /nfs/dbraw/zinc/84/99/04/851849904.db2.gz SRYCCHJNYCFDJW-UHFFFAOYSA-N 2 2 320.437 1.482 20 30 DDEDLP C[NH+](C)C1(CNc2ncc3c(C#N)c[nH]c3n2)CC[NH+](C)CC1 ZINC001156184960 862787161 /nfs/dbraw/zinc/78/71/61/862787161.db2.gz KNYWNDTVVPRMGM-UHFFFAOYSA-N 2 2 313.409 1.267 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815408 862987117 /nfs/dbraw/zinc/98/71/17/862987117.db2.gz UUIOPROFQSAWDJ-GOEBONIOSA-N 2 2 309.454 1.158 20 30 DDEDLP C=CCCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001122063455 858675987 /nfs/dbraw/zinc/67/59/87/858675987.db2.gz JTDKPQBNQRKUSY-UHFFFAOYSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329886027 863919860 /nfs/dbraw/zinc/91/98/60/863919860.db2.gz BIYIMMVFKQUEFI-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158148899 864456723 /nfs/dbraw/zinc/45/67/23/864456723.db2.gz UTIAXCALRNYTSS-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001158148899 864456733 /nfs/dbraw/zinc/45/67/33/864456733.db2.gz UTIAXCALRNYTSS-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471421 864675871 /nfs/dbraw/zinc/67/58/71/864675871.db2.gz KFWIGPCLUVWXKJ-MRXNPFEDSA-N 2 2 319.453 1.852 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471421 864675876 /nfs/dbraw/zinc/67/58/76/864675876.db2.gz KFWIGPCLUVWXKJ-MRXNPFEDSA-N 2 2 319.453 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC001330915023 864699875 /nfs/dbraw/zinc/69/98/75/864699875.db2.gz CYHLOJCEFCGQQE-INIZCTEOSA-N 2 2 317.437 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC001330915023 864699887 /nfs/dbraw/zinc/69/98/87/864699887.db2.gz CYHLOJCEFCGQQE-INIZCTEOSA-N 2 2 317.437 1.321 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001331202338 864940424 /nfs/dbraw/zinc/94/04/24/864940424.db2.gz GDUJDTMVZFZFIW-NVXWUHKLSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001160198157 865723109 /nfs/dbraw/zinc/72/31/09/865723109.db2.gz VBCVAOBNCIIPJL-CABCVRRESA-N 2 2 318.421 1.238 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001160198157 865723115 /nfs/dbraw/zinc/72/31/15/865723115.db2.gz VBCVAOBNCIIPJL-CABCVRRESA-N 2 2 318.421 1.238 20 30 DDEDLP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001319921459 866386886 /nfs/dbraw/zinc/38/68/86/866386886.db2.gz HJCXLWXCEUTBIB-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001333120010 866437863 /nfs/dbraw/zinc/43/78/63/866437863.db2.gz MJGXTDZWHGALJT-QQFBHYJXSA-N 2 2 318.421 1.063 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165834315 869728048 /nfs/dbraw/zinc/72/80/48/869728048.db2.gz ANCXRUUBPLGRJD-HNNXBMFYSA-N 2 2 314.433 1.345 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849612 869735466 /nfs/dbraw/zinc/73/54/66/869735466.db2.gz VENXNGLSBFQMLR-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317323212 870641572 /nfs/dbraw/zinc/64/15/72/870641572.db2.gz UANZBAZEFPCJRN-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679763 870709475 /nfs/dbraw/zinc/70/94/75/870709475.db2.gz ZCHMUWNHVKBXKT-HZPDHXFCSA-N 2 2 314.433 1.393 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203804497 870768038 /nfs/dbraw/zinc/76/80/38/870768038.db2.gz UHTCGECFWCYDLB-CABCVRRESA-N 2 2 302.422 1.866 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317399852 870769334 /nfs/dbraw/zinc/76/93/34/870769334.db2.gz WOEGGBZYQCYYDW-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001317633359 871263115 /nfs/dbraw/zinc/26/31/15/871263115.db2.gz CQDODZRMEOVEFS-UHFFFAOYSA-N 2 2 315.352 1.211 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316880707 872196634 /nfs/dbraw/zinc/19/66/34/872196634.db2.gz NLDSBAJMILUWHD-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001318687852 872204824 /nfs/dbraw/zinc/20/48/24/872204824.db2.gz QJRPMWDMQKNZCH-WBVHZDCISA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318687852 872204841 /nfs/dbraw/zinc/20/48/41/872204841.db2.gz QJRPMWDMQKNZCH-WBVHZDCISA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905573 872740073 /nfs/dbraw/zinc/74/00/73/872740073.db2.gz CQGYZRJAOXKIHI-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659841 873450464 /nfs/dbraw/zinc/45/04/64/873450464.db2.gz PGEZWJCNMZELKU-OAGGEKHMSA-N 2 2 302.422 1.540 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659841 873450471 /nfs/dbraw/zinc/45/04/71/873450471.db2.gz PGEZWJCNMZELKU-OAGGEKHMSA-N 2 2 302.422 1.540 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001379533476 877320077 /nfs/dbraw/zinc/32/00/77/877320077.db2.gz DVDWZMXHVNDYDJ-AWEZNQCLSA-N 2 2 311.389 1.439 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089154 880235019 /nfs/dbraw/zinc/23/50/19/880235019.db2.gz ASMNSCMRHKKBMF-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089154 880235040 /nfs/dbraw/zinc/23/50/40/880235040.db2.gz ASMNSCMRHKKBMF-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001223577890 881011140 /nfs/dbraw/zinc/01/11/40/881011140.db2.gz KKUHSOHFZRWDHW-UHFFFAOYSA-N 2 2 315.417 1.484 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864772 896890428 /nfs/dbraw/zinc/89/04/28/896890428.db2.gz JLSWHEIWWPZNFH-MRXNPFEDSA-N 2 2 319.449 1.948 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864772 896890446 /nfs/dbraw/zinc/89/04/46/896890446.db2.gz JLSWHEIWWPZNFH-MRXNPFEDSA-N 2 2 319.449 1.948 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001279005584 897795309 /nfs/dbraw/zinc/79/53/09/897795309.db2.gz CNFGGGXANXWANP-GJZGRUSLSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038232 897942171 /nfs/dbraw/zinc/94/21/71/897942171.db2.gz GHPZQVXFGYGDTM-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(C#N)s1 ZINC001390503867 899560745 /nfs/dbraw/zinc/56/07/45/899560745.db2.gz FSRFYYBISKOVJU-NSHDSACASA-N 2 2 317.418 1.190 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266234935 903165722 /nfs/dbraw/zinc/16/57/22/903165722.db2.gz OFYPGYYYUBHDGN-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266234935 903165729 /nfs/dbraw/zinc/16/57/29/903165729.db2.gz OFYPGYYYUBHDGN-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001281940665 905331679 /nfs/dbraw/zinc/33/16/79/905331679.db2.gz VCAVXOOEDOEYFB-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001281940665 905331694 /nfs/dbraw/zinc/33/16/94/905331694.db2.gz VCAVXOOEDOEYFB-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[NH2+]CCCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283473388 907409660 /nfs/dbraw/zinc/40/96/60/907409660.db2.gz YDSLDJHDBZGSSB-UHFFFAOYSA-N 2 2 314.389 1.002 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284026611 908337537 /nfs/dbraw/zinc/33/75/37/908337537.db2.gz QOVGDMHLYIVRFA-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001394699847 910333111 /nfs/dbraw/zinc/33/31/11/910333111.db2.gz FOKJEMRMFBNLFI-KGLIPLIRSA-N 2 2 324.856 1.980 20 30 DDEDLP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377796268 923071801 /nfs/dbraw/zinc/07/18/01/923071801.db2.gz QVEAERNWUGTMHL-UHFFFAOYSA-N 2 2 310.829 1.875 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377796268 923071816 /nfs/dbraw/zinc/07/18/16/923071816.db2.gz QVEAERNWUGTMHL-UHFFFAOYSA-N 2 2 310.829 1.875 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103527 529922358 /nfs/dbraw/zinc/92/23/58/529922358.db2.gz TVOBSUYOTOROJP-DLBZAZTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103527 529922359 /nfs/dbraw/zinc/92/23/59/529922359.db2.gz TVOBSUYOTOROJP-DLBZAZTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000339103527 529922361 /nfs/dbraw/zinc/92/23/61/529922361.db2.gz TVOBSUYOTOROJP-DLBZAZTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000339103527 529922362 /nfs/dbraw/zinc/92/23/62/529922362.db2.gz TVOBSUYOTOROJP-DLBZAZTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330532681 530049979 /nfs/dbraw/zinc/04/99/79/530049979.db2.gz UADCOSDIEVUWTQ-UHFFFAOYSA-N 2 2 319.331 1.543 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000594718283 356295459 /nfs/dbraw/zinc/29/54/59/356295459.db2.gz NCOMACCDKZWFTP-HZPDHXFCSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000594718283 356295463 /nfs/dbraw/zinc/29/54/63/356295463.db2.gz NCOMACCDKZWFTP-HZPDHXFCSA-N 2 2 317.433 1.760 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597344108 357141435 /nfs/dbraw/zinc/14/14/35/357141435.db2.gz HLPKTEJIWVAGNT-UHFFFAOYSA-N 2 2 320.481 1.993 20 30 DDEDLP N#CC1(C[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000599305850 357885111 /nfs/dbraw/zinc/88/51/11/357885111.db2.gz AENQYOPAPWTZHT-HNNXBMFYSA-N 2 2 318.421 1.660 20 30 DDEDLP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1cc(C)[nH+]cc1C#N)C2 ZINC000601183283 358437851 /nfs/dbraw/zinc/43/78/51/358437851.db2.gz DBBXWLRKUUTGBO-AWEZNQCLSA-N 2 2 311.389 1.150 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000602479947 359005727 /nfs/dbraw/zinc/00/57/27/359005727.db2.gz CMJVNGCTSZYWKQ-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000602479947 359005733 /nfs/dbraw/zinc/00/57/33/359005733.db2.gz CMJVNGCTSZYWKQ-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C#N)n1 ZINC000602484206 359010123 /nfs/dbraw/zinc/01/01/23/359010123.db2.gz ILIABYOFKLOCAV-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C#N)n1 ZINC000602484206 359010128 /nfs/dbraw/zinc/01/01/28/359010128.db2.gz ILIABYOFKLOCAV-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP COC1CC[NH+](CC[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602587995 359058078 /nfs/dbraw/zinc/05/80/78/359058078.db2.gz KVKIXPZSNWGIDV-OAHLLOKOSA-N 2 2 309.454 1.786 20 30 DDEDLP O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329890835 223043314 /nfs/dbraw/zinc/04/33/14/223043314.db2.gz GWLQFGNHTJPKGL-KRWDZBQOSA-N 2 2 323.437 1.061 20 30 DDEDLP O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329890835 223043316 /nfs/dbraw/zinc/04/33/16/223043316.db2.gz GWLQFGNHTJPKGL-KRWDZBQOSA-N 2 2 323.437 1.061 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258140 360278599 /nfs/dbraw/zinc/27/85/99/360278599.db2.gz MYNVEICXDCRVHS-BFYDXBDKSA-N 2 2 317.437 1.963 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258140 360278602 /nfs/dbraw/zinc/27/86/02/360278602.db2.gz MYNVEICXDCRVHS-BFYDXBDKSA-N 2 2 317.437 1.963 20 30 DDEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000331166973 223190582 /nfs/dbraw/zinc/19/05/82/223190582.db2.gz YMSFJBYITLKDHC-HUUCEWRRSA-N 2 2 321.469 1.929 20 30 DDEDLP C=CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000625702817 367099351 /nfs/dbraw/zinc/09/93/51/367099351.db2.gz HIQUNEPZDLVZFR-INIZCTEOSA-N 2 2 317.433 1.822 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880135 304318703 /nfs/dbraw/zinc/31/87/03/304318703.db2.gz NDMFGZDNVUSOQW-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880135 304318704 /nfs/dbraw/zinc/31/87/04/304318704.db2.gz NDMFGZDNVUSOQW-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880135 304318705 /nfs/dbraw/zinc/31/87/05/304318705.db2.gz NDMFGZDNVUSOQW-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880135 304318707 /nfs/dbraw/zinc/31/87/07/304318707.db2.gz NDMFGZDNVUSOQW-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130390794 407684533 /nfs/dbraw/zinc/68/45/33/407684533.db2.gz KTTYOORORRRFMD-INIZCTEOSA-N 2 2 312.373 1.991 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130390794 407684540 /nfs/dbraw/zinc/68/45/40/407684540.db2.gz KTTYOORORRRFMD-INIZCTEOSA-N 2 2 312.373 1.991 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154743579 408078817 /nfs/dbraw/zinc/07/88/17/408078817.db2.gz CDACIIZMSSJJKX-IRXDYDNUSA-N 2 2 305.466 1.568 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154743579 408078825 /nfs/dbraw/zinc/07/88/25/408078825.db2.gz CDACIIZMSSJJKX-IRXDYDNUSA-N 2 2 305.466 1.568 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157111783 408289763 /nfs/dbraw/zinc/28/97/63/408289763.db2.gz ZZAAQXUBBYVNDB-GJZGRUSLSA-N 2 2 322.453 1.337 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157111783 408289768 /nfs/dbraw/zinc/28/97/68/408289768.db2.gz ZZAAQXUBBYVNDB-GJZGRUSLSA-N 2 2 322.453 1.337 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139897119 162131893 /nfs/dbraw/zinc/13/18/93/162131893.db2.gz MCJUKTCZCOJEMI-IKGGRYGDSA-N 2 2 312.417 1.501 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139897119 162131897 /nfs/dbraw/zinc/13/18/97/162131897.db2.gz MCJUKTCZCOJEMI-IKGGRYGDSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139897119 162131901 /nfs/dbraw/zinc/13/19/01/162131901.db2.gz MCJUKTCZCOJEMI-IKGGRYGDSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139897119 162131904 /nfs/dbraw/zinc/13/19/04/162131904.db2.gz MCJUKTCZCOJEMI-IKGGRYGDSA-N 2 2 312.417 1.501 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000292016357 408962905 /nfs/dbraw/zinc/96/29/05/408962905.db2.gz OTFLOMWYYGHWNC-MRXNPFEDSA-N 2 2 319.453 1.918 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000329441105 410299443 /nfs/dbraw/zinc/29/94/43/410299443.db2.gz BFWCRMNNFBYACD-CABCVRRESA-N 2 2 324.469 1.370 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000329441105 410299448 /nfs/dbraw/zinc/29/94/48/410299448.db2.gz BFWCRMNNFBYACD-CABCVRRESA-N 2 2 324.469 1.370 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000329441105 410299452 /nfs/dbraw/zinc/29/94/52/410299452.db2.gz BFWCRMNNFBYACD-CABCVRRESA-N 2 2 324.469 1.370 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000329441105 410299457 /nfs/dbraw/zinc/29/94/57/410299457.db2.gz BFWCRMNNFBYACD-CABCVRRESA-N 2 2 324.469 1.370 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329703638 410418115 /nfs/dbraw/zinc/41/81/15/410418115.db2.gz ILEZURLPAMPZBJ-MCIONIFRSA-N 2 2 317.437 1.740 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278559 410685907 /nfs/dbraw/zinc/68/59/07/410685907.db2.gz SVNJWGYFDAXGOL-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278559 410685911 /nfs/dbraw/zinc/68/59/11/410685911.db2.gz SVNJWGYFDAXGOL-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328599238 418605098 /nfs/dbraw/zinc/60/50/98/418605098.db2.gz BVCXYNTXRMKQHC-CQSZACIVSA-N 2 2 305.426 1.702 20 30 DDEDLP CC[N@H+]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328599238 418605100 /nfs/dbraw/zinc/60/51/00/418605100.db2.gz BVCXYNTXRMKQHC-CQSZACIVSA-N 2 2 305.426 1.702 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262069075 222271941 /nfs/dbraw/zinc/27/19/41/222271941.db2.gz SGKBEGITGXUIGJ-UHFFFAOYSA-N 2 2 319.428 1.229 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(C3CC3)no2)cc1 ZINC000267042956 222367621 /nfs/dbraw/zinc/36/76/21/222367621.db2.gz ZVHKQOWHNSSHSG-UHFFFAOYSA-N 2 2 315.377 1.846 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000377766177 418714707 /nfs/dbraw/zinc/71/47/07/418714707.db2.gz YTKGSEXFRPPLGW-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP C#CCC(CC#C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376886432 418702695 /nfs/dbraw/zinc/70/26/95/418702695.db2.gz HOOMTHQTNWLOSB-SFHVURJKSA-N 2 2 315.461 1.276 20 30 DDEDLP C#CCC(CC#C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376886432 418702699 /nfs/dbraw/zinc/70/26/99/418702699.db2.gz HOOMTHQTNWLOSB-SFHVURJKSA-N 2 2 315.461 1.276 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291865 418775652 /nfs/dbraw/zinc/77/56/52/418775652.db2.gz ACLKQGFSTASJRR-IXDOHACOSA-N 2 2 321.465 1.371 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291865 418775654 /nfs/dbraw/zinc/77/56/54/418775654.db2.gz ACLKQGFSTASJRR-IXDOHACOSA-N 2 2 321.465 1.371 20 30 DDEDLP CN(C)c1nc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc[nH+]1 ZINC000407988776 418780803 /nfs/dbraw/zinc/78/08/03/418780803.db2.gz FILNDHPOGCBQSE-ZIAGYGMSSA-N 2 2 300.410 1.357 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411162538 418875288 /nfs/dbraw/zinc/87/52/88/418875288.db2.gz GVNSSXNITTXYCI-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372528452 418880323 /nfs/dbraw/zinc/88/03/23/418880323.db2.gz ZQOOHLUMSDUHLF-XIRDDKMYSA-N 2 2 314.433 1.144 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372528452 418880324 /nfs/dbraw/zinc/88/03/24/418880324.db2.gz ZQOOHLUMSDUHLF-XIRDDKMYSA-N 2 2 314.433 1.144 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372528452 418880325 /nfs/dbraw/zinc/88/03/25/418880325.db2.gz ZQOOHLUMSDUHLF-XIRDDKMYSA-N 2 2 314.433 1.144 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372528452 418880326 /nfs/dbraw/zinc/88/03/26/418880326.db2.gz ZQOOHLUMSDUHLF-XIRDDKMYSA-N 2 2 314.433 1.144 20 30 DDEDLP C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000516922197 421577884 /nfs/dbraw/zinc/57/78/84/421577884.db2.gz OEPCQSJQRSSZCS-AEFFLSMTSA-N 2 2 316.449 1.854 20 30 DDEDLP C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000516922197 421577887 /nfs/dbraw/zinc/57/78/87/421577887.db2.gz OEPCQSJQRSSZCS-AEFFLSMTSA-N 2 2 316.449 1.854 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000569095409 421625100 /nfs/dbraw/zinc/62/51/00/421625100.db2.gz QTBLBDIQQHXYDH-MRXNPFEDSA-N 2 2 301.390 1.641 20 30 DDEDLP C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000517231813 421602513 /nfs/dbraw/zinc/60/25/13/421602513.db2.gz QMKUHNPIOPGQHY-JQHSSLGASA-N 2 2 318.465 1.474 20 30 DDEDLP C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000517231813 421602515 /nfs/dbraw/zinc/60/25/15/421602515.db2.gz QMKUHNPIOPGQHY-JQHSSLGASA-N 2 2 318.465 1.474 20 30 DDEDLP C=CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631111188 422534044 /nfs/dbraw/zinc/53/40/44/422534044.db2.gz NDUNPSWYKHWJIY-QGZVFWFLSA-N 2 2 320.433 1.424 20 30 DDEDLP C=C1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000653174187 423363669 /nfs/dbraw/zinc/36/36/69/423363669.db2.gz MVYBTPQZEBDJBO-SFHVURJKSA-N 2 2 324.428 1.980 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365239862 267053599 /nfs/dbraw/zinc/05/35/99/267053599.db2.gz GBECVJGQAHEOAX-CRAIPNDOSA-N 2 2 315.465 1.355 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244255 336397793 /nfs/dbraw/zinc/39/77/93/336397793.db2.gz BTNCWJBJYXWFJK-PBHICJAKSA-N 2 2 317.437 1.963 20 30 DDEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000339662295 534689589 /nfs/dbraw/zinc/68/95/89/534689589.db2.gz XKPRYIJKRPKZKQ-AWEZNQCLSA-N 2 2 311.389 1.449 20 30 DDEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000339662295 534689596 /nfs/dbraw/zinc/68/95/96/534689596.db2.gz XKPRYIJKRPKZKQ-AWEZNQCLSA-N 2 2 311.389 1.449 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000491782410 526810177 /nfs/dbraw/zinc/81/01/77/526810177.db2.gz MGDQJOZZRGLFKO-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000491782410 526810180 /nfs/dbraw/zinc/81/01/80/526810180.db2.gz MGDQJOZZRGLFKO-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000491782410 526810184 /nfs/dbraw/zinc/81/01/84/526810184.db2.gz MGDQJOZZRGLFKO-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000491782410 526810186 /nfs/dbraw/zinc/81/01/86/526810186.db2.gz MGDQJOZZRGLFKO-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C#C[C@H](CC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491694916 527352299 /nfs/dbraw/zinc/35/22/99/527352299.db2.gz BKMHZUJVOMIHOQ-CQSZACIVSA-N 2 2 306.454 1.256 20 30 DDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)nn1 ZINC000424295563 527374681 /nfs/dbraw/zinc/37/46/81/527374681.db2.gz MZKPYLAMHZQOIV-RDJZCZTQSA-N 2 2 321.469 1.691 20 30 DDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)nn1 ZINC000424295563 527374686 /nfs/dbraw/zinc/37/46/86/527374686.db2.gz MZKPYLAMHZQOIV-RDJZCZTQSA-N 2 2 321.469 1.691 20 30 DDEDLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330847138 527385318 /nfs/dbraw/zinc/38/53/18/527385318.db2.gz VEPHTORIRXCKBV-LLVKDONJSA-N 2 2 307.398 1.416 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278558 528853071 /nfs/dbraw/zinc/85/30/71/528853071.db2.gz SVNJWGYFDAXGOL-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278558 528853077 /nfs/dbraw/zinc/85/30/77/528853077.db2.gz SVNJWGYFDAXGOL-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972456954 695255549 /nfs/dbraw/zinc/25/55/49/695255549.db2.gz HVBADVJBSQAEEJ-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972456954 695255551 /nfs/dbraw/zinc/25/55/51/695255551.db2.gz HVBADVJBSQAEEJ-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735767 695721510 /nfs/dbraw/zinc/72/15/10/695721510.db2.gz QRPKJCXNCBQWEP-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735767 695721511 /nfs/dbraw/zinc/72/15/11/695721511.db2.gz QRPKJCXNCBQWEP-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756081 695727535 /nfs/dbraw/zinc/72/75/35/695727535.db2.gz YOGFJDQFXMLQOI-CZUORRHYSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000974756081 695727538 /nfs/dbraw/zinc/72/75/38/695727538.db2.gz YOGFJDQFXMLQOI-CZUORRHYSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756081 695727540 /nfs/dbraw/zinc/72/75/40/695727540.db2.gz YOGFJDQFXMLQOI-CZUORRHYSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000974756081 695727543 /nfs/dbraw/zinc/72/75/43/695727543.db2.gz YOGFJDQFXMLQOI-CZUORRHYSA-N 2 2 316.449 1.836 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974799821 695738307 /nfs/dbraw/zinc/73/83/07/695738307.db2.gz IZBBTIUMVQYCQY-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000974799821 695738308 /nfs/dbraw/zinc/73/83/08/695738308.db2.gz IZBBTIUMVQYCQY-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505279 696788574 /nfs/dbraw/zinc/78/85/74/696788574.db2.gz ZMOWPDYEUVTXLP-HOTGVXAUSA-N 2 2 302.422 1.403 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505279 696788577 /nfs/dbraw/zinc/78/85/77/696788577.db2.gz ZMOWPDYEUVTXLP-HOTGVXAUSA-N 2 2 302.422 1.403 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924527 696971187 /nfs/dbraw/zinc/97/11/87/696971187.db2.gz RQOFQBYQVPHHDA-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924527 696971189 /nfs/dbraw/zinc/97/11/89/696971189.db2.gz RQOFQBYQVPHHDA-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474560 697105737 /nfs/dbraw/zinc/10/57/37/697105737.db2.gz UQZCONRXJJUJHK-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474560 697105740 /nfs/dbraw/zinc/10/57/40/697105740.db2.gz UQZCONRXJJUJHK-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476983 697106570 /nfs/dbraw/zinc/10/65/70/697106570.db2.gz MSFZVMUAHPQHOG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476983 697106573 /nfs/dbraw/zinc/10/65/73/697106573.db2.gz MSFZVMUAHPQHOG-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260011 698063431 /nfs/dbraw/zinc/06/34/31/698063431.db2.gz LEYLYHRJPBTZEJ-CZUORRHYSA-N 2 2 323.400 1.603 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCC(F)(F)F)cc1 ZINC000782337966 698711193 /nfs/dbraw/zinc/71/11/93/698711193.db2.gz QUQKJJDREWPRIM-UHFFFAOYSA-N 2 2 319.327 1.964 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629093 699051100 /nfs/dbraw/zinc/05/11/00/699051100.db2.gz MIQMLLYLOOZELM-UONOGXRCSA-N 2 2 303.410 1.360 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629093 699051102 /nfs/dbraw/zinc/05/11/02/699051102.db2.gz MIQMLLYLOOZELM-UONOGXRCSA-N 2 2 303.410 1.360 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000764524100 700975331 /nfs/dbraw/zinc/97/53/31/700975331.db2.gz QTRRZJKYEUVHQT-HNNXBMFYSA-N 2 2 302.422 1.405 20 30 DDEDLP C#CCO[C@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656964 702437837 /nfs/dbraw/zinc/43/78/37/702437837.db2.gz SBTOQGKEIOMNGB-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCO[C@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656964 702437841 /nfs/dbraw/zinc/43/78/41/702437841.db2.gz SBTOQGKEIOMNGB-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000814161939 702488406 /nfs/dbraw/zinc/48/84/06/702488406.db2.gz GSCODEOXBBJXEH-WBVHZDCISA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000814161939 702488408 /nfs/dbraw/zinc/48/84/08/702488408.db2.gz GSCODEOXBBJXEH-WBVHZDCISA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000814161939 702488411 /nfs/dbraw/zinc/48/84/11/702488411.db2.gz GSCODEOXBBJXEH-WBVHZDCISA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000814161939 702488413 /nfs/dbraw/zinc/48/84/13/702488413.db2.gz GSCODEOXBBJXEH-WBVHZDCISA-N 2 2 303.450 1.417 20 30 DDEDLP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866342484 706677538 /nfs/dbraw/zinc/67/75/38/706677538.db2.gz SGUIXMVJVFQKRX-LSDHHAIUSA-N 2 2 316.449 1.940 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C#CC(C)(C)C)c2)CC1 ZINC000870664983 704098991 /nfs/dbraw/zinc/09/89/91/704098991.db2.gz GTTACIYMGLLWCG-UHFFFAOYSA-N 2 2 300.406 1.821 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865451327 706435272 /nfs/dbraw/zinc/43/52/72/706435272.db2.gz YSYARCPMOUEMEM-IRXDYDNUSA-N 2 2 314.433 1.577 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865451327 706435275 /nfs/dbraw/zinc/43/52/75/706435275.db2.gz YSYARCPMOUEMEM-IRXDYDNUSA-N 2 2 314.433 1.577 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900446175 709599043 /nfs/dbraw/zinc/59/90/43/709599043.db2.gz NYZMPQHKPUBNRO-UHFFFAOYSA-N 3 2 322.497 1.169 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903805682 711286244 /nfs/dbraw/zinc/28/62/44/711286244.db2.gz RNFGSAJPQUESDR-JZXOWHBKSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903805682 711286245 /nfs/dbraw/zinc/28/62/45/711286245.db2.gz RNFGSAJPQUESDR-JZXOWHBKSA-N 2 2 315.417 1.501 20 30 DDEDLP C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896326053 711706728 /nfs/dbraw/zinc/70/67/28/711706728.db2.gz WHGPTLFHZWFGDB-QGZVFWFLSA-N 2 2 311.429 1.566 20 30 DDEDLP C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896326053 711706729 /nfs/dbraw/zinc/70/67/29/711706729.db2.gz WHGPTLFHZWFGDB-QGZVFWFLSA-N 2 2 311.429 1.566 20 30 DDEDLP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924995650 714720599 /nfs/dbraw/zinc/72/05/99/714720599.db2.gz ZVJTUKVQGKPXSN-RHSMWYFYSA-N 2 2 316.449 1.940 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000939459949 716264717 /nfs/dbraw/zinc/26/47/17/716264717.db2.gz WVLPSDNCWKBYCX-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414788 716937769 /nfs/dbraw/zinc/93/77/69/716937769.db2.gz GIMSNWXLMCOIIP-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414788 716937772 /nfs/dbraw/zinc/93/77/72/716937772.db2.gz GIMSNWXLMCOIIP-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941022558 717076935 /nfs/dbraw/zinc/07/69/35/717076935.db2.gz QNVDBWLWFFYXPS-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941022558 717076937 /nfs/dbraw/zinc/07/69/37/717076937.db2.gz QNVDBWLWFFYXPS-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179859 717529247 /nfs/dbraw/zinc/52/92/47/717529247.db2.gz CPNHVKPAWXWDTP-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179859 717529249 /nfs/dbraw/zinc/52/92/49/717529249.db2.gz CPNHVKPAWXWDTP-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473842 719177355 /nfs/dbraw/zinc/17/73/55/719177355.db2.gz OQJJDUISGXHYCT-STQMWFEESA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473842 719177357 /nfs/dbraw/zinc/17/73/57/719177357.db2.gz OQJJDUISGXHYCT-STQMWFEESA-N 2 2 306.410 1.505 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950433394 720630412 /nfs/dbraw/zinc/63/04/12/720630412.db2.gz CWGUMWUJDACGIF-AWEZNQCLSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000951551282 721068967 /nfs/dbraw/zinc/06/89/67/721068967.db2.gz UPYZKQQABKRMIZ-OAHLLOKOSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023682517 735394947 /nfs/dbraw/zinc/39/49/47/735394947.db2.gz BUXBDHSFPZMAKH-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023682517 735394949 /nfs/dbraw/zinc/39/49/49/735394949.db2.gz BUXBDHSFPZMAKH-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696460 738559942 /nfs/dbraw/zinc/55/99/42/738559942.db2.gz OOVBDHBLBCCNNQ-SJORKVTESA-N 2 2 316.449 1.793 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696460 738559944 /nfs/dbraw/zinc/55/99/44/738559944.db2.gz OOVBDHBLBCCNNQ-SJORKVTESA-N 2 2 316.449 1.793 20 30 DDEDLP C=C(C)C[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548586 733527362 /nfs/dbraw/zinc/52/73/62/733527362.db2.gz WFKQOSSCQDTVKH-UHFFFAOYSA-N 2 2 320.437 1.122 20 30 DDEDLP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548586 733527365 /nfs/dbraw/zinc/52/73/65/733527365.db2.gz WFKQOSSCQDTVKH-UHFFFAOYSA-N 2 2 320.437 1.122 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001022852923 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1.649 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028793989 740047494 /nfs/dbraw/zinc/04/74/94/740047494.db2.gz PASFLFIARMSTCA-UONOGXRCSA-N 2 2 302.422 1.844 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028793989 740047500 /nfs/dbraw/zinc/04/75/00/740047500.db2.gz PASFLFIARMSTCA-UONOGXRCSA-N 2 2 302.422 1.844 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628957 740682621 /nfs/dbraw/zinc/68/26/21/740682621.db2.gz VDIDECNIWNQZEY-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628957 740682622 /nfs/dbraw/zinc/68/26/22/740682622.db2.gz VDIDECNIWNQZEY-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170941 741092190 /nfs/dbraw/zinc/09/21/90/741092190.db2.gz OYTAJBBOGRQTOI-CABCVRRESA-N 2 2 314.433 1.491 20 30 DDEDLP 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/nfs/dbraw/zinc/05/59/82/744055982.db2.gz KZZHMIBQNGJQOW-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184534350 744055983 /nfs/dbraw/zinc/05/59/83/744055983.db2.gz KZZHMIBQNGJQOW-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586502 744253874 /nfs/dbraw/zinc/25/38/74/744253874.db2.gz PMGYKSGFQOKAKV-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185787590 744285933 /nfs/dbraw/zinc/28/59/33/744285933.db2.gz GTOLJAGABVOYLM-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992445090 744878996 /nfs/dbraw/zinc/87/89/96/744878996.db2.gz JUCGVKGRCIPGLX-DOTOQJQBSA-N 2 2 300.406 1.397 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992445090 744879000 /nfs/dbraw/zinc/87/90/00/744879000.db2.gz JUCGVKGRCIPGLX-DOTOQJQBSA-N 2 2 300.406 1.397 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000992756505 745180266 /nfs/dbraw/zinc/18/02/66/745180266.db2.gz NVBFWRXTAOAQFC-OWCLPIDISA-N 2 2 314.433 1.203 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992924012 745294146 /nfs/dbraw/zinc/29/41/46/745294146.db2.gz KIJWQXQIEPWPBA-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191534089 745536255 /nfs/dbraw/zinc/53/62/55/745536255.db2.gz YIFFYVTWVMPJMG-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191534089 745536259 /nfs/dbraw/zinc/53/62/59/745536259.db2.gz YIFFYVTWVMPJMG-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191534089 745536263 /nfs/dbraw/zinc/53/62/63/745536263.db2.gz YIFFYVTWVMPJMG-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191534089 745536265 /nfs/dbraw/zinc/53/62/65/745536265.db2.gz YIFFYVTWVMPJMG-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342886 745615968 /nfs/dbraw/zinc/61/59/68/745615968.db2.gz HPVOMKJBLPPWGD-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461768 745720913 /nfs/dbraw/zinc/72/09/13/745720913.db2.gz MRAVJRCYWOSSIK-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550250 745812906 /nfs/dbraw/zinc/81/29/06/745812906.db2.gz FXAILBHCRRCMKL-SFHVURJKSA-N 2 2 322.412 1.537 20 30 DDEDLP C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550250 745812908 /nfs/dbraw/zinc/81/29/08/745812908.db2.gz FXAILBHCRRCMKL-SFHVURJKSA-N 2 2 322.412 1.537 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153043 746292654 /nfs/dbraw/zinc/29/26/54/746292654.db2.gz ATORUISIINUYFP-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153043 746292657 /nfs/dbraw/zinc/29/26/57/746292657.db2.gz ATORUISIINUYFP-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993904967 746383250 /nfs/dbraw/zinc/38/32/50/746383250.db2.gz OGLIXEDFGPOCDI-HUUCEWRRSA-N 2 2 302.422 1.609 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993904967 746383255 /nfs/dbraw/zinc/38/32/55/746383255.db2.gz OGLIXEDFGPOCDI-HUUCEWRRSA-N 2 2 302.422 1.609 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031580205 747097164 /nfs/dbraw/zinc/09/71/64/747097164.db2.gz QMXHSYNGQJGYKR-SFHVURJKSA-N 2 2 311.429 1.180 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031580205 747097173 /nfs/dbraw/zinc/09/71/73/747097173.db2.gz QMXHSYNGQJGYKR-SFHVURJKSA-N 2 2 311.429 1.180 20 30 DDEDLP 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YIJNXNIMIUQGMK-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876838 750014591 /nfs/dbraw/zinc/01/45/91/750014591.db2.gz YIJNXNIMIUQGMK-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960097 750176871 /nfs/dbraw/zinc/17/68/71/750176871.db2.gz YABHMFLFOODNKU-HOTGVXAUSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960097 750176877 /nfs/dbraw/zinc/17/68/77/750176877.db2.gz YABHMFLFOODNKU-HOTGVXAUSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005604499 750693984 /nfs/dbraw/zinc/69/39/84/750693984.db2.gz BCCYLNVDCVREKA-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005618088 750708217 /nfs/dbraw/zinc/70/82/17/750708217.db2.gz OOEDOUZWPADSPX-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160605 750898307 /nfs/dbraw/zinc/89/83/07/750898307.db2.gz POLRBGXDJSNIIJ-YQQAZPJKSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160605 750898315 /nfs/dbraw/zinc/89/83/15/750898315.db2.gz POLRBGXDJSNIIJ-YQQAZPJKSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160605 750898321 /nfs/dbraw/zinc/89/83/21/750898321.db2.gz POLRBGXDJSNIIJ-YQQAZPJKSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160605 750898331 /nfs/dbraw/zinc/89/83/31/750898331.db2.gz POLRBGXDJSNIIJ-YQQAZPJKSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001000679808 762082734 /nfs/dbraw/zinc/08/27/34/762082734.db2.gz ILLCJVRMDNCINV-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114817536 751122105 /nfs/dbraw/zinc/12/21/05/751122105.db2.gz XSQIIEYRJJLIRE-NYTXWWLZSA-N 2 2 314.433 1.842 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001114817536 751122108 /nfs/dbraw/zinc/12/21/08/751122108.db2.gz XSQIIEYRJJLIRE-NYTXWWLZSA-N 2 2 314.433 1.842 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999286886 752787011 /nfs/dbraw/zinc/78/70/11/752787011.db2.gz FJRJJTPMGSHFMJ-BDVYOWHSSA-N 2 2 321.465 1.395 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999286886 752787015 /nfs/dbraw/zinc/78/70/15/752787015.db2.gz FJRJJTPMGSHFMJ-BDVYOWHSSA-N 2 2 321.465 1.395 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079982578 755679614 /nfs/dbraw/zinc/67/96/14/755679614.db2.gz UMCRULNSWLCZEX-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079982578 755679618 /nfs/dbraw/zinc/67/96/18/755679618.db2.gz UMCRULNSWLCZEX-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080209924 755765452 /nfs/dbraw/zinc/76/54/52/755765452.db2.gz JOMNVEFRYFMFRS-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080209924 755765457 /nfs/dbraw/zinc/76/54/57/755765457.db2.gz JOMNVEFRYFMFRS-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001001004624 762460197 /nfs/dbraw/zinc/46/01/97/762460197.db2.gz IZPFFUKRJUIGFS-IAGOWNOFSA-N 2 2 316.449 1.841 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001016393938 756989283 /nfs/dbraw/zinc/98/92/83/756989283.db2.gz HQIANTJUTYWQHW-MRXNPFEDSA-N 2 2 309.373 1.145 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001016393938 756989297 /nfs/dbraw/zinc/98/92/97/756989297.db2.gz HQIANTJUTYWQHW-MRXNPFEDSA-N 2 2 309.373 1.145 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555972 757243069 /nfs/dbraw/zinc/24/30/69/757243069.db2.gz DSGNJEMNPZAPST-UNEWFSDZSA-N 2 2 314.433 1.669 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555972 757243073 /nfs/dbraw/zinc/24/30/73/757243073.db2.gz DSGNJEMNPZAPST-UNEWFSDZSA-N 2 2 314.433 1.669 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461628 757577617 /nfs/dbraw/zinc/57/76/17/757577617.db2.gz KLMWVUVTVLNWBE-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461628 757577625 /nfs/dbraw/zinc/57/76/25/757577625.db2.gz KLMWVUVTVLNWBE-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863931 757896626 /nfs/dbraw/zinc/89/66/26/757896626.db2.gz WQNOQZWQXJMPJM-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863931 757896631 /nfs/dbraw/zinc/89/66/31/757896631.db2.gz WQNOQZWQXJMPJM-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052870673 757906039 /nfs/dbraw/zinc/90/60/39/757906039.db2.gz WTQSZKLDFVEPPF-ZDUSSCGKSA-N 2 2 310.829 1.686 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052870673 757906053 /nfs/dbraw/zinc/90/60/53/757906053.db2.gz WTQSZKLDFVEPPF-ZDUSSCGKSA-N 2 2 310.829 1.686 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017619002 758087146 /nfs/dbraw/zinc/08/71/46/758087146.db2.gz YADWTUDPOSXJAX-ZACQAIPSSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017619002 758087159 /nfs/dbraw/zinc/08/71/59/758087159.db2.gz YADWTUDPOSXJAX-ZACQAIPSSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017619002 758087176 /nfs/dbraw/zinc/08/71/76/758087176.db2.gz YADWTUDPOSXJAX-ZACQAIPSSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017619002 758087190 /nfs/dbraw/zinc/08/71/90/758087190.db2.gz YADWTUDPOSXJAX-ZACQAIPSSA-N 2 2 303.450 1.558 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085052891 758180655 /nfs/dbraw/zinc/18/06/55/758180655.db2.gz QTQKBISOJOIPNW-FMKPAKJESA-N 2 2 302.422 1.697 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085052891 758180659 /nfs/dbraw/zinc/18/06/59/758180659.db2.gz QTQKBISOJOIPNW-FMKPAKJESA-N 2 2 302.422 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085052891 758180662 /nfs/dbraw/zinc/18/06/62/758180662.db2.gz QTQKBISOJOIPNW-FMKPAKJESA-N 2 2 302.422 1.697 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085052891 758180667 /nfs/dbraw/zinc/18/06/67/758180667.db2.gz QTQKBISOJOIPNW-FMKPAKJESA-N 2 2 302.422 1.697 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857252 758301899 /nfs/dbraw/zinc/30/18/99/758301899.db2.gz JKQSIALRCZKZSM-IYBDPMFKSA-N 2 2 315.417 1.653 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857252 758301909 /nfs/dbraw/zinc/30/19/09/758301909.db2.gz JKQSIALRCZKZSM-IYBDPMFKSA-N 2 2 315.417 1.653 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054204971 759291410 /nfs/dbraw/zinc/29/14/10/759291410.db2.gz HJWJUEWIIJIZFD-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054204971 759291415 /nfs/dbraw/zinc/29/14/15/759291415.db2.gz HJWJUEWIIJIZFD-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639273 759910911 /nfs/dbraw/zinc/91/09/11/759910911.db2.gz LWBNNWFDAFOSNH-CABCVRRESA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639273 759910918 /nfs/dbraw/zinc/91/09/18/759910918.db2.gz LWBNNWFDAFOSNH-CABCVRRESA-N 2 2 300.406 1.317 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682064 760000841 /nfs/dbraw/zinc/00/08/41/760000841.db2.gz MHQLXGHZNLBASO-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682064 760000852 /nfs/dbraw/zinc/00/08/52/760000852.db2.gz MHQLXGHZNLBASO-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739444 760136785 /nfs/dbraw/zinc/13/67/85/760136785.db2.gz NOLJQZBAKVRPRS-QGZVFWFLSA-N 2 2 313.445 1.570 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739444 760136789 /nfs/dbraw/zinc/13/67/89/760136789.db2.gz NOLJQZBAKVRPRS-QGZVFWFLSA-N 2 2 313.445 1.570 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038501345 761160768 /nfs/dbraw/zinc/16/07/68/761160768.db2.gz HQLXPJLOOSUPDJ-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038501345 761160773 /nfs/dbraw/zinc/16/07/73/761160773.db2.gz HQLXPJLOOSUPDJ-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000109722 761515163 /nfs/dbraw/zinc/51/51/63/761515163.db2.gz XIUUFYLIPMWQFC-MRXNPFEDSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000109722 761515165 /nfs/dbraw/zinc/51/51/65/761515165.db2.gz XIUUFYLIPMWQFC-MRXNPFEDSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](F)CC)CC1 ZINC001039042024 761681804 /nfs/dbraw/zinc/68/18/04/761681804.db2.gz LFDSNJPVSWTJDJ-HOTGVXAUSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001039042024 761681811 /nfs/dbraw/zinc/68/18/11/761681811.db2.gz LFDSNJPVSWTJDJ-HOTGVXAUSA-N 2 2 309.429 1.270 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699611 762868193 /nfs/dbraw/zinc/86/81/93/762868193.db2.gz HIVRZCIVRGPTJU-IMJJTQAJSA-N 2 2 300.406 1.335 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699611 762868199 /nfs/dbraw/zinc/86/81/99/762868199.db2.gz HIVRZCIVRGPTJU-IMJJTQAJSA-N 2 2 300.406 1.335 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001050080919 763105686 /nfs/dbraw/zinc/10/56/86/763105686.db2.gz NCNMYYOJWGMTSJ-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001050080919 763105690 /nfs/dbraw/zinc/10/56/90/763105690.db2.gz NCNMYYOJWGMTSJ-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733147 763267840 /nfs/dbraw/zinc/26/78/40/763267840.db2.gz OQMGKYVFQUAMMX-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733147 763267842 /nfs/dbraw/zinc/26/78/42/763267842.db2.gz OQMGKYVFQUAMMX-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733147 763267847 /nfs/dbraw/zinc/26/78/47/763267847.db2.gz OQMGKYVFQUAMMX-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733147 763267849 /nfs/dbraw/zinc/26/78/49/763267849.db2.gz OQMGKYVFQUAMMX-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001050191138 763294119 /nfs/dbraw/zinc/29/41/19/763294119.db2.gz HSZRWWCWSIBNDV-GOEBONIOSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001050191138 763294127 /nfs/dbraw/zinc/29/41/27/763294127.db2.gz HSZRWWCWSIBNDV-GOEBONIOSA-N 2 2 300.406 1.207 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042175737 763740653 /nfs/dbraw/zinc/74/06/53/763740653.db2.gz FDLIZQDMNOLLOR-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042175737 763740657 /nfs/dbraw/zinc/74/06/57/763740657.db2.gz FDLIZQDMNOLLOR-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050685123 763918720 /nfs/dbraw/zinc/91/87/20/763918720.db2.gz YXAVIBLYDHUVHD-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354708 763956525 /nfs/dbraw/zinc/95/65/25/763956525.db2.gz CMDCZGXZEDHYRJ-LSDHHAIUSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042354708 763956530 /nfs/dbraw/zinc/95/65/30/763956530.db2.gz CMDCZGXZEDHYRJ-LSDHHAIUSA-N 2 2 311.857 1.758 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430726 767553423 /nfs/dbraw/zinc/55/34/23/767553423.db2.gz DEZAROQCWFFVJO-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046430726 767553431 /nfs/dbraw/zinc/55/34/31/767553431.db2.gz DEZAROQCWFFVJO-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432440 767555671 /nfs/dbraw/zinc/55/56/71/767555671.db2.gz LZHHCXSHFUWGAD-MRXNPFEDSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432440 767555674 /nfs/dbraw/zinc/55/56/74/767555674.db2.gz LZHHCXSHFUWGAD-MRXNPFEDSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513395 767643047 /nfs/dbraw/zinc/64/30/47/767643047.db2.gz WGMRQQDLHMABGL-GOSISDBHSA-N 2 2 308.385 1.700 20 30 DDEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513395 767643052 /nfs/dbraw/zinc/64/30/52/767643052.db2.gz WGMRQQDLHMABGL-GOSISDBHSA-N 2 2 308.385 1.700 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047429245 768470701 /nfs/dbraw/zinc/47/07/01/768470701.db2.gz QDSYNLJCKVRWGH-HOTGVXAUSA-N 2 2 314.389 1.256 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047429245 768470707 /nfs/dbraw/zinc/47/07/07/768470707.db2.gz QDSYNLJCKVRWGH-HOTGVXAUSA-N 2 2 314.389 1.256 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782892 769190548 /nfs/dbraw/zinc/19/05/48/769190548.db2.gz VJFYPSATRQMKPD-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133242716 769621516 /nfs/dbraw/zinc/62/15/16/769621516.db2.gz XNCTVVATFPUQSI-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048905678 770091098 /nfs/dbraw/zinc/09/10/98/770091098.db2.gz DNOCGJWXSXPXPG-SOUVJXGZSA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048905678 770091111 /nfs/dbraw/zinc/09/11/11/770091111.db2.gz DNOCGJWXSXPXPG-SOUVJXGZSA-N 2 2 300.406 1.022 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848082 771205097 /nfs/dbraw/zinc/20/50/97/771205097.db2.gz HSEGGCOECHMXDP-CVEARBPZSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848082 771205098 /nfs/dbraw/zinc/20/50/98/771205098.db2.gz HSEGGCOECHMXDP-CVEARBPZSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848714 771205233 /nfs/dbraw/zinc/20/52/33/771205233.db2.gz LGIXYJWYULHFQQ-JKSUJKDBSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049848714 771205238 /nfs/dbraw/zinc/20/52/38/771205238.db2.gz LGIXYJWYULHFQQ-JKSUJKDBSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]c2c(c1)CCCN2 ZINC001171074583 772241446 /nfs/dbraw/zinc/24/14/46/772241446.db2.gz BYTCSCQJXBPFMH-HNNXBMFYSA-N 2 2 318.421 1.366 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945573 773733932 /nfs/dbraw/zinc/73/39/32/773733932.db2.gz FCXAHTBEGCWYOH-AWEZNQCLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798155 773809487 /nfs/dbraw/zinc/80/94/87/773809487.db2.gz LIZHYFRYAYKAJJ-DAYGRLMNSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798155 773809490 /nfs/dbraw/zinc/80/94/90/773809490.db2.gz LIZHYFRYAYKAJJ-DAYGRLMNSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148298 774082092 /nfs/dbraw/zinc/08/20/92/774082092.db2.gz DXZVYKQKLBMDHZ-INMHGKMJSA-N 2 2 323.400 1.788 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148298 774082102 /nfs/dbraw/zinc/08/21/02/774082102.db2.gz DXZVYKQKLBMDHZ-INMHGKMJSA-N 2 2 323.400 1.788 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747953 774247924 /nfs/dbraw/zinc/24/79/24/774247924.db2.gz KHTWUIYIIFYJDR-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747953 774247927 /nfs/dbraw/zinc/24/79/27/774247927.db2.gz KHTWUIYIIFYJDR-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092957976 774325572 /nfs/dbraw/zinc/32/55/72/774325572.db2.gz GVTATXXATGIIHU-MCIONIFRSA-N 2 2 300.406 1.147 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001092957976 774325579 /nfs/dbraw/zinc/32/55/79/774325579.db2.gz GVTATXXATGIIHU-MCIONIFRSA-N 2 2 300.406 1.147 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157908 774868872 /nfs/dbraw/zinc/86/88/72/774868872.db2.gz BELMASWEFTUXAZ-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157908 774868883 /nfs/dbraw/zinc/86/88/83/774868883.db2.gz BELMASWEFTUXAZ-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882002 775947828 /nfs/dbraw/zinc/94/78/28/775947828.db2.gz FDJUMBCRYRZCQP-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882002 775947842 /nfs/dbraw/zinc/94/78/42/775947842.db2.gz FDJUMBCRYRZCQP-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101591894 777283578 /nfs/dbraw/zinc/28/35/78/777283578.db2.gz BIVHENMPMJXLQT-UHFFFAOYSA-N 2 2 316.449 1.748 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456265 778150671 /nfs/dbraw/zinc/15/06/71/778150671.db2.gz RZDONKIGAMWMQU-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102456265 778150675 /nfs/dbraw/zinc/15/06/75/778150675.db2.gz RZDONKIGAMWMQU-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456265 778150681 /nfs/dbraw/zinc/15/06/81/778150681.db2.gz RZDONKIGAMWMQU-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102456265 778150683 /nfs/dbraw/zinc/15/06/83/778150683.db2.gz RZDONKIGAMWMQU-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176774758 778233241 /nfs/dbraw/zinc/23/32/41/778233241.db2.gz HPNYTLOZXJUUMP-NVXWUHKLSA-N 2 2 316.449 1.582 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829630 778262050 /nfs/dbraw/zinc/26/20/50/778262050.db2.gz OZSSLCQVXAINKP-HNNXBMFYSA-N 2 2 308.426 1.350 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926527 778492030 /nfs/dbraw/zinc/49/20/30/778492030.db2.gz HEMRWDMYJXBLTA-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926527 778492033 /nfs/dbraw/zinc/49/20/33/778492033.db2.gz HEMRWDMYJXBLTA-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177340052 778546510 /nfs/dbraw/zinc/54/65/10/778546510.db2.gz YQSWPOORHRRFGC-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177340052 778546514 /nfs/dbraw/zinc/54/65/14/778546514.db2.gz YQSWPOORHRRFGC-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492151 778618874 /nfs/dbraw/zinc/61/88/74/778618874.db2.gz AQSVBCPOCSAAKD-UHFFFAOYSA-N 2 2 316.449 1.905 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103105568 778642178 /nfs/dbraw/zinc/64/21/78/778642178.db2.gz XJGWDRKEKQLOGG-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103105568 778642184 /nfs/dbraw/zinc/64/21/84/778642184.db2.gz XJGWDRKEKQLOGG-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103105568 778642187 /nfs/dbraw/zinc/64/21/87/778642187.db2.gz XJGWDRKEKQLOGG-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103105568 778642189 /nfs/dbraw/zinc/64/21/89/778642189.db2.gz XJGWDRKEKQLOGG-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687955 778995922 /nfs/dbraw/zinc/99/59/22/778995922.db2.gz BQVJOKDLFHFUET-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687955 778995928 /nfs/dbraw/zinc/99/59/28/778995928.db2.gz BQVJOKDLFHFUET-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001179022613 779249942 /nfs/dbraw/zinc/24/99/42/779249942.db2.gz PNZOFZHBMPTTDF-CFVMTHIKSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001179022613 779249946 /nfs/dbraw/zinc/24/99/46/779249946.db2.gz PNZOFZHBMPTTDF-CFVMTHIKSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899296 779546394 /nfs/dbraw/zinc/54/63/94/779546394.db2.gz JZIFZWXISQWOQR-KEYYUXOJSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899296 779546397 /nfs/dbraw/zinc/54/63/97/779546397.db2.gz JZIFZWXISQWOQR-KEYYUXOJSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899296 779546403 /nfs/dbraw/zinc/54/64/03/779546403.db2.gz JZIFZWXISQWOQR-KEYYUXOJSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899296 779546407 /nfs/dbraw/zinc/54/64/07/779546407.db2.gz JZIFZWXISQWOQR-KEYYUXOJSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCOCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470806 779793684 /nfs/dbraw/zinc/79/36/84/779793684.db2.gz VUQZMUBQZUKBHF-UHFFFAOYSA-N 2 2 308.426 1.352 20 30 DDEDLP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267141604 837410624 /nfs/dbraw/zinc/41/06/24/837410624.db2.gz FZYYPGSJKWFNJB-HOCLYGCPSA-N 2 2 309.454 1.300 20 30 DDEDLP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267141604 837410629 /nfs/dbraw/zinc/41/06/29/837410629.db2.gz FZYYPGSJKWFNJB-HOCLYGCPSA-N 2 2 309.454 1.300 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001266252121 835990294 /nfs/dbraw/zinc/99/02/94/835990294.db2.gz NGODFUHMYVJKRP-QGZVFWFLSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001266252121 835990305 /nfs/dbraw/zinc/99/03/05/835990305.db2.gz NGODFUHMYVJKRP-QGZVFWFLSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001266252121 835990313 /nfs/dbraw/zinc/99/03/13/835990313.db2.gz NGODFUHMYVJKRP-QGZVFWFLSA-N 2 2 301.434 1.885 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001266252121 835990324 /nfs/dbraw/zinc/99/03/24/835990324.db2.gz NGODFUHMYVJKRP-QGZVFWFLSA-N 2 2 301.434 1.885 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266859871 836951931 /nfs/dbraw/zinc/95/19/31/836951931.db2.gz RFAZZAJQIJSZSN-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266859871 836951936 /nfs/dbraw/zinc/95/19/36/836951936.db2.gz RFAZZAJQIJSZSN-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790654 838984944 /nfs/dbraw/zinc/98/49/44/838984944.db2.gz OVWKWSKGBUURPA-GDBMZVCRSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790654 838984951 /nfs/dbraw/zinc/98/49/51/838984951.db2.gz OVWKWSKGBUURPA-GDBMZVCRSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790654 838984958 /nfs/dbraw/zinc/98/49/58/838984958.db2.gz OVWKWSKGBUURPA-GDBMZVCRSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790654 838984968 /nfs/dbraw/zinc/98/49/68/838984968.db2.gz OVWKWSKGBUURPA-GDBMZVCRSA-N 2 2 302.422 1.534 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001268134505 839735736 /nfs/dbraw/zinc/73/57/36/839735736.db2.gz YEEBLQIXERCUHD-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP CCN(CC[NH2+]CC#CCOC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268461996 840237712 /nfs/dbraw/zinc/23/77/12/840237712.db2.gz NWGXSXLGFDDGDJ-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001269626753 841870114 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1.040 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553918 858434755 /nfs/dbraw/zinc/43/47/55/858434755.db2.gz CGWZBFQINMSHJB-KBPBESRZSA-N 2 2 315.845 1.040 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922709 860960527 /nfs/dbraw/zinc/96/05/27/860960527.db2.gz UDYVEIADENSLSE-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001325922709 860960538 /nfs/dbraw/zinc/96/05/38/860960538.db2.gz UDYVEIADENSLSE-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001329935831 863956511 /nfs/dbraw/zinc/95/65/11/863956511.db2.gz FVHAQHASQUAJOS-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001329935831 863956522 /nfs/dbraw/zinc/95/65/22/863956522.db2.gz FVHAQHASQUAJOS-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001325594675 868164841 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1.431 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213781624 876055274 /nfs/dbraw/zinc/05/52/74/876055274.db2.gz SZYYAWGBEZWMQX-DAXOMENPSA-N 2 2 320.437 1.431 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859190 877085311 /nfs/dbraw/zinc/08/53/11/877085311.db2.gz LXJBYSSYVSSSHJ-DJIMGWMZSA-N 2 2 314.433 1.144 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001356074622 878856512 /nfs/dbraw/zinc/85/65/12/878856512.db2.gz IUWMQNKDBBGXEM-CABCVRRESA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001356074622 878856521 /nfs/dbraw/zinc/85/65/21/878856521.db2.gz IUWMQNKDBBGXEM-CABCVRRESA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001356074622 878856528 /nfs/dbraw/zinc/85/65/28/878856528.db2.gz IUWMQNKDBBGXEM-CABCVRRESA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001356074622 878856534 /nfs/dbraw/zinc/85/65/34/878856534.db2.gz IUWMQNKDBBGXEM-CABCVRRESA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001356149003 878889749 /nfs/dbraw/zinc/88/97/49/878889749.db2.gz VDAQZWXLACFLBG-UHFFFAOYSA-N 2 2 318.469 1.590 20 30 DDEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001356149003 878889765 /nfs/dbraw/zinc/88/97/65/878889765.db2.gz VDAQZWXLACFLBG-UHFFFAOYSA-N 2 2 318.469 1.590 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001220380992 878966306 /nfs/dbraw/zinc/96/63/06/878966306.db2.gz FPMQAMUTVUAKMN-MSOLQXFVSA-N 2 2 311.429 1.358 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001220380992 878966312 /nfs/dbraw/zinc/96/63/12/878966312.db2.gz FPMQAMUTVUAKMN-MSOLQXFVSA-N 2 2 311.429 1.358 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230170734 884359259 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C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252464102 895176016 /nfs/dbraw/zinc/17/60/16/895176016.db2.gz UFVDHTYJWVSUQS-JZXOWHBKSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252464102 895176021 /nfs/dbraw/zinc/17/60/21/895176021.db2.gz UFVDHTYJWVSUQS-JZXOWHBKSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252464102 895176029 /nfs/dbraw/zinc/17/60/29/895176029.db2.gz UFVDHTYJWVSUQS-JZXOWHBKSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252464102 895176037 /nfs/dbraw/zinc/17/60/37/895176037.db2.gz UFVDHTYJWVSUQS-JZXOWHBKSA-N 2 2 317.433 1.009 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265617919 902209155 /nfs/dbraw/zinc/20/91/55/902209155.db2.gz STQQQGAZWXQUGA-HNNXBMFYSA-N 2 2 310.401 1.799 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265979389 902696824 /nfs/dbraw/zinc/69/68/24/902696824.db2.gz KXIXUQFHEYDPEZ-HNNXBMFYSA-N 2 2 316.449 1.776 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266103070 902945452 /nfs/dbraw/zinc/94/54/52/902945452.db2.gz OMAHDPNFMNPOOH-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266103070 902945461 /nfs/dbraw/zinc/94/54/61/902945461.db2.gz OMAHDPNFMNPOOH-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001279223001 903195045 /nfs/dbraw/zinc/19/50/45/903195045.db2.gz XHVOJLDWGMMPMU-ACHSLPGTSA-N 2 2 314.433 1.725 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001279223001 903195054 /nfs/dbraw/zinc/19/50/54/903195054.db2.gz XHVOJLDWGMMPMU-ACHSLPGTSA-N 2 2 314.433 1.725 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001279223001 903195061 /nfs/dbraw/zinc/19/50/61/903195061.db2.gz XHVOJLDWGMMPMU-ACHSLPGTSA-N 2 2 314.433 1.725 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001279223001 903195065 /nfs/dbraw/zinc/19/50/65/903195065.db2.gz XHVOJLDWGMMPMU-ACHSLPGTSA-N 2 2 314.433 1.725 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001282615488 905903242 /nfs/dbraw/zinc/90/32/42/905903242.db2.gz NAFDYFNSRQEHPY-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001284603452 909239544 /nfs/dbraw/zinc/23/95/44/909239544.db2.gz IJNGCHZNTFIROL-CABCVRRESA-N 2 2 316.449 1.589 20 30 DDEDLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000329124447 539301365 /nfs/dbraw/zinc/30/13/65/539301365.db2.gz SHJYCDWDNVKKFE-CAOSSQGBSA-N 2 2 324.469 1.226 20 30 DDEDLP C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000329124447 539301366 /nfs/dbraw/zinc/30/13/66/539301366.db2.gz SHJYCDWDNVKKFE-CAOSSQGBSA-N 2 2 324.469 1.226 20 30 DDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000337278210 529886561 /nfs/dbraw/zinc/88/65/61/529886561.db2.gz SLIFSDGTVYWCLM-UHFFFAOYSA-N 2 2 306.454 1.747 20 30 DDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000337278210 529886562 /nfs/dbraw/zinc/88/65/62/529886562.db2.gz SLIFSDGTVYWCLM-UHFFFAOYSA-N 2 2 306.454 1.747 20 30 DDEDLP COC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000272628292 210029904 /nfs/dbraw/zinc/02/99/04/210029904.db2.gz AFMMWYWMEJRCOR-GOSISDBHSA-N 2 2 317.433 1.774 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC)c2ccncc2)CC1 ZINC000092224019 353848189 /nfs/dbraw/zinc/84/81/89/353848189.db2.gz HYCAOKRKSYWWMS-KRWDZBQOSA-N 2 2 314.433 1.242 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC)c2ccncc2)CC1 ZINC000092224019 353848192 /nfs/dbraw/zinc/84/81/92/353848192.db2.gz HYCAOKRKSYWWMS-KRWDZBQOSA-N 2 2 314.433 1.242 20 30 DDEDLP C[NH+](C)CCOc1cnccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000591767304 355381218 /nfs/dbraw/zinc/38/12/18/355381218.db2.gz HLSIKPGPBANNJZ-AWEZNQCLSA-N 2 2 301.394 1.555 20 30 DDEDLP N#Cc1cccc(C2([NH2+]C[C@H]3C[NH2+]CCO3)CCOCC2)c1 ZINC000595909351 356701575 /nfs/dbraw/zinc/70/15/75/356701575.db2.gz LSQNWSSIVXVREF-MRXNPFEDSA-N 2 2 301.390 1.142 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000597250720 357110407 /nfs/dbraw/zinc/11/04/07/357110407.db2.gz ZPJIPCJGBIQTGM-UHFFFAOYSA-N 2 2 321.388 1.262 20 30 DDEDLP N#Cc1ccccc1OCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474164 357949830 /nfs/dbraw/zinc/94/98/30/357949830.db2.gz JRXABTJWHPYSCB-UHFFFAOYSA-N 2 2 315.417 1.734 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000600713171 358291383 /nfs/dbraw/zinc/29/13/83/358291383.db2.gz GSFOPWWUMNFIJY-OAHLLOKOSA-N 2 2 300.362 1.174 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[N@@H+]1C1CC1 ZINC000600732178 358300397 /nfs/dbraw/zinc/30/03/97/358300397.db2.gz XVOFOXHJKGVXNX-IJEWVQPXSA-N 2 2 307.438 1.273 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[N@H+]1C1CC1 ZINC000600732178 358300402 /nfs/dbraw/zinc/30/04/02/358300402.db2.gz XVOFOXHJKGVXNX-IJEWVQPXSA-N 2 2 307.438 1.273 20 30 DDEDLP C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602866106 359250214 /nfs/dbraw/zinc/25/02/14/359250214.db2.gz YOAHISBCMIEGLY-CQSZACIVSA-N 2 2 316.405 1.349 20 30 DDEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910615 359701751 /nfs/dbraw/zinc/70/17/51/359701751.db2.gz VMUNTEPTVUJDSQ-WCFLWFBJSA-N 2 2 318.808 1.690 20 30 DDEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910615 359701753 /nfs/dbraw/zinc/70/17/53/359701753.db2.gz VMUNTEPTVUJDSQ-WCFLWFBJSA-N 2 2 318.808 1.690 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623938 360778099 /nfs/dbraw/zinc/77/80/99/360778099.db2.gz KULYPCAVERJPTD-CYBMUJFWSA-N 2 2 307.442 1.004 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623938 360778105 /nfs/dbraw/zinc/77/81/05/360778105.db2.gz KULYPCAVERJPTD-CYBMUJFWSA-N 2 2 307.442 1.004 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330268648 223097465 /nfs/dbraw/zinc/09/74/65/223097465.db2.gz IUCYXAHUSVJPDF-ZDUSSCGKSA-N 2 2 314.393 1.646 20 30 DDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000077249246 406981704 /nfs/dbraw/zinc/98/17/04/406981704.db2.gz JFTIMQJAGVIULU-UHFFFAOYSA-N 2 2 305.426 1.058 20 30 DDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000077249246 406981706 /nfs/dbraw/zinc/98/17/06/406981706.db2.gz JFTIMQJAGVIULU-UHFFFAOYSA-N 2 2 305.426 1.058 20 30 DDEDLP C=CCNC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390628 407941339 /nfs/dbraw/zinc/94/13/39/407941339.db2.gz HNZCXDDSVOYGKO-UHFFFAOYSA-N 2 2 316.449 1.922 20 30 DDEDLP C=CCNC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390628 407941345 /nfs/dbraw/zinc/94/13/45/407941345.db2.gz HNZCXDDSVOYGKO-UHFFFAOYSA-N 2 2 316.449 1.922 20 30 DDEDLP C(#CC[N@@H+]1CC[C@@H](n2cccn2)C1)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000292001035 408960190 /nfs/dbraw/zinc/96/01/90/408960190.db2.gz XIJUFJARIQXDCE-HDICACEKSA-N 2 2 324.432 1.277 20 30 DDEDLP C(#CC[N@H+]1CC[C@@H](n2cccn2)C1)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000292001035 408960193 /nfs/dbraw/zinc/96/01/93/408960193.db2.gz XIJUFJARIQXDCE-HDICACEKSA-N 2 2 324.432 1.277 20 30 DDEDLP C(#CC[N@@H+]1CC[C@H](n2cccn2)C1)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000292001035 408960197 /nfs/dbraw/zinc/96/01/97/408960197.db2.gz XIJUFJARIQXDCE-HDICACEKSA-N 2 2 324.432 1.277 20 30 DDEDLP N#Cc1ncn(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000353963858 409580956 /nfs/dbraw/zinc/58/09/56/409580956.db2.gz YLHAQKVWKZDUQT-INIZCTEOSA-N 2 2 310.405 1.404 20 30 DDEDLP N#Cc1ncn(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000353963858 409580961 /nfs/dbraw/zinc/58/09/61/409580961.db2.gz YLHAQKVWKZDUQT-INIZCTEOSA-N 2 2 310.405 1.404 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N2CCC(C#N)([NH+](C)C)CC2)CCC1 ZINC000332462943 410175502 /nfs/dbraw/zinc/17/55/02/410175502.db2.gz KRCNXGZJWZEDII-UHFFFAOYSA-N 2 2 307.442 1.100 20 30 DDEDLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329329618 410236751 /nfs/dbraw/zinc/23/67/51/410236751.db2.gz YPEIQNWPVXUCIX-AWEZNQCLSA-N 2 2 315.421 1.354 20 30 DDEDLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329329618 410236757 /nfs/dbraw/zinc/23/67/57/410236757.db2.gz YPEIQNWPVXUCIX-AWEZNQCLSA-N 2 2 315.421 1.354 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000358303834 410440784 /nfs/dbraw/zinc/44/07/84/410440784.db2.gz WVBRTYZROYUUGP-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000358303834 410440791 /nfs/dbraw/zinc/44/07/91/410440791.db2.gz WVBRTYZROYUUGP-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414909 411079077 /nfs/dbraw/zinc/07/90/77/411079077.db2.gz AAXWAFYQQMDAOI-UKRRQHHQSA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414909 411079080 /nfs/dbraw/zinc/07/90/80/411079080.db2.gz AAXWAFYQQMDAOI-UKRRQHHQSA-N 2 2 319.453 1.098 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000374061399 418486402 /nfs/dbraw/zinc/48/64/02/418486402.db2.gz MYRKUOVIKLOAIJ-INIZCTEOSA-N 2 2 314.433 1.769 20 30 DDEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000374061399 418486404 /nfs/dbraw/zinc/48/64/04/418486404.db2.gz MYRKUOVIKLOAIJ-INIZCTEOSA-N 2 2 314.433 1.769 20 30 DDEDLP C#CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000192355413 222125505 /nfs/dbraw/zinc/12/55/05/222125505.db2.gz GKJDHNLTDLORTJ-UHFFFAOYSA-N 2 2 305.466 1.856 20 30 DDEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246556361 222223261 /nfs/dbraw/zinc/22/32/61/222223261.db2.gz WXXADKKEEXJRRA-XHSDSOJGSA-N 2 2 309.454 1.110 20 30 DDEDLP C[C@H]1CN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000262435490 222280216 /nfs/dbraw/zinc/28/02/16/222280216.db2.gz GEFDJAGSIUOWEL-HNNXBMFYSA-N 2 2 324.469 1.057 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)CCC2 ZINC000263165331 222304666 /nfs/dbraw/zinc/30/46/66/222304666.db2.gz REWNIHYVTYDLIA-CALCHBBNSA-N 2 2 314.433 1.765 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)CCC2 ZINC000263165331 222304670 /nfs/dbraw/zinc/30/46/70/222304670.db2.gz REWNIHYVTYDLIA-CALCHBBNSA-N 2 2 314.433 1.765 20 30 DDEDLP C[NH+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CC1 ZINC000264093693 222316432 /nfs/dbraw/zinc/31/64/32/222316432.db2.gz XEOUVFBSUXAOOE-UHFFFAOYSA-N 2 2 302.422 1.346 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267461376 222385531 /nfs/dbraw/zinc/38/55/31/222385531.db2.gz VEMVBPJQVOYKCQ-KBPBESRZSA-N 2 2 303.410 1.597 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267461376 222385535 /nfs/dbraw/zinc/38/55/35/222385535.db2.gz VEMVBPJQVOYKCQ-KBPBESRZSA-N 2 2 303.410 1.597 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000386794932 418741114 /nfs/dbraw/zinc/74/11/14/418741114.db2.gz MMTBSLGUVYWAJA-UKRRQHHQSA-N 2 2 300.362 1.173 20 30 DDEDLP C=C(Cl)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363500594 418766326 /nfs/dbraw/zinc/76/63/26/418766326.db2.gz RZTVBAZWYROLNB-GFCCVEGCSA-N 2 2 300.834 1.207 20 30 DDEDLP C=C(Cl)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363500594 418766327 /nfs/dbraw/zinc/76/63/27/418766327.db2.gz RZTVBAZWYROLNB-GFCCVEGCSA-N 2 2 300.834 1.207 20 30 DDEDLP C[NH+](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000364783216 418810235 /nfs/dbraw/zinc/81/02/35/418810235.db2.gz CRZNPCVTFOBFFW-UHFFFAOYSA-N 2 2 300.406 1.223 20 30 DDEDLP C[NH+]1CCC(CNC(=O)CC(C)(C)C#N)([NH+]2CCCCC2)CC1 ZINC000365987555 418927591 /nfs/dbraw/zinc/92/75/91/418927591.db2.gz MXQXZUMCVZWSHD-UHFFFAOYSA-N 2 2 320.481 1.993 20 30 DDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424154554 228237164 /nfs/dbraw/zinc/23/71/64/228237164.db2.gz MOOZRZCKCGXINC-ZBFHGGJFSA-N 2 2 315.421 1.308 20 30 DDEDLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418692990 419938240 /nfs/dbraw/zinc/93/82/40/419938240.db2.gz GHUGANVXQNEMKH-KBPBESRZSA-N 2 2 315.421 1.121 20 30 DDEDLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418692996 419938369 /nfs/dbraw/zinc/93/83/69/419938369.db2.gz GHUGANVXQNEMKH-KGLIPLIRSA-N 2 2 315.421 1.121 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423581691 420087740 /nfs/dbraw/zinc/08/77/40/420087740.db2.gz ZFNXQJPIOMROAQ-QGZVFWFLSA-N 2 2 300.406 1.105 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562991582 421436651 /nfs/dbraw/zinc/43/66/51/421436651.db2.gz PYJXXGUPBLBBKE-SKDZVZGDSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562991582 421436653 /nfs/dbraw/zinc/43/66/53/421436653.db2.gz PYJXXGUPBLBBKE-SKDZVZGDSA-N 2 2 315.417 1.370 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000515613564 421510426 /nfs/dbraw/zinc/51/04/26/421510426.db2.gz OSTDBIGWEJGYCH-HNNXBMFYSA-N 2 2 315.421 1.141 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000569095404 421624781 /nfs/dbraw/zinc/62/47/81/421624781.db2.gz QTBLBDIQQHXYDH-INIZCTEOSA-N 2 2 301.390 1.641 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1=O ZINC000541203177 421788322 /nfs/dbraw/zinc/78/83/22/421788322.db2.gz UZRYAHNYURKNBE-INIZCTEOSA-N 2 2 323.400 1.573 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCC[NH2+]1 ZINC000662793537 424770137 /nfs/dbraw/zinc/77/01/37/424770137.db2.gz IOQDCPYLVWDGCP-KRWDZBQOSA-N 2 2 315.421 1.132 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000262474607 278218051 /nfs/dbraw/zinc/21/80/51/278218051.db2.gz PUQGIAXFJWGKSH-QWHCGFSZSA-N 2 2 322.478 1.530 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000262474607 278218052 /nfs/dbraw/zinc/21/80/52/278218052.db2.gz PUQGIAXFJWGKSH-QWHCGFSZSA-N 2 2 322.478 1.530 20 30 DDEDLP COCC#CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671707632 485173026 /nfs/dbraw/zinc/17/30/26/485173026.db2.gz IEUSYAWFTWIXAQ-UHFFFAOYSA-N 2 2 315.461 1.386 20 30 DDEDLP COCC#CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671707632 485173030 /nfs/dbraw/zinc/17/30/30/485173030.db2.gz IEUSYAWFTWIXAQ-UHFFFAOYSA-N 2 2 315.461 1.386 20 30 DDEDLP C=CCOC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000459514618 526794321 /nfs/dbraw/zinc/79/43/21/526794321.db2.gz QIWITMVPUACOJG-MRXNPFEDSA-N 2 2 319.405 1.384 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491680858 526814191 /nfs/dbraw/zinc/81/41/91/526814191.db2.gz KFHXACAFVJJEDX-UHFFFAOYSA-N 2 2 317.437 1.016 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491680858 526814197 /nfs/dbraw/zinc/81/41/97/526814197.db2.gz KFHXACAFVJJEDX-UHFFFAOYSA-N 2 2 317.437 1.016 20 30 DDEDLP C#CC[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491676330 526898505 /nfs/dbraw/zinc/89/85/05/526898505.db2.gz WDDFXXUMEBQXJH-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP C#CC[N@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491676330 526898510 /nfs/dbraw/zinc/89/85/10/526898510.db2.gz WDDFXXUMEBQXJH-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980194164 696705756 /nfs/dbraw/zinc/70/57/56/696705756.db2.gz QEQLHFMKFQVZQV-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980194164 696705758 /nfs/dbraw/zinc/70/57/58/696705758.db2.gz QEQLHFMKFQVZQV-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974686001 695711565 /nfs/dbraw/zinc/71/15/65/695711565.db2.gz FLXQYDLENHTKPC-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974686001 695711568 /nfs/dbraw/zinc/71/15/68/695711568.db2.gz FLXQYDLENHTKPC-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974686001 695711570 /nfs/dbraw/zinc/71/15/70/695711570.db2.gz FLXQYDLENHTKPC-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974686001 695711571 /nfs/dbraw/zinc/71/15/71/695711571.db2.gz FLXQYDLENHTKPC-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(=C)C)CC1(C)C ZINC000974688437 695712354 /nfs/dbraw/zinc/71/23/54/695712354.db2.gz ZBNUZEJNERZBOU-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(=C)C)CC1(C)C ZINC000974688437 695712357 /nfs/dbraw/zinc/71/23/57/695712357.db2.gz ZBNUZEJNERZBOU-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(=C)C)CC1(C)C ZINC000974688437 695712359 /nfs/dbraw/zinc/71/23/59/695712359.db2.gz ZBNUZEJNERZBOU-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC(=C)C)CC1(C)C ZINC000974688437 695712361 /nfs/dbraw/zinc/71/23/61/695712361.db2.gz ZBNUZEJNERZBOU-HOTGVXAUSA-N 2 2 303.450 1.487 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974695100 695713309 /nfs/dbraw/zinc/71/33/09/695713309.db2.gz VLPGIWQZJFETAF-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977503547 696191867 /nfs/dbraw/zinc/19/18/67/696191867.db2.gz XJIKNUNFJQJVGK-OAHLLOKOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977503547 696191869 /nfs/dbraw/zinc/19/18/69/696191869.db2.gz XJIKNUNFJQJVGK-OAHLLOKOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978365065 696371284 /nfs/dbraw/zinc/37/12/84/696371284.db2.gz FUCUWHWZOFFLIR-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978365065 696371287 /nfs/dbraw/zinc/37/12/87/696371287.db2.gz FUCUWHWZOFFLIR-QSPRXWTASA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978376818 696372901 /nfs/dbraw/zinc/37/29/01/696372901.db2.gz UGZBYLBEHAFMSN-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978376818 696372905 /nfs/dbraw/zinc/37/29/05/696372905.db2.gz UGZBYLBEHAFMSN-DZUCGIPZSA-N 2 2 314.433 1.316 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1C[C@H](C)C[C@@H](C)C1 ZINC000088240692 696569682 /nfs/dbraw/zinc/56/96/82/696569682.db2.gz UYAZQTAVTSSHSL-CHWSQXEVSA-N 2 2 320.485 1.976 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000986608572 697850802 /nfs/dbraw/zinc/85/08/02/697850802.db2.gz HZNDEIALSVHKQP-PBHICJAKSA-N 2 2 308.385 1.698 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987071600 697985000 /nfs/dbraw/zinc/98/50/00/697985000.db2.gz XTLHSBPCODKUPT-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778165658 698246405 /nfs/dbraw/zinc/24/64/05/698246405.db2.gz OOXCXEWSIPHPTH-UHFFFAOYSA-N 2 2 316.449 1.885 20 30 DDEDLP C=CC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778165658 698246409 /nfs/dbraw/zinc/24/64/09/698246409.db2.gz OOXCXEWSIPHPTH-UHFFFAOYSA-N 2 2 316.449 1.885 20 30 DDEDLP CC(C)NC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303878717 698609248 /nfs/dbraw/zinc/60/92/48/698609248.db2.gz GBKVZTTYJFGXLW-HNNXBMFYSA-N 2 2 303.454 1.510 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673421 698720120 /nfs/dbraw/zinc/72/01/20/698720120.db2.gz VYMLIGWJFKGXSJ-ZIAGYGMSSA-N 2 2 309.373 1.093 20 30 DDEDLP CCn1cc(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000842037399 702661119 /nfs/dbraw/zinc/66/11/19/702661119.db2.gz ZCAYFVOPEXFRNO-UHFFFAOYSA-N 2 2 315.421 1.844 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819022740 704053794 /nfs/dbraw/zinc/05/37/94/704053794.db2.gz XDTSLTKKKWCVQU-MRXNPFEDSA-N 2 2 305.378 1.868 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000854074978 704353355 /nfs/dbraw/zinc/35/33/55/704353355.db2.gz JULBJJGPVIUDSK-HOCLYGCPSA-N 2 2 306.454 1.208 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000854074978 704353356 /nfs/dbraw/zinc/35/33/56/704353356.db2.gz JULBJJGPVIUDSK-HOCLYGCPSA-N 2 2 306.454 1.208 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865451325 706435479 /nfs/dbraw/zinc/43/54/79/706435479.db2.gz YSYARCPMOUEMEM-DLBZAZTESA-N 2 2 314.433 1.577 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000865451325 706435481 /nfs/dbraw/zinc/43/54/81/706435481.db2.gz YSYARCPMOUEMEM-DLBZAZTESA-N 2 2 314.433 1.577 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926864455 712914222 /nfs/dbraw/zinc/91/42/22/712914222.db2.gz HBBIRGWDUGJEDD-DLBZAZTESA-N 2 2 322.497 1.701 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923427978 714352885 /nfs/dbraw/zinc/35/28/85/714352885.db2.gz MYDHCWBYTXJSEN-WBVHZDCISA-N 2 2 315.417 1.562 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000923554917 714399918 /nfs/dbraw/zinc/39/99/18/714399918.db2.gz SCXKMXVVRMQKFL-LSDHHAIUSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000923554917 714399921 /nfs/dbraw/zinc/39/99/21/714399921.db2.gz SCXKMXVVRMQKFL-LSDHHAIUSA-N 2 2 302.422 1.610 20 30 DDEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958184227 716381980 /nfs/dbraw/zinc/38/19/80/716381980.db2.gz XDYHLUSLZZDOBD-BBRMVZONSA-N 2 2 314.389 1.162 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958184227 716381986 /nfs/dbraw/zinc/38/19/86/716381986.db2.gz XDYHLUSLZZDOBD-BBRMVZONSA-N 2 2 314.389 1.162 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000962187685 717342253 /nfs/dbraw/zinc/34/22/53/717342253.db2.gz DJVSFZDIQKRWRV-FVQHAEBGSA-N 2 2 306.369 1.166 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000962187685 717342258 /nfs/dbraw/zinc/34/22/58/717342258.db2.gz DJVSFZDIQKRWRV-FVQHAEBGSA-N 2 2 306.369 1.166 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181459 717531762 /nfs/dbraw/zinc/53/17/62/717531762.db2.gz RPTUCTUZVALJND-UKRRQHHQSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181459 717531770 /nfs/dbraw/zinc/53/17/70/717531770.db2.gz RPTUCTUZVALJND-UKRRQHHQSA-N 2 2 302.422 1.386 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206569 717548246 /nfs/dbraw/zinc/54/82/46/717548246.db2.gz BJURRVHSKYISHJ-UKRRQHHQSA-N 2 2 318.421 1.200 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206569 717548250 /nfs/dbraw/zinc/54/82/50/717548250.db2.gz BJURRVHSKYISHJ-UKRRQHHQSA-N 2 2 318.421 1.200 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556064 719545311 /nfs/dbraw/zinc/54/53/11/719545311.db2.gz BVPJSJULHQUUPA-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556064 719545316 /nfs/dbraw/zinc/54/53/16/719545316.db2.gz BVPJSJULHQUUPA-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969994363 720590523 /nfs/dbraw/zinc/59/05/23/720590523.db2.gz XTOKPZDVCGDBAK-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407040 720749806 /nfs/dbraw/zinc/74/98/06/720749806.db2.gz DDVQABMVFGHAAP-JSGCOSHPSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203203354 733585851 /nfs/dbraw/zinc/58/58/51/733585851.db2.gz QHNOIDDHDIRYAB-ZIAGYGMSSA-N 2 2 302.422 1.556 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212930 782411583 /nfs/dbraw/zinc/41/15/83/782411583.db2.gz YHHHQVURQNISAA-UHFFFAOYSA-N 2 2 300.406 1.383 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212930 782411588 /nfs/dbraw/zinc/41/15/88/782411588.db2.gz YHHHQVURQNISAA-UHFFFAOYSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447069 735239359 /nfs/dbraw/zinc/23/93/59/735239359.db2.gz FETHZQUAUJDXKI-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447069 735239361 /nfs/dbraw/zinc/23/93/61/735239361.db2.gz FETHZQUAUJDXKI-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514959 735891148 /nfs/dbraw/zinc/89/11/48/735891148.db2.gz JHEXIULCQZJQEA-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514959 735891152 /nfs/dbraw/zinc/89/11/52/735891152.db2.gz JHEXIULCQZJQEA-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024521801 735897234 /nfs/dbraw/zinc/89/72/34/735897234.db2.gz VGMVHDHFOQXCQQ-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024521801 735897235 /nfs/dbraw/zinc/89/72/35/735897235.db2.gz VGMVHDHFOQXCQQ-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652737 736004124 /nfs/dbraw/zinc/00/41/24/736004124.db2.gz URHAIYMQIASILR-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652737 736004129 /nfs/dbraw/zinc/00/41/29/736004129.db2.gz URHAIYMQIASILR-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087315838 736068979 /nfs/dbraw/zinc/06/89/79/736068979.db2.gz JDPLAAGPCJPYBB-KBRIMQKVSA-N 2 2 314.433 1.499 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087315838 736068987 /nfs/dbraw/zinc/06/89/87/736068987.db2.gz JDPLAAGPCJPYBB-KBRIMQKVSA-N 2 2 314.433 1.499 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762353 736073907 /nfs/dbraw/zinc/07/39/07/736073907.db2.gz QFDMKFOXXARDFP-HNNXBMFYSA-N 2 2 314.433 1.755 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024762353 736073912 /nfs/dbraw/zinc/07/39/12/736073912.db2.gz QFDMKFOXXARDFP-HNNXBMFYSA-N 2 2 314.433 1.755 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]12 ZINC001026319209 737344638 /nfs/dbraw/zinc/34/46/38/737344638.db2.gz QCSUXMHXJONKNB-BZUAXINKSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518563 737631095 /nfs/dbraw/zinc/63/10/95/737631095.db2.gz XRNNQNXBKXGPCA-WLYUNCDWSA-N 2 2 302.422 1.649 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696286 738899780 /nfs/dbraw/zinc/89/97/80/738899780.db2.gz DNMFQDBBCVZQNR-DLBZAZTESA-N 2 2 322.412 1.560 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979464 738900648 /nfs/dbraw/zinc/90/06/48/738900648.db2.gz DBNLEIMFNRUARO-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979464 738900651 /nfs/dbraw/zinc/90/06/51/738900651.db2.gz DBNLEIMFNRUARO-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139488 739082075 /nfs/dbraw/zinc/08/20/75/739082075.db2.gz ORRTWCWIJYVECY-CQSZACIVSA-N 2 2 318.421 1.651 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139488 739082079 /nfs/dbraw/zinc/08/20/79/739082079.db2.gz ORRTWCWIJYVECY-CQSZACIVSA-N 2 2 318.421 1.651 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167894709 739196762 /nfs/dbraw/zinc/19/67/62/739196762.db2.gz QVRWNHPMDCFJSZ-UHFFFAOYSA-N 2 2 310.829 1.889 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001035361641 751446517 /nfs/dbraw/zinc/44/65/17/751446517.db2.gz OEJGPKJHPFFOPO-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361641 751446520 /nfs/dbraw/zinc/44/65/20/751446520.db2.gz OEJGPKJHPFFOPO-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035361641 751446526 /nfs/dbraw/zinc/44/65/26/751446526.db2.gz OEJGPKJHPFFOPO-CVEARBPZSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001029342277 740582152 /nfs/dbraw/zinc/58/21/52/740582152.db2.gz GZXHNZUWPPVRAK-NXOAAHMSSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001029342277 740582153 /nfs/dbraw/zinc/58/21/53/740582153.db2.gz GZXHNZUWPPVRAK-NXOAAHMSSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001029342277 740582156 /nfs/dbraw/zinc/58/21/56/740582156.db2.gz GZXHNZUWPPVRAK-NXOAAHMSSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001029342277 740582158 /nfs/dbraw/zinc/58/21/58/740582158.db2.gz GZXHNZUWPPVRAK-NXOAAHMSSA-N 2 2 321.440 1.507 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631417 740684295 /nfs/dbraw/zinc/68/42/95/740684295.db2.gz ZIQQWMFAVGKAFO-BHYGNILZSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631417 740684297 /nfs/dbraw/zinc/68/42/97/740684297.db2.gz ZIQQWMFAVGKAFO-BHYGNILZSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629272 740688251 /nfs/dbraw/zinc/68/82/51/740688251.db2.gz JSQLLVORAJDHDC-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629272 740688255 /nfs/dbraw/zinc/68/82/55/740688255.db2.gz JSQLLVORAJDHDC-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968376 742289343 /nfs/dbraw/zinc/28/93/43/742289343.db2.gz DNJQSRVRVKIVFR-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968376 742289346 /nfs/dbraw/zinc/28/93/46/742289346.db2.gz DNJQSRVRVKIVFR-YQQAZPJKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182580027 743668659 /nfs/dbraw/zinc/66/86/59/743668659.db2.gz SSUUKJGEEATWPQ-HBUWYVDXSA-N 2 2 314.433 1.537 20 30 DDEDLP C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829118 743914757 /nfs/dbraw/zinc/91/47/57/743914757.db2.gz IBAIGTMYPJJAIA-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829118 743914759 /nfs/dbraw/zinc/91/47/59/743914759.db2.gz IBAIGTMYPJJAIA-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185786810 744285512 /nfs/dbraw/zinc/28/55/12/744285512.db2.gz BGVULQFVTXUEGW-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190256838 745163070 /nfs/dbraw/zinc/16/30/70/745163070.db2.gz ARTUOPJGIOJDSO-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190256838 745163071 /nfs/dbraw/zinc/16/30/71/745163071.db2.gz ARTUOPJGIOJDSO-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001191533992 745536394 /nfs/dbraw/zinc/53/63/94/745536394.db2.gz XMMDZLHXKUVXBJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001191533992 745536396 /nfs/dbraw/zinc/53/63/96/745536396.db2.gz XMMDZLHXKUVXBJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191533992 745536398 /nfs/dbraw/zinc/53/63/98/745536398.db2.gz XMMDZLHXKUVXBJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191533992 745536399 /nfs/dbraw/zinc/53/63/99/745536399.db2.gz XMMDZLHXKUVXBJ-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333547 745610027 /nfs/dbraw/zinc/61/00/27/745610027.db2.gz MSNSCCKYLDTOJF-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340490 745613409 /nfs/dbraw/zinc/61/34/09/745613409.db2.gz ZYXVOAHHZORPQB-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578209 745831212 /nfs/dbraw/zinc/83/12/12/745831212.db2.gz MUTVNJKGFYYEGT-JKSUJKDBSA-N 2 2 320.437 1.570 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578209 745831215 /nfs/dbraw/zinc/83/12/15/745831215.db2.gz MUTVNJKGFYYEGT-JKSUJKDBSA-N 2 2 320.437 1.570 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193103021 745978557 /nfs/dbraw/zinc/97/85/57/745978557.db2.gz PNMZNPUWWQYONS-RBSFLKMASA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193103021 745978559 /nfs/dbraw/zinc/97/85/59/745978559.db2.gz PNMZNPUWWQYONS-RBSFLKMASA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787801 746193663 /nfs/dbraw/zinc/19/36/63/746193663.db2.gz USZLRWCMALACEY-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193787801 746193664 /nfs/dbraw/zinc/19/36/64/746193664.db2.gz USZLRWCMALACEY-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993581583 746214706 /nfs/dbraw/zinc/21/47/06/746214706.db2.gz XXADYTDFTOSDMO-GDBMZVCRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993581583 746214707 /nfs/dbraw/zinc/21/47/07/746214707.db2.gz XXADYTDFTOSDMO-GDBMZVCRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993701891 746295699 /nfs/dbraw/zinc/29/56/99/746295699.db2.gz GOPKVEYVTIXDMU-ZFWWWQNUSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993701891 746295702 /nfs/dbraw/zinc/29/57/02/746295702.db2.gz GOPKVEYVTIXDMU-ZFWWWQNUSA-N 2 2 303.406 1.557 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381505 752119224 /nfs/dbraw/zinc/11/92/24/752119224.db2.gz FWBPDGXSDHIQMG-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381505 752119228 /nfs/dbraw/zinc/11/92/28/752119228.db2.gz FWBPDGXSDHIQMG-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001036049665 752128230 /nfs/dbraw/zinc/12/82/30/752128230.db2.gz XTHBPUKGFROVIP-BXUZGUMPSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001036049665 752128231 /nfs/dbraw/zinc/12/82/31/752128231.db2.gz XTHBPUKGFROVIP-BXUZGUMPSA-N 2 2 310.829 1.921 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](F)CC)CC1 ZINC001003055580 746945089 /nfs/dbraw/zinc/94/50/89/746945089.db2.gz IVVAEKWRNVGNEZ-ZBFHGGJFSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](F)CC)CC1 ZINC001003055580 746945094 /nfs/dbraw/zinc/94/50/94/746945094.db2.gz IVVAEKWRNVGNEZ-ZBFHGGJFSA-N 2 2 309.429 1.413 20 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750108158 /nfs/dbraw/zinc/10/81/58/750108158.db2.gz MWDRQVPXCYJNMU-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645964 750108162 /nfs/dbraw/zinc/10/81/62/750108162.db2.gz MWDRQVPXCYJNMU-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645686 750108354 /nfs/dbraw/zinc/10/83/54/750108354.db2.gz CRPPAJYKOCMDBP-VDERGJSUSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095645686 750108356 /nfs/dbraw/zinc/10/83/56/750108356.db2.gz CRPPAJYKOCMDBP-VDERGJSUSA-N 2 2 300.406 1.353 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651905 750301375 /nfs/dbraw/zinc/30/13/75/750301375.db2.gz NXNDGUNSLBOBNF-SJLPKXTDSA-N 2 2 314.433 1.657 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651905 750301382 /nfs/dbraw/zinc/30/13/82/750301382.db2.gz NXNDGUNSLBOBNF-SJLPKXTDSA-N 2 2 314.433 1.657 20 30 DDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005605002 750694705 /nfs/dbraw/zinc/69/47/05/750694705.db2.gz FHMQHWVWZBJPSB-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997647618 751181412 /nfs/dbraw/zinc/18/14/12/751181412.db2.gz XQKMUOYWMSZNDM-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007907576 752428748 /nfs/dbraw/zinc/42/87/48/752428748.db2.gz MCCINLMKXKMCEH-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007907576 752428751 /nfs/dbraw/zinc/42/87/51/752428751.db2.gz MCCINLMKXKMCEH-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999470781 752938260 /nfs/dbraw/zinc/93/82/60/752938260.db2.gz WLJDRVCUMORWMF-UHFFFAOYSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537638 752981112 /nfs/dbraw/zinc/98/11/12/752981112.db2.gz SRIVYEYSYLHRIF-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864580 762279064 /nfs/dbraw/zinc/27/90/64/762279064.db2.gz YIWYXIWKIHMMIR-OAHLLOKOSA-N 2 2 300.406 1.380 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864580 762279070 /nfs/dbraw/zinc/27/90/70/762279070.db2.gz YIWYXIWKIHMMIR-OAHLLOKOSA-N 2 2 300.406 1.380 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001169204121 762279760 /nfs/dbraw/zinc/27/97/60/762279760.db2.gz IFVLEPMKTUBLAH-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001169204502 762281815 /nfs/dbraw/zinc/28/18/15/762281815.db2.gz MJHSHMOFXZAXRG-UHFFFAOYSA-N 2 2 314.364 1.239 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001079879548 755618705 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/nfs/dbraw/zinc/27/86/18/838278618.db2.gz GMCVOEBRGTXGHP-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267543866 838278641 /nfs/dbraw/zinc/27/86/41/838278641.db2.gz GMCVOEBRGTXGHP-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001268045415 839584596 /nfs/dbraw/zinc/58/45/96/839584596.db2.gz IAHBBUISLUCLQL-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001269877313 842124947 /nfs/dbraw/zinc/12/49/47/842124947.db2.gz IPZRVCRVRWYPJE-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001326412471 861345949 /nfs/dbraw/zinc/34/59/49/861345949.db2.gz UBNGZQLRTIJHRL-CYBMUJFWSA-N 2 2 310.829 1.543 20 30 DDEDLP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001271005726 843128147 /nfs/dbraw/zinc/12/81/47/843128147.db2.gz SYFAFBXRBKIYGS-HOTGVXAUSA-N 2 2 304.438 1.930 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001271005724 843128490 /nfs/dbraw/zinc/12/84/90/843128490.db2.gz SYFAFBXRBKIYGS-CVEARBPZSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271277057 843462644 /nfs/dbraw/zinc/46/26/44/843462644.db2.gz DMKIBIFELSLJOM-JKSUJKDBSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001271585731 843715323 /nfs/dbraw/zinc/71/53/23/843715323.db2.gz UBKMAUKJSAVLKK-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001271585731 843715326 /nfs/dbraw/zinc/71/53/26/843715326.db2.gz UBKMAUKJSAVLKK-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000997042509 847183962 /nfs/dbraw/zinc/18/39/62/847183962.db2.gz PWGBSHMTNPFCIN-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034392183 848427184 /nfs/dbraw/zinc/42/71/84/848427184.db2.gz YELCMURVDMGIKY-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034392183 848427190 /nfs/dbraw/zinc/42/71/90/848427190.db2.gz YELCMURVDMGIKY-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001410268071 848984263 /nfs/dbraw/zinc/98/42/63/848984263.db2.gz JVVURVMXYXQWKI-CQSZACIVSA-N 2 2 312.845 1.836 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273492407 851026005 /nfs/dbraw/zinc/02/60/05/851026005.db2.gz QBXRASYCNMVLDY-KRWDZBQOSA-N 2 2 318.421 1.190 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273492407 851026018 /nfs/dbraw/zinc/02/60/18/851026018.db2.gz QBXRASYCNMVLDY-KRWDZBQOSA-N 2 2 318.421 1.190 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274031950 851871593 /nfs/dbraw/zinc/87/15/93/851871593.db2.gz CQYPOSFZFAMTOL-QGZVFWFLSA-N 2 2 315.421 1.538 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274031950 851871595 /nfs/dbraw/zinc/87/15/95/851871595.db2.gz CQYPOSFZFAMTOL-QGZVFWFLSA-N 2 2 315.421 1.538 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001280596446 852757598 /nfs/dbraw/zinc/75/75/98/852757598.db2.gz RHXVXHFYNKZHFB-JKSUJKDBSA-N 2 2 320.437 1.473 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H](C1)O2 ZINC001275290610 852956608 /nfs/dbraw/zinc/95/66/08/852956608.db2.gz SZMNXOGEYYXGBT-HDICACEKSA-N 2 2 314.433 1.005 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H](C1)O2 ZINC001275290610 852956617 /nfs/dbraw/zinc/95/66/17/852956617.db2.gz SZMNXOGEYYXGBT-HDICACEKSA-N 2 2 314.433 1.005 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824581 862481418 /nfs/dbraw/zinc/48/14/18/862481418.db2.gz MXJJJFCQOKOJSP-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824581 862481425 /nfs/dbraw/zinc/48/14/25/862481425.db2.gz MXJJJFCQOKOJSP-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001276242520 855035028 /nfs/dbraw/zinc/03/50/28/855035028.db2.gz NUJDGJHCPSKSOS-UHFFFAOYSA-N 2 2 316.424 1.767 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001276254413 855059948 /nfs/dbraw/zinc/05/99/48/855059948.db2.gz BJFCFRRAYTWHFK-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001328035253 862650802 /nfs/dbraw/zinc/65/08/02/862650802.db2.gz OTQBGNSMRRDFFA-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001328035253 862650813 /nfs/dbraw/zinc/65/08/13/862650813.db2.gz OTQBGNSMRRDFFA-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001328196290 862762088 /nfs/dbraw/zinc/76/20/88/862762088.db2.gz HBXYKMSKGCNKCJ-HNNXBMFYSA-N 2 2 320.437 1.353 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001121905690 858628061 /nfs/dbraw/zinc/62/80/61/858628061.db2.gz NTKRRTCFUHLBAQ-HNNXBMFYSA-N 2 2 302.422 1.982 20 30 DDEDLP C#CC[NH2+]CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001121922551 858635199 /nfs/dbraw/zinc/63/51/99/858635199.db2.gz LMADNTIGQSCJNN-UHFFFAOYSA-N 2 2 314.433 1.369 20 30 DDEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290392 858740126 /nfs/dbraw/zinc/74/01/26/858740126.db2.gz MQKLXFJLIXFUBU-UHFFFAOYSA-N 2 2 302.422 1.866 20 30 DDEDLP CC#CC[NH2+]CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001328861603 863289681 /nfs/dbraw/zinc/28/96/81/863289681.db2.gz SZQMVAKDPVJAGG-UHFFFAOYSA-N 2 2 314.433 1.270 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001330023024 864025826 /nfs/dbraw/zinc/02/58/26/864025826.db2.gz VSVLKQIFHXFVMN-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225305151 881772974 /nfs/dbraw/zinc/77/29/74/881772974.db2.gz UKBWNKHVIIICMR-UHFFFAOYSA-N 2 2 324.856 1.933 20 30 DDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001330852787 864655211 /nfs/dbraw/zinc/65/52/11/864655211.db2.gz SMJONCMEBWAERM-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331134657 864888085 /nfs/dbraw/zinc/88/80/85/864888085.db2.gz YTTXQEINUYUDPP-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331134657 864888100 /nfs/dbraw/zinc/88/81/00/864888100.db2.gz YTTXQEINUYUDPP-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP N#Cc1cc(C#N)c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1Cl ZINC001160512040 865895988 /nfs/dbraw/zinc/89/59/88/865895988.db2.gz RMMUTBORCXRPNW-OAHLLOKOSA-N 2 2 316.796 1.313 20 30 DDEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001319921456 866386433 /nfs/dbraw/zinc/38/64/33/866386433.db2.gz HJCXLWXCEUTBIB-CABCVRRESA-N 2 2 304.438 1.752 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001324102024 867071934 /nfs/dbraw/zinc/07/19/34/867071934.db2.gz KKFJUFJYFLQGCD-HOTGVXAUSA-N 2 2 302.422 1.656 20 30 DDEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001321552661 867663184 /nfs/dbraw/zinc/66/31/84/867663184.db2.gz SSUBOWSWFJXBHI-CVEARBPZSA-N 2 2 320.437 1.214 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322192205 868036207 /nfs/dbraw/zinc/03/62/07/868036207.db2.gz FOHWGHOPCQKNAI-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322192205 868036226 /nfs/dbraw/zinc/03/62/26/868036226.db2.gz FOHWGHOPCQKNAI-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322194576 868041279 /nfs/dbraw/zinc/04/12/79/868041279.db2.gz USYGNOLRXJAWFV-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322194576 868041292 /nfs/dbraw/zinc/04/12/92/868041292.db2.gz USYGNOLRXJAWFV-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165837384 869729971 /nfs/dbraw/zinc/72/99/71/869729971.db2.gz UEMWCFLUYKLZGH-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042663 870154098 /nfs/dbraw/zinc/15/40/98/870154098.db2.gz GSFLYAPUMFZZHT-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042663 870154100 /nfs/dbraw/zinc/15/41/00/870154100.db2.gz GSFLYAPUMFZZHT-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317154223 870375389 /nfs/dbraw/zinc/37/53/89/870375389.db2.gz UWIZJFBABGWFRL-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317186747 870435633 /nfs/dbraw/zinc/43/56/33/870435633.db2.gz BFHARDIKHMJJLO-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1CC ZINC001316735928 871260415 /nfs/dbraw/zinc/26/04/15/871260415.db2.gz JFUQDLUPOOAMAR-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1CC ZINC001316735928 871260426 /nfs/dbraw/zinc/26/04/26/871260426.db2.gz JFUQDLUPOOAMAR-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1O ZINC001276494226 872610792 /nfs/dbraw/zinc/61/07/92/872610792.db2.gz QPKBAMYROBRZMH-IYBDPMFKSA-N 2 2 300.406 1.084 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1O ZINC001276494226 872610804 /nfs/dbraw/zinc/61/08/04/872610804.db2.gz QPKBAMYROBRZMH-IYBDPMFKSA-N 2 2 300.406 1.084 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227164849 882887724 /nfs/dbraw/zinc/88/77/24/882887724.db2.gz HRJHBVAPTYGEBB-DJIMGWMZSA-N 2 2 314.433 1.486 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227166098 882888619 /nfs/dbraw/zinc/88/86/19/882888619.db2.gz RHEZIIKWGZYHFZ-DJIMGWMZSA-N 2 2 314.433 1.486 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214914170 876505994 /nfs/dbraw/zinc/50/59/94/876505994.db2.gz ZAVZMUVHGXZPDO-OAGGEKHMSA-N 2 2 302.422 1.540 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185132 876884923 /nfs/dbraw/zinc/88/49/23/876884923.db2.gz NWEMAUVMWQSYPS-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353468238 877352688 /nfs/dbraw/zinc/35/26/88/877352688.db2.gz VRGVOQMRCQQCNW-GOEBONIOSA-N 2 2 308.470 1.844 20 30 DDEDLP N#Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1N1CCCCC1 ZINC001218944492 877825718 /nfs/dbraw/zinc/82/57/18/877825718.db2.gz MVOMVVFCQKQQOI-HIFRSBDPSA-N 2 2 313.405 1.176 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001276838939 880702616 /nfs/dbraw/zinc/70/26/16/880702616.db2.gz DFAOFBMEDKQYAA-ULQDDVLXSA-N 2 2 314.433 1.513 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001276838939 880702628 /nfs/dbraw/zinc/70/26/28/880702628.db2.gz DFAOFBMEDKQYAA-ULQDDVLXSA-N 2 2 314.433 1.513 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001363215933 885734113 /nfs/dbraw/zinc/73/41/13/885734113.db2.gz LYGXVWWSOJEGSO-CABCVRRESA-N 2 2 302.422 1.729 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC001363215933 885734119 /nfs/dbraw/zinc/73/41/19/885734119.db2.gz LYGXVWWSOJEGSO-CABCVRRESA-N 2 2 302.422 1.729 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001277575899 885901211 /nfs/dbraw/zinc/90/12/11/885901211.db2.gz BBKMLFBDPXPZGW-DOTOQJQBSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236309442 889180254 /nfs/dbraw/zinc/18/02/54/889180254.db2.gz KSPCKWSBYXNJII-QGZVFWFLSA-N 3 2 322.497 1.405 20 30 DDEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236309442 889180270 /nfs/dbraw/zinc/18/02/70/889180270.db2.gz KSPCKWSBYXNJII-QGZVFWFLSA-N 3 2 322.497 1.405 20 30 DDEDLP N#Cc1cccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763524 892872745 /nfs/dbraw/zinc/87/27/45/892872745.db2.gz BJZJNQHJFLKGEK-HKUYNNGSSA-N 2 2 324.428 1.739 20 30 DDEDLP N#Cc1cccc(N2C[C@@]3(CC[N@H+]([C@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763524 892872764 /nfs/dbraw/zinc/87/27/64/892872764.db2.gz BJZJNQHJFLKGEK-HKUYNNGSSA-N 2 2 324.428 1.739 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366482522 893698598 /nfs/dbraw/zinc/69/85/98/893698598.db2.gz XXFSWONCULWAOI-CHWSQXEVSA-N 2 2 310.829 1.682 20 30 DDEDLP C=C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001253597605 895921990 /nfs/dbraw/zinc/92/19/90/895921990.db2.gz GJLNMSVNNWDCAG-KRWDZBQOSA-N 2 2 319.449 1.344 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001292882301 914067852 /nfs/dbraw/zinc/06/78/52/914067852.db2.gz ZGZLYMGLLOWZFQ-UHFFFAOYSA-N 2 2 316.405 1.593 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001255161117 896760714 /nfs/dbraw/zinc/76/07/14/896760714.db2.gz UOXRBDHJUZHVSU-HNNXBMFYSA-N 2 2 306.454 1.745 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001278972301 897619271 /nfs/dbraw/zinc/61/92/71/897619271.db2.gz BRIAIJIDYYHDQB-HOCLYGCPSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001263092875 900493534 /nfs/dbraw/zinc/49/35/34/900493534.db2.gz IFEKBZUCTSKQDX-LBPRGKRZSA-N 2 2 306.435 1.536 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001263092875 900493543 /nfs/dbraw/zinc/49/35/43/900493543.db2.gz IFEKBZUCTSKQDX-LBPRGKRZSA-N 2 2 306.435 1.536 20 30 DDEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001264553385 901181535 /nfs/dbraw/zinc/18/15/35/901181535.db2.gz KMUBPLMUWHAYQA-PMPSAXMXSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001265416093 901991549 /nfs/dbraw/zinc/99/15/49/901991549.db2.gz MSSVQSCKQRQDIU-OAGGEKHMSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001265416093 901991559 /nfs/dbraw/zinc/99/15/59/901991559.db2.gz MSSVQSCKQRQDIU-OAGGEKHMSA-N 2 2 302.422 1.913 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001265677695 902290515 /nfs/dbraw/zinc/29/05/15/902290515.db2.gz OQJQYSHZEXEMJI-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989915 902717889 /nfs/dbraw/zinc/71/78/89/902717889.db2.gz KGGQDAASLSADQU-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001266084802 902908824 /nfs/dbraw/zinc/90/88/24/902908824.db2.gz INBYEUCUPZGTPQ-IAGOWNOFSA-N 2 2 322.412 1.595 20 30 DDEDLP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001266084802 902908836 /nfs/dbraw/zinc/90/88/36/902908836.db2.gz INBYEUCUPZGTPQ-IAGOWNOFSA-N 2 2 322.412 1.595 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001392195075 903497146 /nfs/dbraw/zinc/49/71/46/903497146.db2.gz KVIOOZGMGGMPBY-BXUZGUMPSA-N 2 2 310.829 1.921 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281852964 905265705 /nfs/dbraw/zinc/26/57/05/905265705.db2.gz HQLBRVXEMAWJBR-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281852964 905265719 /nfs/dbraw/zinc/26/57/19/905265719.db2.gz HQLBRVXEMAWJBR-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001282627443 905910531 /nfs/dbraw/zinc/91/05/31/905910531.db2.gz NUQFSWPLWJNYRP-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820751 906070683 /nfs/dbraw/zinc/07/06/83/906070683.db2.gz MMWXCRLNOZQINW-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820751 906070696 /nfs/dbraw/zinc/07/06/96/906070696.db2.gz MMWXCRLNOZQINW-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820751 906070708 /nfs/dbraw/zinc/07/07/08/906070708.db2.gz MMWXCRLNOZQINW-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820751 906070717 /nfs/dbraw/zinc/07/07/17/906070717.db2.gz MMWXCRLNOZQINW-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001284102969 908479410 /nfs/dbraw/zinc/47/94/10/908479410.db2.gz QOBGBVXAFBVQSU-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001284631471 909275483 /nfs/dbraw/zinc/27/54/83/909275483.db2.gz NLTKDESHOWLDIW-UMVBOHGHSA-N 2 2 302.422 1.277 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926624 353782865 /nfs/dbraw/zinc/78/28/65/353782865.db2.gz BSXYQKKHLDHIAL-OAHLLOKOSA-N 2 2 317.437 1.131 20 30 DDEDLP CC[C@@H](C#N)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000593747295 355984904 /nfs/dbraw/zinc/98/49/04/355984904.db2.gz MGMPLQXNLNZQGT-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[C@@H](C#N)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000593747295 355984908 /nfs/dbraw/zinc/98/49/08/355984908.db2.gz MGMPLQXNLNZQGT-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000594426667 356207211 /nfs/dbraw/zinc/20/72/11/356207211.db2.gz QOWGSQCNRIBFTM-HNNXBMFYSA-N 2 2 315.421 1.709 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507789 356524002 /nfs/dbraw/zinc/52/40/02/356524002.db2.gz QUIXMDSSYBNRSP-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507789 356524007 /nfs/dbraw/zinc/52/40/07/356524007.db2.gz QUIXMDSSYBNRSP-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507789 356524011 /nfs/dbraw/zinc/52/40/11/356524011.db2.gz QUIXMDSSYBNRSP-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507789 356524015 /nfs/dbraw/zinc/52/40/15/356524015.db2.gz QUIXMDSSYBNRSP-NJAFHUGGSA-N 2 2 320.481 1.847 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081572964 192294883 /nfs/dbraw/zinc/29/48/83/192294883.db2.gz OPKNTTSLZNRVBR-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081572964 192294886 /nfs/dbraw/zinc/29/48/86/192294886.db2.gz OPKNTTSLZNRVBR-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081572964 192294888 /nfs/dbraw/zinc/29/48/88/192294888.db2.gz OPKNTTSLZNRVBR-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081572964 192294891 /nfs/dbraw/zinc/29/48/91/192294891.db2.gz OPKNTTSLZNRVBR-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP Cc1ccc(C#N)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596706785 356957076 /nfs/dbraw/zinc/95/70/76/356957076.db2.gz GTFFITBLUSEAHA-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP Cc1ccc(C#N)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596706785 356957079 /nfs/dbraw/zinc/95/70/79/356957079.db2.gz GTFFITBLUSEAHA-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598593352 357645159 /nfs/dbraw/zinc/64/51/59/357645159.db2.gz RIDODMLKGUABOV-HNNXBMFYSA-N 2 2 302.422 1.813 20 30 DDEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180036076 199110757 /nfs/dbraw/zinc/11/07/57/199110757.db2.gz UFROMNIHPOBTLB-UHFFFAOYSA-N 2 2 312.417 1.414 20 30 DDEDLP N#CCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601112820 358406615 /nfs/dbraw/zinc/40/66/15/358406615.db2.gz GXYZAFWZCZAOMD-UHFFFAOYSA-N 2 2 303.406 1.791 20 30 DDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602334405 358935423 /nfs/dbraw/zinc/93/54/23/358935423.db2.gz RFWZNAJCPJDGRT-WMZOPIPTSA-N 2 2 314.433 1.469 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602978378 359337377 /nfs/dbraw/zinc/33/73/77/359337377.db2.gz PSCYTFZQEHSCNV-ZBFHGGJFSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602978378 359337382 /nfs/dbraw/zinc/33/73/82/359337382.db2.gz PSCYTFZQEHSCNV-ZBFHGGJFSA-N 2 2 306.454 1.599 20 30 DDEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000611500497 360738399 /nfs/dbraw/zinc/73/83/99/360738399.db2.gz ORUJSSAZIVGWJF-STQMWFEESA-N 2 2 306.207 1.972 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917245 209323204 /nfs/dbraw/zinc/32/32/04/209323204.db2.gz ZBRALFITVRIQCN-CZUORRHYSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917245 209323206 /nfs/dbraw/zinc/32/32/06/209323206.db2.gz ZBRALFITVRIQCN-CZUORRHYSA-N 2 2 300.406 1.549 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CC2)CC1 ZINC000330303194 223101373 /nfs/dbraw/zinc/10/13/73/223101373.db2.gz OZJICRVGMMTWLT-AWEZNQCLSA-N 2 2 303.410 1.140 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000195144100 201348144 /nfs/dbraw/zinc/34/81/44/201348144.db2.gz OLLSHQVENKSRQM-KRWDZBQOSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000195144100 201348149 /nfs/dbraw/zinc/34/81/49/201348149.db2.gz OLLSHQVENKSRQM-KRWDZBQOSA-N 2 2 312.417 1.297 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000120180163 195113509 /nfs/dbraw/zinc/11/35/09/195113509.db2.gz CSJCBCNIJYXRPF-UHFFFAOYSA-N 2 2 315.421 1.175 20 30 DDEDLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000120677213 195214352 /nfs/dbraw/zinc/21/43/52/195214352.db2.gz KYMOUUPZGZFLGX-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000120677213 195214354 /nfs/dbraw/zinc/21/43/54/195214354.db2.gz KYMOUUPZGZFLGX-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000570083829 304394812 /nfs/dbraw/zinc/39/48/12/304394812.db2.gz NAEFJXRFKAPCAS-UHFFFAOYSA-N 2 2 321.428 1.918 20 30 DDEDLP COCc1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000272053558 407756433 /nfs/dbraw/zinc/75/64/33/407756433.db2.gz XYDGKUGIDZIQTP-UHFFFAOYSA-N 2 2 319.365 1.115 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000264365584 408461786 /nfs/dbraw/zinc/46/17/86/408461786.db2.gz IJRFVSITUTXNFL-UHFFFAOYSA-N 2 2 317.437 1.833 20 30 DDEDLP COCCN(CC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000349293603 409782849 /nfs/dbraw/zinc/78/28/49/409782849.db2.gz FPMTXXRZZZYDOH-UHFFFAOYSA-N 2 2 301.394 1.216 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000328916253 410010019 /nfs/dbraw/zinc/01/00/19/410010019.db2.gz RFEWPVUNPYMAQE-ZDUSSCGKSA-N 2 2 305.426 1.317 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328862088 409997263 /nfs/dbraw/zinc/99/72/63/409997263.db2.gz LZBKDTBAAOECNN-NFAWXSAZSA-N 2 2 317.437 1.606 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646980 410160673 /nfs/dbraw/zinc/16/06/73/410160673.db2.gz LEUVQZVIOJONDP-HNNXBMFYSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646980 410160677 /nfs/dbraw/zinc/16/06/77/410160677.db2.gz LEUVQZVIOJONDP-HNNXBMFYSA-N 2 2 311.470 1.188 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428207 410181291 /nfs/dbraw/zinc/18/12/91/410181291.db2.gz PEOJRGWZQHHRAK-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428207 410181295 /nfs/dbraw/zinc/18/12/95/410181295.db2.gz PEOJRGWZQHHRAK-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428207 410181301 /nfs/dbraw/zinc/18/13/01/410181301.db2.gz PEOJRGWZQHHRAK-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428207 410181306 /nfs/dbraw/zinc/18/13/06/410181306.db2.gz PEOJRGWZQHHRAK-RDJZCZTQSA-N 2 2 306.454 1.412 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cscc1C#N ZINC000340299618 410836941 /nfs/dbraw/zinc/83/69/41/410836941.db2.gz HREICVSYEZTSOV-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cscc1C#N ZINC000340299618 410836946 /nfs/dbraw/zinc/83/69/46/410836946.db2.gz HREICVSYEZTSOV-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360926900 418547945 /nfs/dbraw/zinc/54/79/45/418547945.db2.gz LAQDZKICTARUGD-BRWVUGGUSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360926900 418547946 /nfs/dbraw/zinc/54/79/46/418547946.db2.gz LAQDZKICTARUGD-BRWVUGGUSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360926900 418547949 /nfs/dbraw/zinc/54/79/49/418547949.db2.gz LAQDZKICTARUGD-BRWVUGGUSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360926900 418547950 /nfs/dbraw/zinc/54/79/50/418547950.db2.gz LAQDZKICTARUGD-BRWVUGGUSA-N 2 2 305.466 1.827 20 30 DDEDLP CCCOc1ccc(/C=[NH+]/CCN2CC[NH+](C)CC2)c(O)c1 ZINC000193057972 222142993 /nfs/dbraw/zinc/14/29/93/222142993.db2.gz PSIGEUYAVGJSCZ-NBVRZTHBSA-N 2 2 305.422 1.847 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000424062378 228224324 /nfs/dbraw/zinc/22/43/24/228224324.db2.gz VFQUQAQRYKJNFJ-AWEZNQCLSA-N 2 2 301.394 1.319 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000424145947 228236014 /nfs/dbraw/zinc/23/60/14/228236014.db2.gz ZXOLTCILWAFMAI-MRXNPFEDSA-N 2 2 311.389 1.569 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448975796 420926200 /nfs/dbraw/zinc/92/62/00/420926200.db2.gz QMFLLZNUUDLGKL-UHFFFAOYSA-N 2 2 317.437 1.293 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448975796 420926201 /nfs/dbraw/zinc/92/62/01/420926201.db2.gz QMFLLZNUUDLGKL-UHFFFAOYSA-N 2 2 317.437 1.293 20 30 DDEDLP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCOCC1 ZINC000262199216 295005215 /nfs/dbraw/zinc/00/52/15/295005215.db2.gz CXUPTALOCGVIMA-AWEZNQCLSA-N 2 2 306.410 1.454 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200045 298136579 /nfs/dbraw/zinc/13/65/79/298136579.db2.gz ONWANKPUJJRWIC-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200045 298136581 /nfs/dbraw/zinc/13/65/81/298136581.db2.gz ONWANKPUJJRWIC-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245437647 341294000 /nfs/dbraw/zinc/29/40/00/341294000.db2.gz RPEGAIMQTABRKI-UKPHBRMFSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245437647 341294001 /nfs/dbraw/zinc/29/40/01/341294001.db2.gz RPEGAIMQTABRKI-UKPHBRMFSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245437647 341294002 /nfs/dbraw/zinc/29/40/02/341294002.db2.gz RPEGAIMQTABRKI-UKPHBRMFSA-N 2 2 306.454 1.457 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245437647 341294003 /nfs/dbraw/zinc/29/40/03/341294003.db2.gz RPEGAIMQTABRKI-UKPHBRMFSA-N 2 2 306.454 1.457 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491655728 526805554 /nfs/dbraw/zinc/80/55/54/526805554.db2.gz CMQGGULOIIYLMH-UHFFFAOYSA-N 2 2 324.428 1.545 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491655728 526805561 /nfs/dbraw/zinc/80/55/61/526805561.db2.gz CMQGGULOIIYLMH-UHFFFAOYSA-N 2 2 324.428 1.545 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000491179640 526949526 /nfs/dbraw/zinc/94/95/26/526949526.db2.gz GRDWGJKAPBHFIB-ZDUSSCGKSA-N 2 2 321.371 1.393 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274177 696724964 /nfs/dbraw/zinc/72/49/64/696724964.db2.gz MIHWOGSAEWHNDB-JYJNAYRXSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980274177 696724967 /nfs/dbraw/zinc/72/49/67/696724967.db2.gz MIHWOGSAEWHNDB-JYJNAYRXSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737725 695076998 /nfs/dbraw/zinc/07/69/98/695076998.db2.gz ZGRHKKWRDHVDTB-KBPBESRZSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737725 695077002 /nfs/dbraw/zinc/07/70/02/695077002.db2.gz ZGRHKKWRDHVDTB-KBPBESRZSA-N 2 2 301.862 1.858 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118481 697034803 /nfs/dbraw/zinc/03/48/03/697034803.db2.gz UNSGEVVLKTVOCO-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000982118481 697034806 /nfs/dbraw/zinc/03/48/06/697034806.db2.gz UNSGEVVLKTVOCO-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985509722 697522523 /nfs/dbraw/zinc/52/25/23/697522523.db2.gz VVVFYUMWBVYSFW-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000985509722 697522524 /nfs/dbraw/zinc/52/25/24/697522524.db2.gz VVVFYUMWBVYSFW-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986605536 697850153 /nfs/dbraw/zinc/85/01/53/697850153.db2.gz XYRKLKPTCQJLOP-CHWSQXEVSA-N 2 2 310.829 1.684 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730280041 699506226 /nfs/dbraw/zinc/50/62/26/699506226.db2.gz YIDOKBKYHLRONF-ZACQAIPSSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730280041 699506228 /nfs/dbraw/zinc/50/62/28/699506228.db2.gz YIDOKBKYHLRONF-ZACQAIPSSA-N 2 2 319.493 1.957 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708523 704103806 /nfs/dbraw/zinc/10/38/06/704103806.db2.gz CUZDDYPCJUMMJR-ROUUACIJSA-N 2 2 315.417 1.123 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708523 704103807 /nfs/dbraw/zinc/10/38/07/704103807.db2.gz CUZDDYPCJUMMJR-ROUUACIJSA-N 2 2 315.417 1.123 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865451328 706435198 /nfs/dbraw/zinc/43/51/98/706435198.db2.gz YSYARCPMOUEMEM-SJORKVTESA-N 2 2 314.433 1.577 20 30 DDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865451328 706435201 /nfs/dbraw/zinc/43/52/01/706435201.db2.gz YSYARCPMOUEMEM-SJORKVTESA-N 2 2 314.433 1.577 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(C#N)c1 ZINC000865799658 706530054 /nfs/dbraw/zinc/53/00/54/706530054.db2.gz RNQXJMFBBJVUEU-UHFFFAOYSA-N 2 2 304.394 1.249 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(C#N)c1 ZINC000865799658 706530058 /nfs/dbraw/zinc/53/00/58/706530058.db2.gz RNQXJMFBBJVUEU-UHFFFAOYSA-N 2 2 304.394 1.249 20 30 DDEDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000883161676 707944289 /nfs/dbraw/zinc/94/42/89/707944289.db2.gz YBSOWSFZHAPOAJ-MRXNPFEDSA-N 2 2 305.422 1.749 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792523 710902563 /nfs/dbraw/zinc/90/25/63/710902563.db2.gz BHEZZJHCRBRKFT-UKRRQHHQSA-N 2 2 315.421 1.191 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792523 710902566 /nfs/dbraw/zinc/90/25/66/710902566.db2.gz BHEZZJHCRBRKFT-UKRRQHHQSA-N 2 2 315.421 1.191 20 30 DDEDLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1O ZINC000895163259 711438694 /nfs/dbraw/zinc/43/86/94/711438694.db2.gz SOZUSZHZUACQQH-QGZVFWFLSA-N 2 2 317.433 1.663 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000913817187 713305395 /nfs/dbraw/zinc/30/53/95/713305395.db2.gz KWALVUGCGWFGPT-INIZCTEOSA-N 2 2 305.397 1.807 20 30 DDEDLP C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934464122 714826975 /nfs/dbraw/zinc/82/69/75/714826975.db2.gz MPBXMIZAPBOHDL-HOTGVXAUSA-N 2 2 314.433 1.769 20 30 DDEDLP C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934464122 714826977 /nfs/dbraw/zinc/82/69/77/714826977.db2.gz MPBXMIZAPBOHDL-HOTGVXAUSA-N 2 2 314.433 1.769 20 30 DDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000961893474 717240619 /nfs/dbraw/zinc/24/06/19/717240619.db2.gz BJTLCDBXMXOWEZ-VQFNDLOPSA-N 2 2 321.384 1.070 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000961893474 717240624 /nfs/dbraw/zinc/24/06/24/717240624.db2.gz BJTLCDBXMXOWEZ-VQFNDLOPSA-N 2 2 321.384 1.070 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942172282 717523361 /nfs/dbraw/zinc/52/33/61/717523361.db2.gz BRJPBUWHVIMRGG-ZBFHGGJFSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942172282 717523367 /nfs/dbraw/zinc/52/33/67/717523367.db2.gz BRJPBUWHVIMRGG-ZBFHGGJFSA-N 2 2 315.417 1.483 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942206850 717548078 /nfs/dbraw/zinc/54/80/78/717548078.db2.gz GAQZUNLBXYZHLQ-JSGCOSHPSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942206850 717548081 /nfs/dbraw/zinc/54/80/81/717548081.db2.gz GAQZUNLBXYZHLQ-JSGCOSHPSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942533174 717725720 /nfs/dbraw/zinc/72/57/20/717725720.db2.gz WSUUMZZHAVUGNE-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942533174 717725723 /nfs/dbraw/zinc/72/57/23/717725723.db2.gz WSUUMZZHAVUGNE-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082539 718760553 /nfs/dbraw/zinc/76/05/53/718760553.db2.gz DFIMZBXQONOFMQ-WFASDCNBSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082539 718760558 /nfs/dbraw/zinc/76/05/58/718760558.db2.gz DFIMZBXQONOFMQ-WFASDCNBSA-N 2 2 306.410 1.362 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058891 719406252 /nfs/dbraw/zinc/40/62/52/719406252.db2.gz NJXDVQJEUHJUPV-GOEBONIOSA-N 2 2 317.433 1.805 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058891 719406253 /nfs/dbraw/zinc/40/62/53/719406253.db2.gz NJXDVQJEUHJUPV-GOEBONIOSA-N 2 2 317.433 1.805 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654538 719718279 /nfs/dbraw/zinc/71/82/79/719718279.db2.gz BCZGXPPDIIHMTL-RISCZKNCSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654538 719718281 /nfs/dbraw/zinc/71/82/81/719718281.db2.gz BCZGXPPDIIHMTL-RISCZKNCSA-N 2 2 310.829 1.771 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969838258 720528331 /nfs/dbraw/zinc/52/83/31/720528331.db2.gz XNZFMVSCRGKFKZ-DZGCQCFKSA-N 2 2 300.406 1.220 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970327006 720712560 /nfs/dbraw/zinc/71/25/60/720712560.db2.gz YMWVSWLDTHNVJZ-MJBXVCDLSA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970327006 720712563 /nfs/dbraw/zinc/71/25/63/720712563.db2.gz YMWVSWLDTHNVJZ-MJBXVCDLSA-N 2 2 313.873 1.906 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022978193 734977867 /nfs/dbraw/zinc/97/78/67/734977867.db2.gz TXBDAMINQVFESY-IYBDPMFKSA-N 2 2 323.400 1.271 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468699 735043780 /nfs/dbraw/zinc/04/37/80/735043780.db2.gz QAKGFZQNYOWKNT-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024517327 735895428 /nfs/dbraw/zinc/89/54/28/735895428.db2.gz SQKIVMPKVKBEEW-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024517327 735895432 /nfs/dbraw/zinc/89/54/32/735895432.db2.gz SQKIVMPKVKBEEW-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007519016 736374090 /nfs/dbraw/zinc/37/40/90/736374090.db2.gz GUQWPPXKBYJNEF-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007519016 736374092 /nfs/dbraw/zinc/37/40/92/736374092.db2.gz GUQWPPXKBYJNEF-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001007519016 736374094 /nfs/dbraw/zinc/37/40/94/736374094.db2.gz GUQWPPXKBYJNEF-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001007519016 736374096 /nfs/dbraw/zinc/37/40/96/736374096.db2.gz GUQWPPXKBYJNEF-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]12 ZINC001026252458 737250192 /nfs/dbraw/zinc/25/01/92/737250192.db2.gz RHEPFXPJXFBUMA-HZSPNIEDSA-N 2 2 322.840 1.921 20 30 DDEDLP C=CC[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001026514876 737628761 /nfs/dbraw/zinc/62/87/61/737628761.db2.gz VEXKEXNOFYUZTD-UHFFFAOYSA-N 2 2 303.406 1.836 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640329 739833028 /nfs/dbraw/zinc/83/30/28/739833028.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640329 739833036 /nfs/dbraw/zinc/83/30/36/739833036.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640329 739833044 /nfs/dbraw/zinc/83/30/44/739833044.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640329 739833050 /nfs/dbraw/zinc/83/30/50/739833050.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718533 739952111 /nfs/dbraw/zinc/95/21/11/739952111.db2.gz ILRXYIQXLDJZSO-INIZCTEOSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028718533 739952115 /nfs/dbraw/zinc/95/21/15/739952115.db2.gz ILRXYIQXLDJZSO-INIZCTEOSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903291 740158349 /nfs/dbraw/zinc/15/83/49/740158349.db2.gz QRRVWWSZBZXYJE-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903291 740158353 /nfs/dbraw/zinc/15/83/53/740158353.db2.gz QRRVWWSZBZXYJE-MRXNPFEDSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135651 741054691 /nfs/dbraw/zinc/05/46/91/741054691.db2.gz UZGZUHIAOODNJG-XHSDSOJGSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135651 741054698 /nfs/dbraw/zinc/05/46/98/741054698.db2.gz UZGZUHIAOODNJG-XHSDSOJGSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135651 741054701 /nfs/dbraw/zinc/05/47/01/741054701.db2.gz UZGZUHIAOODNJG-XHSDSOJGSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135651 741054706 /nfs/dbraw/zinc/05/47/06/741054706.db2.gz UZGZUHIAOODNJG-XHSDSOJGSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337460 741410198 /nfs/dbraw/zinc/41/01/98/741410198.db2.gz GPJGTJWGOQFGCK-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001184575966 744063681 /nfs/dbraw/zinc/06/36/81/744063681.db2.gz LWXMEIPKXXJDHF-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001184575966 744063686 /nfs/dbraw/zinc/06/36/86/744063686.db2.gz LWXMEIPKXXJDHF-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184902156 744123241 /nfs/dbraw/zinc/12/32/41/744123241.db2.gz GVSJZEJAIMYKFR-HOTGVXAUSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185786808 744285619 /nfs/dbraw/zinc/28/56/19/744285619.db2.gz BGVULQFVTXUEGW-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001030659670 744398309 /nfs/dbraw/zinc/39/83/09/744398309.db2.gz GFGHCKNXYAWSFK-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814524 744991199 /nfs/dbraw/zinc/99/11/99/744991199.db2.gz HULJLIVOOBNTHG-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260631 745165692 /nfs/dbraw/zinc/16/56/92/745165692.db2.gz VMPXHYHCVIQWSM-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260631 745165694 /nfs/dbraw/zinc/16/56/94/745165694.db2.gz VMPXHYHCVIQWSM-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C/C=C\Cl)C1 ZINC001190724968 745306990 /nfs/dbraw/zinc/30/69/90/745306990.db2.gz OIGYCMXLSPENQD-PYMSSDGJSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001190724968 745306996 /nfs/dbraw/zinc/30/69/96/745306996.db2.gz OIGYCMXLSPENQD-PYMSSDGJSA-N 2 2 309.841 1.369 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010405 745404165 /nfs/dbraw/zinc/40/41/65/745404165.db2.gz LVAMDHUJXBIHKC-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010405 745404168 /nfs/dbraw/zinc/40/41/68/745404168.db2.gz LVAMDHUJXBIHKC-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577388 745828857 /nfs/dbraw/zinc/82/88/57/745828857.db2.gz GEKQZILCMMFZHB-CVEARBPZSA-N 2 2 318.421 1.017 20 30 DDEDLP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577388 745828864 /nfs/dbraw/zinc/82/88/64/745828864.db2.gz GEKQZILCMMFZHB-CVEARBPZSA-N 2 2 318.421 1.017 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106747951 746024306 /nfs/dbraw/zinc/02/43/06/746024306.db2.gz AUNCVRMRDNLPHI-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106747951 746024310 /nfs/dbraw/zinc/02/43/10/746024310.db2.gz AUNCVRMRDNLPHI-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294968 746348274 /nfs/dbraw/zinc/34/82/74/746348274.db2.gz NUFFFFHBONFXEV-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294968 746348282 /nfs/dbraw/zinc/34/82/82/746348282.db2.gz NUFFFFHBONFXEV-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994235611 746501801 /nfs/dbraw/zinc/50/18/01/746501801.db2.gz WTAYQFXQYVBHRW-HOCLYGCPSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994235611 746501804 /nfs/dbraw/zinc/50/18/04/746501804.db2.gz WTAYQFXQYVBHRW-HOCLYGCPSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036036563 752143036 /nfs/dbraw/zinc/14/30/36/752143036.db2.gz YCNUNKVNUWKMCS-CZUORRHYSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001007518845 752185920 /nfs/dbraw/zinc/18/59/20/752185920.db2.gz FZVZVZDMWFKGTN-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001007518845 752185930 /nfs/dbraw/zinc/18/59/30/752185930.db2.gz FZVZVZDMWFKGTN-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(=C)C)C1 ZINC001007518845 752185931 /nfs/dbraw/zinc/18/59/31/752185931.db2.gz FZVZVZDMWFKGTN-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(=C)C)C1 ZINC001007518845 752185938 /nfs/dbraw/zinc/18/59/38/752185938.db2.gz FZVZVZDMWFKGTN-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001200657754 748318308 /nfs/dbraw/zinc/31/83/08/748318308.db2.gz AQDWTMGKRUBXSP-UHFFFAOYSA-N 2 2 314.433 1.366 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)nc3[nH]cc(C#N)c32)CC1 ZINC001168736240 748444911 /nfs/dbraw/zinc/44/49/11/748444911.db2.gz ZPDLBHWSFANEAL-UHFFFAOYSA-N 2 2 317.784 1.682 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871154 748509436 /nfs/dbraw/zinc/50/94/36/748509436.db2.gz XRQFYQQSZOLKLB-SVGFKBNWSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871154 748509442 /nfs/dbraw/zinc/50/94/42/748509442.db2.gz XRQFYQQSZOLKLB-SVGFKBNWSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525174 748541224 /nfs/dbraw/zinc/54/12/24/748541224.db2.gz QMJIUFAKKNONKT-GJZGRUSLSA-N 2 2 306.410 1.227 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524925 748541399 /nfs/dbraw/zinc/54/13/99/748541399.db2.gz NHWDLKHQQXZVBY-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585742 748569259 /nfs/dbraw/zinc/56/92/59/748569259.db2.gz JZLUOKHAMJZJIL-OAHLLOKOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585742 748569265 /nfs/dbraw/zinc/56/92/65/748569265.db2.gz JZLUOKHAMJZJIL-OAHLLOKOSA-N 2 2 302.422 1.841 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004625502 748591225 /nfs/dbraw/zinc/59/12/25/748591225.db2.gz VIZGLZOPVYTEHR-CVEARBPZSA-N 2 2 304.438 1.165 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004625502 748591229 /nfs/dbraw/zinc/59/12/29/748591229.db2.gz VIZGLZOPVYTEHR-CVEARBPZSA-N 2 2 304.438 1.165 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004625502 748591233 /nfs/dbraw/zinc/59/12/33/748591233.db2.gz VIZGLZOPVYTEHR-CVEARBPZSA-N 2 2 304.438 1.165 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004625502 748591239 /nfs/dbraw/zinc/59/12/39/748591239.db2.gz VIZGLZOPVYTEHR-CVEARBPZSA-N 2 2 304.438 1.165 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039274890 761905134 /nfs/dbraw/zinc/90/51/34/761905134.db2.gz PBMRCOZKFISIBC-GOOCMWNKSA-N 2 2 300.406 1.477 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413161 749308526 /nfs/dbraw/zinc/30/85/26/749308526.db2.gz DFZHZOSDDQVMQN-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413161 749308534 /nfs/dbraw/zinc/30/85/34/749308534.db2.gz DFZHZOSDDQVMQN-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995978286 749312303 /nfs/dbraw/zinc/31/23/03/749312303.db2.gz HNUNSCUVBZOSGI-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895391 749650828 /nfs/dbraw/zinc/65/08/28/749650828.db2.gz DGVAAJJELQGAEC-IVSAIRAKSA-N 2 2 312.417 1.063 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089895391 749650833 /nfs/dbraw/zinc/65/08/33/749650833.db2.gz DGVAAJJELQGAEC-IVSAIRAKSA-N 2 2 312.417 1.063 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437975 749897636 /nfs/dbraw/zinc/89/76/36/749897636.db2.gz RLTFKYVWNGXLGX-ZSAUSMIDSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437975 749897642 /nfs/dbraw/zinc/89/76/42/749897642.db2.gz RLTFKYVWNGXLGX-ZSAUSMIDSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095437975 749897649 /nfs/dbraw/zinc/89/76/49/749897649.db2.gz RLTFKYVWNGXLGX-ZSAUSMIDSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095437975 749897656 /nfs/dbraw/zinc/89/76/56/749897656.db2.gz RLTFKYVWNGXLGX-ZSAUSMIDSA-N 2 2 311.857 1.801 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876418 750013543 /nfs/dbraw/zinc/01/35/43/750013543.db2.gz BFBLXMMCQLRRBD-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876418 750013548 /nfs/dbraw/zinc/01/35/48/750013548.db2.gz BFBLXMMCQLRRBD-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879030 750013937 /nfs/dbraw/zinc/01/39/37/750013937.db2.gz OKZPUWXPGSSDME-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879030 750013945 /nfs/dbraw/zinc/01/39/45/750013945.db2.gz OKZPUWXPGSSDME-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646042 750107639 /nfs/dbraw/zinc/10/76/39/750107639.db2.gz ORKITHVEPPXPLR-JHNDHUHGSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646042 750107643 /nfs/dbraw/zinc/10/76/43/750107643.db2.gz ORKITHVEPPXPLR-JHNDHUHGSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001034673420 750656361 /nfs/dbraw/zinc/65/63/61/750656361.db2.gz AFDHWYAIGZQARU-KKUMJFAQSA-N 2 2 300.406 1.096 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005606747 750696102 /nfs/dbraw/zinc/69/61/02/750696102.db2.gz PXBHUQBFPPLRKP-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005618305 750708706 /nfs/dbraw/zinc/70/87/06/750708706.db2.gz RDOKDFMFXNMNHK-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001034768360 750837829 /nfs/dbraw/zinc/83/78/29/750837829.db2.gz GFVUNFKKNRJRCY-SHTZXODSSA-N 2 2 323.400 1.531 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910947 750951320 /nfs/dbraw/zinc/95/13/20/750951320.db2.gz FMIZALYORACCII-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910947 750951324 /nfs/dbraw/zinc/95/13/24/750951324.db2.gz FMIZALYORACCII-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420028 762118850 /nfs/dbraw/zinc/11/88/50/762118850.db2.gz VMGFTNGUFBQNBK-QGZVFWFLSA-N 2 2 309.454 1.256 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420028 762118858 /nfs/dbraw/zinc/11/88/58/762118858.db2.gz VMGFTNGUFBQNBK-QGZVFWFLSA-N 2 2 309.454 1.256 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999169346 752596878 /nfs/dbraw/zinc/59/68/78/752596878.db2.gz PKJBOVQPZHZIJN-UYSNPLJNSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999169346 752596885 /nfs/dbraw/zinc/59/68/85/752596885.db2.gz PKJBOVQPZHZIJN-UYSNPLJNSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999534622 752979498 /nfs/dbraw/zinc/97/94/98/752979498.db2.gz GQSHNCGDXLZNAS-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999543704 752986128 /nfs/dbraw/zinc/98/61/28/752986128.db2.gz XXDUXXBPKPDZEC-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999543704 752986130 /nfs/dbraw/zinc/98/61/30/752986130.db2.gz XXDUXXBPKPDZEC-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001010370096 753824673 /nfs/dbraw/zinc/82/46/73/753824673.db2.gz STONZXWOWRWJCV-ZWKOTPCHSA-N 2 2 311.429 1.323 20 30 DDEDLP 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ZINC001079993291 755669349 /nfs/dbraw/zinc/66/93/49/755669349.db2.gz FOWJZSDFTGFAMN-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993291 755669351 /nfs/dbraw/zinc/66/93/51/755669351.db2.gz FOWJZSDFTGFAMN-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993291 755669355 /nfs/dbraw/zinc/66/93/55/755669355.db2.gz FOWJZSDFTGFAMN-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993291 755669358 /nfs/dbraw/zinc/66/93/58/755669358.db2.gz FOWJZSDFTGFAMN-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080209839 755765478 /nfs/dbraw/zinc/76/54/78/755765478.db2.gz FLTQCXFBGSTQGZ-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080209839 755765482 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C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533214 872418955 /nfs/dbraw/zinc/41/89/55/872418955.db2.gz BJSUSTJWNGLNOQ-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533214 872418963 /nfs/dbraw/zinc/41/89/63/872418963.db2.gz BJSUSTJWNGLNOQ-CQSZACIVSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001319102293 872439676 /nfs/dbraw/zinc/43/96/76/872439676.db2.gz RTDTVNSJMRCQLT-IAGOWNOFSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001319102293 872439682 /nfs/dbraw/zinc/43/96/82/872439682.db2.gz RTDTVNSJMRCQLT-IAGOWNOFSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001319516316 872670475 /nfs/dbraw/zinc/67/04/75/872670475.db2.gz WUHLMFJZADJPSS-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001319516316 872670487 /nfs/dbraw/zinc/67/04/87/872670487.db2.gz WUHLMFJZADJPSS-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276549988 873659222 /nfs/dbraw/zinc/65/92/22/873659222.db2.gz YOWWFOCKXMBVDN-KRWDZBQOSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276549988 873659225 /nfs/dbraw/zinc/65/92/25/873659225.db2.gz YOWWFOCKXMBVDN-KRWDZBQOSA-N 2 2 309.454 1.208 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC001346277334 873682049 /nfs/dbraw/zinc/68/20/49/873682049.db2.gz WBPURZBHOGUCGT-SFHVURJKSA-N 2 2 316.445 1.730 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738476 874431215 /nfs/dbraw/zinc/43/12/15/874431215.db2.gz OSMKHGLSPLRBCK-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738476 874431221 /nfs/dbraw/zinc/43/12/21/874431221.db2.gz OSMKHGLSPLRBCK-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210901430 875590683 /nfs/dbraw/zinc/59/06/83/875590683.db2.gz ZMRJXDGCBHLYBH-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294047 875746800 /nfs/dbraw/zinc/74/68/00/875746800.db2.gz XICMNBIZGHMKOL-DLBZAZTESA-N 2 2 314.433 1.288 20 30 DDEDLP N#Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1N1CCCCC1 ZINC001218944989 877825084 /nfs/dbraw/zinc/82/50/84/877825084.db2.gz RVMKREUYDOMALL-GJZGRUSLSA-N 2 2 313.405 1.034 20 30 DDEDLP CSc1nc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222094357 880239999 /nfs/dbraw/zinc/23/99/99/880239999.db2.gz CUMATMLRBDCPES-UHFFFAOYSA-N 2 2 317.462 1.203 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840081 883197845 /nfs/dbraw/zinc/19/78/45/883197845.db2.gz XXLSREPVIJTISS-HZPDHXFCSA-N 2 2 320.437 1.493 20 30 DDEDLP CC[N@H+](C)CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001277393179 884012388 /nfs/dbraw/zinc/01/23/88/884012388.db2.gz FTRWFJUBQKRYFC-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[N@@H+](C)CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001277393179 884012407 /nfs/dbraw/zinc/01/24/07/884012407.db2.gz FTRWFJUBQKRYFC-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+](C)CCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001277393179 884012418 /nfs/dbraw/zinc/01/24/18/884012418.db2.gz FTRWFJUBQKRYFC-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+](C)CCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001277393179 884012434 /nfs/dbraw/zinc/01/24/34/884012434.db2.gz FTRWFJUBQKRYFC-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230378845 884457669 /nfs/dbraw/zinc/45/76/69/884457669.db2.gz VTXUDACVIUUMAT-MRXNPFEDSA-N 2 2 302.422 1.451 20 30 DDEDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C#N)cs2)CC1 ZINC001363261138 885847973 /nfs/dbraw/zinc/84/79/73/885847973.db2.gz DVUHJYCODCIXHI-UHFFFAOYSA-N 2 2 307.467 1.520 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403356 887937804 /nfs/dbraw/zinc/93/78/04/887937804.db2.gz USYUFTMPVIBHQT-HUUCEWRRSA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234403356 887937814 /nfs/dbraw/zinc/93/78/14/887937814.db2.gz USYUFTMPVIBHQT-HUUCEWRRSA-N 2 2 302.422 1.563 20 30 DDEDLP CC1(C)[NH2+][C@@H](CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)CO1 ZINC001235695014 888887818 /nfs/dbraw/zinc/88/78/18/888887818.db2.gz YATGFRVMFKYAQE-INIZCTEOSA-N 2 2 314.433 1.795 20 30 DDEDLP C=C[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245980294 892297497 /nfs/dbraw/zinc/29/74/97/892297497.db2.gz IGEGLRWOLVXXHR-HOTGVXAUSA-N 2 2 306.406 1.364 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246302440 892525956 /nfs/dbraw/zinc/52/59/56/892525956.db2.gz CRJODTAITJHLTI-NXOAAHMSSA-N 2 2 323.481 1.818 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246302440 892525972 /nfs/dbraw/zinc/52/59/72/892525972.db2.gz CRJODTAITJHLTI-NXOAAHMSSA-N 3 2 323.481 1.818 20 30 DDEDLP C=C[C@](C)(O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252550683 895263168 /nfs/dbraw/zinc/26/31/68/895263168.db2.gz NRXYRAGYUDXVFQ-KRWDZBQOSA-N 2 2 319.453 1.059 20 30 DDEDLP C=C[C@](C)(O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252550683 895263182 /nfs/dbraw/zinc/26/31/82/895263182.db2.gz NRXYRAGYUDXVFQ-KRWDZBQOSA-N 2 2 319.453 1.059 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001367018147 895586332 /nfs/dbraw/zinc/58/63/32/895586332.db2.gz ISYJQILFOJERRX-ZDUSSCGKSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001367018147 895586340 /nfs/dbraw/zinc/58/63/40/895586340.db2.gz ISYJQILFOJERRX-ZDUSSCGKSA-N 2 2 315.845 1.040 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258729768 898305159 /nfs/dbraw/zinc/30/51/59/898305159.db2.gz YGQBUAOHARPJLP-MRXNPFEDSA-N 2 2 317.481 1.801 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001258729768 898305170 /nfs/dbraw/zinc/30/51/70/898305170.db2.gz YGQBUAOHARPJLP-MRXNPFEDSA-N 2 2 317.481 1.801 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264481249 901143377 /nfs/dbraw/zinc/14/33/77/901143377.db2.gz PUTMVKQWSBAJIJ-QLFBSQMISA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264481249 901143387 /nfs/dbraw/zinc/14/33/87/901143387.db2.gz PUTMVKQWSBAJIJ-QLFBSQMISA-N 2 2 302.422 1.486 20 30 DDEDLP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264551880 901178868 /nfs/dbraw/zinc/17/88/68/901178868.db2.gz AOAWTPVXEOALLL-LXTVHRRPSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264551880 901178874 /nfs/dbraw/zinc/17/88/74/901178874.db2.gz AOAWTPVXEOALLL-LXTVHRRPSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989422 902718109 /nfs/dbraw/zinc/71/81/09/902718109.db2.gz DXVSOCXMQVPIQF-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001281063467 904368222 /nfs/dbraw/zinc/36/82/22/904368222.db2.gz PUGPZRXPKKGEJL-SFHVURJKSA-N 2 2 322.412 1.368 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001281063467 904368238 /nfs/dbraw/zinc/36/82/38/904368238.db2.gz PUGPZRXPKKGEJL-SFHVURJKSA-N 2 2 322.412 1.368 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571466 905044590 /nfs/dbraw/zinc/04/45/90/905044590.db2.gz JMLMXOGDNBRDSZ-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571466 905044609 /nfs/dbraw/zinc/04/46/09/905044609.db2.gz JMLMXOGDNBRDSZ-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571466 905044629 /nfs/dbraw/zinc/04/46/29/905044629.db2.gz JMLMXOGDNBRDSZ-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571466 905044648 /nfs/dbraw/zinc/04/46/48/905044648.db2.gz JMLMXOGDNBRDSZ-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001282015133 905408825 /nfs/dbraw/zinc/40/88/25/905408825.db2.gz DYMFAVDAXYUDKG-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001372238731 906788262 /nfs/dbraw/zinc/78/82/62/906788262.db2.gz HGVOWEXMMGIURC-AWEZNQCLSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001372238731 906788272 /nfs/dbraw/zinc/78/82/72/906788272.db2.gz HGVOWEXMMGIURC-AWEZNQCLSA-N 2 2 301.862 1.907 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001284535974 909154290 /nfs/dbraw/zinc/15/42/90/909154290.db2.gz CYLWXBJYLOXAON-INIZCTEOSA-N 2 2 316.449 1.638 20 30 DDEDLP C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001284535974 909154299 /nfs/dbraw/zinc/15/42/99/909154299.db2.gz CYLWXBJYLOXAON-INIZCTEOSA-N 2 2 316.449 1.638 20 30 DDEDLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000305760240 231043346 /nfs/dbraw/zinc/04/33/46/231043346.db2.gz CANLKYCNNMMFAD-GOSISDBHSA-N 3 2 316.449 1.035 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000314948070 354489634 /nfs/dbraw/zinc/48/96/34/354489634.db2.gz LCJUCGWXSOIUIT-DZGCQCFKSA-N 2 2 300.362 1.173 20 30 DDEDLP N#CC1(CCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000331904570 283044373 /nfs/dbraw/zinc/04/43/73/283044373.db2.gz WUVOVTHNEWESHI-UHFFFAOYSA-N 2 2 317.437 1.628 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#N)n1 ZINC000589611729 355005379 /nfs/dbraw/zinc/00/53/79/355005379.db2.gz WDUDBUWTTQWDOC-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#N)n1 ZINC000589611729 355005382 /nfs/dbraw/zinc/00/53/82/355005382.db2.gz WDUDBUWTTQWDOC-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP C=C[C@@H](C(=O)OC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000591478041 355320962 /nfs/dbraw/zinc/32/09/62/355320962.db2.gz OEJPEAFFRVLCAM-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C[C@@H](C(=O)OC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000591478041 355320967 /nfs/dbraw/zinc/32/09/67/355320967.db2.gz OEJPEAFFRVLCAM-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c(F)cccc1C#N ZINC000597990495 357408090 /nfs/dbraw/zinc/40/80/90/357408090.db2.gz XFMNKQXLPGQLKG-UHFFFAOYSA-N 2 2 320.412 1.240 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c(F)cccc1C#N ZINC000597990495 357408094 /nfs/dbraw/zinc/40/80/94/357408094.db2.gz XFMNKQXLPGQLKG-UHFFFAOYSA-N 2 2 320.412 1.240 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000598614288 357654316 /nfs/dbraw/zinc/65/43/16/357654316.db2.gz CHFVBYBJDVRNIU-CVEARBPZSA-N 2 2 309.454 1.474 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000598614288 357654318 /nfs/dbraw/zinc/65/43/18/357654318.db2.gz CHFVBYBJDVRNIU-CVEARBPZSA-N 2 2 309.454 1.474 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000600717277 358293310 /nfs/dbraw/zinc/29/33/10/358293310.db2.gz JOKSBVIVBIGGBW-OAHLLOKOSA-N 2 2 323.506 1.992 20 30 DDEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721860 358295847 /nfs/dbraw/zinc/29/58/47/358295847.db2.gz OAVGOAOILUWNJT-JKSUJKDBSA-N 2 2 311.470 1.624 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600732084 358300461 /nfs/dbraw/zinc/30/04/61/358300461.db2.gz WRUTUHMQZBPUGZ-FVQBIDKESA-N 2 2 307.438 1.130 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600732084 358300465 /nfs/dbraw/zinc/30/04/65/358300465.db2.gz WRUTUHMQZBPUGZ-FVQBIDKESA-N 2 2 307.438 1.130 20 30 DDEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)OC ZINC000619701397 364119957 /nfs/dbraw/zinc/11/99/57/364119957.db2.gz HNNBPPZIOLUHEK-OAHLLOKOSA-N 2 2 321.421 1.821 20 30 DDEDLP C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000566088943 304115450 /nfs/dbraw/zinc/11/54/50/304115450.db2.gz RLJCBFMZSMFTSP-IAOVAPTHSA-N 2 2 312.417 1.389 20 30 DDEDLP C=CCN1CC[C@@H]([NH+]2CCC(CC)([NH+]3CCOCC3)CC2)C1=O ZINC000626089533 367333183 /nfs/dbraw/zinc/33/31/83/367333183.db2.gz UUSHNTWQBCTLBP-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000266181828 205164534 /nfs/dbraw/zinc/16/45/34/205164534.db2.gz SKESMICZFMOAKQ-ZDUSSCGKSA-N 2 2 300.406 1.959 20 30 DDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268908195 207078093 /nfs/dbraw/zinc/07/80/93/207078093.db2.gz MIGAACNGKNRFHZ-WBVHZDCISA-N 2 2 301.434 1.595 20 30 DDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268908195 207078096 /nfs/dbraw/zinc/07/80/96/207078096.db2.gz MIGAACNGKNRFHZ-WBVHZDCISA-N 2 2 301.434 1.595 20 30 DDEDLP CCOCCCNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000104176252 407348628 /nfs/dbraw/zinc/34/86/28/407348628.db2.gz CSXZFBIVZGJAIT-UHFFFAOYSA-N 2 2 301.394 1.703 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000109787116 407397806 /nfs/dbraw/zinc/39/78/06/407397806.db2.gz GVIYTYBXKDPATH-QGZVFWFLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000109787116 407397808 /nfs/dbraw/zinc/39/78/08/407397808.db2.gz GVIYTYBXKDPATH-QGZVFWFLSA-N 2 2 306.454 1.601 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000186337566 407640634 /nfs/dbraw/zinc/64/06/34/407640634.db2.gz HPJLMIPVVKWTCB-UHFFFAOYSA-N 2 2 306.410 1.337 20 30 DDEDLP C[NH+]=C(NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C)NC1CC1 ZINC000171408606 407682548 /nfs/dbraw/zinc/68/25/48/407682548.db2.gz MWYDGNYHDLURPW-AWEZNQCLSA-N 2 2 320.437 1.634 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266944762 407687351 /nfs/dbraw/zinc/68/73/51/407687351.db2.gz SHCFCDUQVSHWAG-INIZCTEOSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266944762 407687355 /nfs/dbraw/zinc/68/73/55/407687355.db2.gz SHCFCDUQVSHWAG-INIZCTEOSA-N 2 2 323.400 1.777 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000268511714 408075811 /nfs/dbraw/zinc/07/58/11/408075811.db2.gz CMDNBOOCHBGRNE-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000268511714 408075814 /nfs/dbraw/zinc/07/58/14/408075814.db2.gz CMDNBOOCHBGRNE-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C#CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000155732480 408203782 /nfs/dbraw/zinc/20/37/82/408203782.db2.gz OIJBETDFZDPGJL-UHFFFAOYSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000155732480 408203786 /nfs/dbraw/zinc/20/37/86/408203786.db2.gz OIJBETDFZDPGJL-UHFFFAOYSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176108895 408288079 /nfs/dbraw/zinc/28/80/79/408288079.db2.gz TYUBKIYOYBYDSG-UHFFFAOYSA-N 2 2 320.481 1.649 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1[nH+]ccn1C)C(C)C ZINC000264235178 408414474 /nfs/dbraw/zinc/41/44/74/408414474.db2.gz WEKLBRDJKMMPOE-OAHLLOKOSA-N 2 2 319.453 1.918 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000277260689 408907658 /nfs/dbraw/zinc/90/76/58/408907658.db2.gz QYDGJPJLBGHVHH-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000277260689 408907661 /nfs/dbraw/zinc/90/76/61/408907661.db2.gz QYDGJPJLBGHVHH-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCNC3=O)CC2)cc1 ZINC000295098492 409320964 /nfs/dbraw/zinc/32/09/64/409320964.db2.gz SJEOLFDEVNZGDN-KRWDZBQOSA-N 2 2 312.417 1.391 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000296980626 409739636 /nfs/dbraw/zinc/73/96/36/409739636.db2.gz SAXWUDMBTKJFDA-UHFFFAOYSA-N 2 2 318.421 1.062 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000296980626 409739647 /nfs/dbraw/zinc/73/96/47/409739647.db2.gz SAXWUDMBTKJFDA-UHFFFAOYSA-N 2 2 318.421 1.062 20 30 DDEDLP CC[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000328796530 409982135 /nfs/dbraw/zinc/98/21/35/409982135.db2.gz UWPTYXFTJZIIND-ZDUSSCGKSA-N 2 2 305.426 1.608 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000328882483 410002301 /nfs/dbraw/zinc/00/23/01/410002301.db2.gz XCURFBSVMLTXPD-KFWWJZLASA-N 2 2 317.437 1.750 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000328882483 410002306 /nfs/dbraw/zinc/00/23/06/410002306.db2.gz XCURFBSVMLTXPD-KFWWJZLASA-N 2 2 317.437 1.750 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354946410 410196065 /nfs/dbraw/zinc/19/60/65/410196065.db2.gz JFXVHINPAIKFDM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354946410 410196071 /nfs/dbraw/zinc/19/60/71/410196071.db2.gz JFXVHINPAIKFDM-CVEARBPZSA-N 2 2 323.481 1.595 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329750322 410431402 /nfs/dbraw/zinc/43/14/02/410431402.db2.gz UYYMVKLLGRAFTH-MCIONIFRSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329750322 410431407 /nfs/dbraw/zinc/43/14/07/410431407.db2.gz UYYMVKLLGRAFTH-MCIONIFRSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329750322 410431412 /nfs/dbraw/zinc/43/14/12/410431412.db2.gz UYYMVKLLGRAFTH-MCIONIFRSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329750322 410431415 /nfs/dbraw/zinc/43/14/15/410431415.db2.gz UYYMVKLLGRAFTH-MCIONIFRSA-N 2 2 317.437 1.740 20 30 DDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000353425924 410977285 /nfs/dbraw/zinc/97/72/85/410977285.db2.gz KNVYVZWSDLXIMP-DLBZAZTESA-N 2 2 312.417 1.475 20 30 DDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000353425924 410977292 /nfs/dbraw/zinc/97/72/92/410977292.db2.gz KNVYVZWSDLXIMP-DLBZAZTESA-N 2 2 312.417 1.475 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1cc(F)ccc1F ZINC000262249656 222273811 /nfs/dbraw/zinc/27/38/11/222273811.db2.gz DCNBKHFNFPCFEL-UHFFFAOYSA-N 2 2 300.378 1.740 20 30 DDEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000263278409 222307368 /nfs/dbraw/zinc/30/73/68/222307368.db2.gz ZFOGDVBFYDNDQR-STQMWFEESA-N 2 2 314.499 1.238 20 30 DDEDLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1ccc2c(c1)OCCCO2 ZINC000263263183 222307671 /nfs/dbraw/zinc/30/76/71/222307671.db2.gz UFEJYENSAMLAQC-UHFFFAOYSA-N 2 2 301.350 1.471 20 30 DDEDLP C(#CC[N@H+]1CCOC[C@H]1C1CC1)CN1CCOC[C@H]1C1CC1 ZINC000375298634 418626560 /nfs/dbraw/zinc/62/65/60/418626560.db2.gz YSDOVGFSKHHIAF-ROUUACIJSA-N 2 2 304.434 1.211 20 30 DDEDLP C(#CC[N@@H+]1CCOC[C@H]1C1CC1)C[NH+]1CCOC[C@H]1C1CC1 ZINC000375298634 418626562 /nfs/dbraw/zinc/62/65/62/418626562.db2.gz YSDOVGFSKHHIAF-ROUUACIJSA-N 2 2 304.434 1.211 20 30 DDEDLP C(#CC[N@H+]1CCOC[C@H]1C1CC1)C[NH+]1CCOC[C@H]1C1CC1 ZINC000375298634 418626565 /nfs/dbraw/zinc/62/65/65/418626565.db2.gz YSDOVGFSKHHIAF-ROUUACIJSA-N 2 2 304.434 1.211 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423375785 420029629 /nfs/dbraw/zinc/02/96/29/420029629.db2.gz IVDCCABQMWXSTH-OAHLLOKOSA-N 2 2 309.360 1.731 20 30 DDEDLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)ccc1C#N ZINC000440802937 420608929 /nfs/dbraw/zinc/60/89/29/420608929.db2.gz BFIIUSFYPZDLCT-KRWDZBQOSA-N 2 2 317.433 1.749 20 30 DDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568173845 421617406 /nfs/dbraw/zinc/61/74/06/421617406.db2.gz GURFQJPQWZNUNR-HOCLYGCPSA-N 2 2 322.840 1.903 20 30 DDEDLP C[NH+]1CCC(CNc2cc(C#N)cnn2)([NH+]2CCCCC2)CC1 ZINC000596138153 422366315 /nfs/dbraw/zinc/36/63/15/422366315.db2.gz GSRDNBCNKYPIEX-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000662794683 424770206 /nfs/dbraw/zinc/77/02/06/424770206.db2.gz HOCMXCWEXVOBDF-YOEHRIQHSA-N 2 2 300.406 1.475 20 30 DDEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396960 266104248 /nfs/dbraw/zinc/10/42/48/266104248.db2.gz GNLJMWHZEGKTSO-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396960 266104250 /nfs/dbraw/zinc/10/42/50/266104250.db2.gz GNLJMWHZEGKTSO-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396960 266104252 /nfs/dbraw/zinc/10/42/52/266104252.db2.gz GNLJMWHZEGKTSO-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000362396960 266104255 /nfs/dbraw/zinc/10/42/55/266104255.db2.gz GNLJMWHZEGKTSO-QGZVFWFLSA-N 2 2 314.433 1.448 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000343638043 268247659 /nfs/dbraw/zinc/24/76/59/268247659.db2.gz DVUGMBAZFNYDAI-UHFFFAOYSA-N 2 2 312.417 1.298 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000345504882 277849102 /nfs/dbraw/zinc/84/91/02/277849102.db2.gz FDVUWEOWGJCSKP-KBPBESRZSA-N 2 2 315.408 1.798 20 30 DDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C[NH+]1CCOCC1 ZINC000376181492 298784182 /nfs/dbraw/zinc/78/41/82/298784182.db2.gz MNEKHIFHRGJHSQ-ZKXLYKBJSA-N 2 2 321.465 1.784 20 30 DDEDLP C=CCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424375474 526873079 /nfs/dbraw/zinc/87/30/79/526873079.db2.gz JWCBPNKPCWPLJT-ZWKOTPCHSA-N 2 2 312.417 1.912 20 30 DDEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424375474 526873087 /nfs/dbraw/zinc/87/30/87/526873087.db2.gz JWCBPNKPCWPLJT-ZWKOTPCHSA-N 2 2 312.417 1.912 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000491675862 526950913 /nfs/dbraw/zinc/95/09/13/526950913.db2.gz UZLFKTBDNNWNSS-OAHLLOKOSA-N 2 2 317.408 1.562 20 30 DDEDLP C#C[C@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491707630 527320454 /nfs/dbraw/zinc/32/04/54/527320454.db2.gz GSDHPERLKDRWFS-INIZCTEOSA-N 2 2 320.481 1.600 20 30 DDEDLP CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330481142 528974328 /nfs/dbraw/zinc/97/43/28/528974328.db2.gz TZGPXDDISHEXGS-UHFFFAOYSA-N 2 2 312.458 1.085 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675413 695709722 /nfs/dbraw/zinc/70/97/22/695709722.db2.gz SWCIQEYMELTRTA-HUUCEWRRSA-N 2 2 314.433 1.610 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974675413 695709723 /nfs/dbraw/zinc/70/97/23/695709723.db2.gz SWCIQEYMELTRTA-HUUCEWRRSA-N 2 2 314.433 1.610 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC000974683742 695711339 /nfs/dbraw/zinc/71/13/39/695711339.db2.gz DUASSUVXHQBYIJ-JKSUJKDBSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C ZINC000974683742 695711340 /nfs/dbraw/zinc/71/13/40/695711340.db2.gz DUASSUVXHQBYIJ-JKSUJKDBSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)CC1(C)C ZINC000974683742 695711341 /nfs/dbraw/zinc/71/13/41/695711341.db2.gz DUASSUVXHQBYIJ-JKSUJKDBSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)CC1(C)C ZINC000974683742 695711344 /nfs/dbraw/zinc/71/13/44/695711344.db2.gz DUASSUVXHQBYIJ-JKSUJKDBSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738033 695722523 /nfs/dbraw/zinc/72/25/23/695722523.db2.gz CEHCHIOAGIKVQZ-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738033 695722525 /nfs/dbraw/zinc/72/25/25/695722525.db2.gz CEHCHIOAGIKVQZ-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977478781 696181616 /nfs/dbraw/zinc/18/16/16/696181616.db2.gz SKUJRWXVQUUUDM-CYBMUJFWSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977478781 696181618 /nfs/dbraw/zinc/18/16/18/696181618.db2.gz SKUJRWXVQUUUDM-CYBMUJFWSA-N 2 2 311.857 1.661 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825857 696933511 /nfs/dbraw/zinc/93/35/11/696933511.db2.gz RDTXLMBOBQQECG-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000981825857 696933513 /nfs/dbraw/zinc/93/35/13/696933513.db2.gz RDTXLMBOBQQECG-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825857 696933514 /nfs/dbraw/zinc/93/35/14/696933514.db2.gz RDTXLMBOBQQECG-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000981825857 696933517 /nfs/dbraw/zinc/93/35/17/696933517.db2.gz RDTXLMBOBQQECG-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833926 696936687 /nfs/dbraw/zinc/93/66/87/696936687.db2.gz NLPRUILNCPIGJU-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833926 696936689 /nfs/dbraw/zinc/93/66/89/696936689.db2.gz NLPRUILNCPIGJU-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851114 696943003 /nfs/dbraw/zinc/94/30/03/696943003.db2.gz FNANBZTVMOEPJT-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000981851114 696943006 /nfs/dbraw/zinc/94/30/06/696943006.db2.gz FNANBZTVMOEPJT-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982293898 697085485 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1.003 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981484345 697108661 /nfs/dbraw/zinc/10/86/61/697108661.db2.gz OSJQLOCCZHBJBO-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981484345 697108662 /nfs/dbraw/zinc/10/86/62/697108662.db2.gz OSJQLOCCZHBJBO-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C[NH+]=C(NCc1nc(C)no1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159958767 697313878 /nfs/dbraw/zinc/31/38/78/697313878.db2.gz LTOGBMIPHPTWIR-WCQYABFASA-N 2 2 317.397 1.233 20 30 DDEDLP C=CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000165336707 697339500 /nfs/dbraw/zinc/33/95/00/697339500.db2.gz XABQKXXDKKGGAF-UHFFFAOYSA-N 2 2 302.422 1.669 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987071599 697984787 /nfs/dbraw/zinc/98/47/87/697984787.db2.gz XTLHSBPCODKUPT-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987312947 698080258 /nfs/dbraw/zinc/08/02/58/698080258.db2.gz WOBDOVHQZHCDCW-HIFRSBDPSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989825708 698783561 /nfs/dbraw/zinc/78/35/61/698783561.db2.gz JPVCKXWFAVQTTD-UKRRQHHQSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989825708 698783564 /nfs/dbraw/zinc/78/35/64/698783564.db2.gz JPVCKXWFAVQTTD-UKRRQHHQSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000730271124 699505651 /nfs/dbraw/zinc/50/56/51/699505651.db2.gz LJVAYBQZMXVVRL-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000730271124 699505653 /nfs/dbraw/zinc/50/56/53/699505653.db2.gz LJVAYBQZMXVVRL-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000730271124 699505654 /nfs/dbraw/zinc/50/56/54/699505654.db2.gz LJVAYBQZMXVVRL-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000730271124 699505656 /nfs/dbraw/zinc/50/56/56/699505656.db2.gz LJVAYBQZMXVVRL-ROUUACIJSA-N 2 2 311.429 1.475 20 30 DDEDLP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866228611 706654387 /nfs/dbraw/zinc/65/43/87/706654387.db2.gz LXLRWBNBSIOSDC-CQSZACIVSA-N 2 2 316.449 1.940 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000843780554 702922751 /nfs/dbraw/zinc/92/27/51/702922751.db2.gz FWOLOPLIHIJJOQ-OAHLLOKOSA-N 2 2 302.422 1.564 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819024378 704053879 /nfs/dbraw/zinc/05/38/79/704053879.db2.gz PCDLSWCGWDRVEM-KRWDZBQOSA-N 2 2 320.433 1.977 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000852883067 704159918 /nfs/dbraw/zinc/15/99/18/704159918.db2.gz FUAOIOBXTSBPFO-UHFFFAOYSA-N 2 2 308.385 1.492 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C#Cc3cccs3)C2)CC1 ZINC000825869106 705738541 /nfs/dbraw/zinc/73/85/41/705738541.db2.gz PBMWKGCHGLJSJV-AWEZNQCLSA-N 2 2 317.458 1.384 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C#Cc3cccs3)C2)CC1 ZINC000825869106 705738543 /nfs/dbraw/zinc/73/85/43/705738543.db2.gz PBMWKGCHGLJSJV-AWEZNQCLSA-N 2 2 317.458 1.384 20 30 DDEDLP C#CCCCCCC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152237 705998744 /nfs/dbraw/zinc/99/87/44/705998744.db2.gz JHJHNLWDGDWPSJ-KRWDZBQOSA-N 2 2 321.465 1.093 20 30 DDEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596149 707951365 /nfs/dbraw/zinc/95/13/65/707951365.db2.gz WPHMZDUUGSQPPJ-SJORKVTESA-N 2 2 320.481 1.454 20 30 DDEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596149 707951369 /nfs/dbraw/zinc/95/13/69/707951369.db2.gz WPHMZDUUGSQPPJ-SJORKVTESA-N 2 2 320.481 1.454 20 30 DDEDLP C#CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000888286108 709264886 /nfs/dbraw/zinc/26/48/86/709264886.db2.gz GHFGCGFSEGRNNC-CVEARBPZSA-N 2 2 318.465 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ZINC000968551992 719661327 /nfs/dbraw/zinc/66/13/27/719661327.db2.gz APLLYLBCTWLZDY-HIFRSBDPSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968551992 719661329 /nfs/dbraw/zinc/66/13/29/719661329.db2.gz APLLYLBCTWLZDY-HIFRSBDPSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996792 720592104 /nfs/dbraw/zinc/59/21/04/720592104.db2.gz KCPIYDKLQMHJSP-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167996 732797929 /nfs/dbraw/zinc/79/79/29/732797929.db2.gz VEPRKEIILCOSFO-AWEZNQCLSA-N 2 2 314.433 1.729 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575974 733332685 /nfs/dbraw/zinc/33/26/85/733332685.db2.gz PUWCNUQAESECCR-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575974 733332688 /nfs/dbraw/zinc/33/26/88/733332688.db2.gz 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20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274222 848223353 /nfs/dbraw/zinc/22/33/53/848223353.db2.gz LFILKHNQWSYTNP-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274222 848223362 /nfs/dbraw/zinc/22/33/62/848223362.db2.gz LFILKHNQWSYTNP-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001273277915 849325496 /nfs/dbraw/zinc/32/54/96/849325496.db2.gz ZVRDNSFJEWZJEZ-OAHLLOKOSA-N 2 2 320.437 1.320 20 30 DDEDLP Cc1nc(Cl)nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c1C#N ZINC001155377190 862010032 /nfs/dbraw/zinc/01/00/32/862010032.db2.gz QULAZGXWKZBPNL-LBPRGKRZSA-N 2 2 320.828 1.169 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201337302 851472960 /nfs/dbraw/zinc/47/29/60/851472960.db2.gz OYHGXKXOUDGJSG-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001274040894 851881382 /nfs/dbraw/zinc/88/13/82/851881382.db2.gz WMNPLDOPSLTVIS-MRXNPFEDSA-N 2 2 301.394 1.148 20 30 DDEDLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001274040894 851881384 /nfs/dbraw/zinc/88/13/84/851881384.db2.gz WMNPLDOPSLTVIS-MRXNPFEDSA-N 2 2 301.394 1.148 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592561 853407802 /nfs/dbraw/zinc/40/78/02/853407802.db2.gz NEEOFCKYZBTQIZ-CYBMUJFWSA-N 2 2 316.405 1.816 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592561 853407806 /nfs/dbraw/zinc/40/78/06/853407806.db2.gz NEEOFCKYZBTQIZ-CYBMUJFWSA-N 2 2 316.405 1.816 20 30 DDEDLP C=CCOc1cc(C)nc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156182398 862786303 /nfs/dbraw/zinc/78/63/03/862786303.db2.gz RLOZRKMNYQMPSC-UHFFFAOYSA-N 2 2 319.453 1.788 20 30 DDEDLP N#CCC[C@H](C#N)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413095371 856411906 /nfs/dbraw/zinc/41/19/06/856411906.db2.gz ZAOACTPZCRTCKW-MRXNPFEDSA-N 2 2 304.438 1.743 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564404 856981176 /nfs/dbraw/zinc/98/11/76/856981176.db2.gz METZLYFOQLEUKS-CVEARBPZSA-N 2 2 316.405 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564404 856981183 /nfs/dbraw/zinc/98/11/83/856981183.db2.gz METZLYFOQLEUKS-CVEARBPZSA-N 2 2 316.405 1.048 20 30 DDEDLP C=CCOCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121954235 858643695 /nfs/dbraw/zinc/64/36/95/858643695.db2.gz QDIREXHRKYQTRI-UHFFFAOYSA-N 2 2 318.421 1.172 20 30 DDEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)CCc1c[nH+]cn1C)C(C)C ZINC001329764372 863837666 /nfs/dbraw/zinc/83/76/66/863837666.db2.gz FUZJWKKLGYCOIW-QGZVFWFLSA-N 2 2 318.465 1.839 20 30 DDEDLP C=C(Br)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159527498 865366964 /nfs/dbraw/zinc/36/69/64/865366964.db2.gz OCHJYVKKLKEIFR-UHFFFAOYSA-N 2 2 315.215 1.347 20 30 DDEDLP C=C(Br)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159527498 865366948 /nfs/dbraw/zinc/36/69/48/865366948.db2.gz OCHJYVKKLKEIFR-UHFFFAOYSA-N 2 2 315.215 1.347 20 30 DDEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001332546542 865922701 /nfs/dbraw/zinc/92/27/01/865922701.db2.gz HXYFCAAMAJVUDD-INIZCTEOSA-N 2 2 314.389 1.081 20 30 DDEDLP CC#CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001332732219 866104756 /nfs/dbraw/zinc/10/47/56/866104756.db2.gz JVWMFZDIMGETAI-HZPDHXFCSA-N 2 2 316.449 1.716 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001332732219 866104759 /nfs/dbraw/zinc/10/47/59/866104759.db2.gz JVWMFZDIMGETAI-HZPDHXFCSA-N 2 2 316.449 1.716 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001319698185 866230606 /nfs/dbraw/zinc/23/06/06/866230606.db2.gz RHHVOMNIIUSCOF-HOTGVXAUSA-N 2 2 320.437 1.302 20 30 DDEDLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161151336 866410401 /nfs/dbraw/zinc/41/04/01/866410401.db2.gz WHIUDHIFWRYMRB-GOSISDBHSA-N 2 2 322.412 1.570 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993872 867168663 /nfs/dbraw/zinc/16/86/63/867168663.db2.gz MGGFNACBLQWIKI-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993872 867168669 /nfs/dbraw/zinc/16/86/69/867168669.db2.gz MGGFNACBLQWIKI-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383596 869557477 /nfs/dbraw/zinc/55/74/77/869557477.db2.gz OYQWMBPBOAQXCG-UHFFFAOYSA-N 2 2 320.437 1.421 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383596 869557481 /nfs/dbraw/zinc/55/74/81/869557481.db2.gz OYQWMBPBOAQXCG-UHFFFAOYSA-N 2 2 320.437 1.421 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC001338504967 870020280 /nfs/dbraw/zinc/02/02/80/870020280.db2.gz MZFISXXRYQAIHI-SFHVURJKSA-N 2 2 316.445 1.730 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530892 870618316 /nfs/dbraw/zinc/61/83/16/870618316.db2.gz LPMIRGNCTGTHEJ-UONOGXRCSA-N 2 2 302.422 1.935 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203607250 870669257 /nfs/dbraw/zinc/66/92/57/870669257.db2.gz VMNXRXOMCBQINV-CABCVRRESA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813427 870772770 /nfs/dbraw/zinc/77/27/70/870772770.db2.gz CPXRSWAZDVPZDA-HZPDHXFCSA-N 2 2 314.433 1.704 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccncc2)CC1 ZINC001204082397 870927847 /nfs/dbraw/zinc/92/78/47/870927847.db2.gz YZJMBXVDQSZBNV-UHFFFAOYSA-N 2 2 300.450 1.873 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317845468 871582779 /nfs/dbraw/zinc/58/27/79/871582779.db2.gz QPKDCXSGMMOSKR-OAHLLOKOSA-N 2 2 310.401 1.752 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317845468 871582785 /nfs/dbraw/zinc/58/27/85/871582785.db2.gz QPKDCXSGMMOSKR-OAHLLOKOSA-N 2 2 310.401 1.752 20 30 DDEDLP N#Cc1c(N)sc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1Cl ZINC001205681212 871693716 /nfs/dbraw/zinc/69/37/16/871693716.db2.gz HATXLCIJBDDVRE-CYBMUJFWSA-N 2 2 314.842 1.531 20 30 DDEDLP N#Cc1c(N)sc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1Cl ZINC001205681212 871693718 /nfs/dbraw/zinc/69/37/18/871693718.db2.gz HATXLCIJBDDVRE-CYBMUJFWSA-N 2 2 314.842 1.531 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001341843535 871849822 /nfs/dbraw/zinc/84/98/22/871849822.db2.gz WXXKRBLYJFFECJ-CABCVRRESA-N 2 2 304.438 1.885 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001381752560 882598589 /nfs/dbraw/zinc/59/85/89/882598589.db2.gz WSDZEXIRIRILFA-ZIAGYGMSSA-N 2 2 317.861 1.334 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001381752560 882598608 /nfs/dbraw/zinc/59/86/08/882598608.db2.gz WSDZEXIRIRILFA-ZIAGYGMSSA-N 2 2 317.861 1.334 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322556 872571375 /nfs/dbraw/zinc/57/13/75/872571375.db2.gz MNLZKTYEIQQWIT-UKRRQHHQSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322556 872571379 /nfs/dbraw/zinc/57/13/79/872571379.db2.gz MNLZKTYEIQQWIT-UKRRQHHQSA-N 2 2 306.410 1.124 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@H]1C ZINC001207583292 873404706 /nfs/dbraw/zinc/40/47/06/873404706.db2.gz OTUAFLQLCHUIEN-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001207583292 873404707 /nfs/dbraw/zinc/40/47/07/873404707.db2.gz OTUAFLQLCHUIEN-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001207583292 873404709 /nfs/dbraw/zinc/40/47/09/873404709.db2.gz OTUAFLQLCHUIEN-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001207583292 873404712 /nfs/dbraw/zinc/40/47/12/873404712.db2.gz OTUAFLQLCHUIEN-ZACQAIPSSA-N 2 2 305.466 1.711 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208438979 874142239 /nfs/dbraw/zinc/14/22/39/874142239.db2.gz LARKHUHMBVXGJQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450271 874150307 /nfs/dbraw/zinc/15/03/07/874150307.db2.gz CIYSPESAAQZXMT-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294050 875746484 /nfs/dbraw/zinc/74/64/84/875746484.db2.gz XICMNBIZGHMKOL-SJORKVTESA-N 2 2 314.433 1.288 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204321 875851123 /nfs/dbraw/zinc/85/11/23/875851123.db2.gz CSYPZKPNBXJQCT-HUUCEWRRSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204321 875851130 /nfs/dbraw/zinc/85/11/30/875851130.db2.gz CSYPZKPNBXJQCT-HUUCEWRRSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001276700589 875883071 /nfs/dbraw/zinc/88/30/71/875883071.db2.gz NATGEUFOOHZMHE-QKDCVEJESA-N 2 2 302.422 1.223 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001276700589 875883078 /nfs/dbraw/zinc/88/30/78/875883078.db2.gz NATGEUFOOHZMHE-QKDCVEJESA-N 2 2 302.422 1.223 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001378921587 875916976 /nfs/dbraw/zinc/91/69/76/875916976.db2.gz LFTXLGLBTVNEPG-TZMCWYRMSA-N 2 2 310.829 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499840 875955533 /nfs/dbraw/zinc/95/55/33/875955533.db2.gz CTGQXQWLRBXAGC-ARFHVFGLSA-N 2 2 320.437 1.616 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499840 875955539 /nfs/dbraw/zinc/95/55/39/875955539.db2.gz CTGQXQWLRBXAGC-ARFHVFGLSA-N 2 2 320.437 1.616 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216858907 877084831 /nfs/dbraw/zinc/08/48/31/877084831.db2.gz DKTCJVZHDBNQJH-OIISXLGYSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624931 877618638 /nfs/dbraw/zinc/61/86/38/877618638.db2.gz YKWNBDVCCXWUGW-OWCLPIDISA-N 2 2 309.454 1.204 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624931 877618646 /nfs/dbraw/zinc/61/86/46/877618646.db2.gz YKWNBDVCCXWUGW-OWCLPIDISA-N 2 2 309.454 1.204 20 30 DDEDLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N/C=C/C(=O)C(F)(F)F)cc1 ZINC001220345878 878941508 /nfs/dbraw/zinc/94/15/08/878941508.db2.gz RLKPQVZKEMWDKH-PORFMDCZSA-N 2 2 301.268 1.020 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC001357516102 880020640 /nfs/dbraw/zinc/02/06/40/880020640.db2.gz GAWJSFFESCALGW-AWEZNQCLSA-N 2 2 318.421 1.849 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529084 883537466 /nfs/dbraw/zinc/53/74/66/883537466.db2.gz NMLCLLLZLVHPJO-RRFJBIMHSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001277681222 886470822 /nfs/dbraw/zinc/47/08/22/886470822.db2.gz AHBHTFSNVUSERL-CVEARBPZSA-N 2 2 323.481 1.452 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277863429 888063827 /nfs/dbraw/zinc/06/38/27/888063827.db2.gz PAOAKERPXAPMGU-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP Cn1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235063208 888387873 /nfs/dbraw/zinc/38/78/73/888387873.db2.gz OTQJCISQMNCDML-GOSISDBHSA-N 2 2 309.417 1.187 20 30 DDEDLP Cn1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235063208 888387887 /nfs/dbraw/zinc/38/78/87/888387887.db2.gz OTQJCISQMNCDML-GOSISDBHSA-N 2 2 309.417 1.187 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278510432 893756019 /nfs/dbraw/zinc/75/60/19/893756019.db2.gz AAISKLYDCHGVKZ-YJBOKZPZSA-N 2 2 316.449 1.850 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001388699532 895719648 /nfs/dbraw/zinc/71/96/48/895719648.db2.gz DFTSYVXCPXPQCY-CALCHBBNSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278787216 896464138 /nfs/dbraw/zinc/46/41/38/896464138.db2.gz VXSKCOHJHOVYNS-OAHLLOKOSA-N 2 2 303.406 1.053 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266223330 903145647 /nfs/dbraw/zinc/14/56/47/903145647.db2.gz OBBFGKZQPHKRRQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266223330 903145655 /nfs/dbraw/zinc/14/56/55/903145655.db2.gz OBBFGKZQPHKRRQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001282715150 905978521 /nfs/dbraw/zinc/97/85/21/905978521.db2.gz PLXYCYAQFGHBHA-AWEZNQCLSA-N 2 2 314.433 1.222 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001397101268 915171030 /nfs/dbraw/zinc/17/10/30/915171030.db2.gz RWKULALIALYTAR-BETUJISGSA-N 2 2 310.829 1.590 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001376323752 918233794 /nfs/dbraw/zinc/23/37/94/918233794.db2.gz BQVOKGSHYAKEKJ-KGLIPLIRSA-N 2 2 324.856 1.932 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278589882 214259028 /nfs/dbraw/zinc/25/90/28/214259028.db2.gz KYYIGYWZJQUQMM-AWEZNQCLSA-N 2 2 303.406 1.924 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000081644901 353685562 /nfs/dbraw/zinc/68/55/62/353685562.db2.gz PAMJPUYXFKPLRU-UHFFFAOYSA-N 2 2 319.836 1.549 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000081644901 353685564 /nfs/dbraw/zinc/68/55/64/353685564.db2.gz PAMJPUYXFKPLRU-UHFFFAOYSA-N 2 2 319.836 1.549 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000584847208 354782987 /nfs/dbraw/zinc/78/29/87/354782987.db2.gz HXWTVPXGPPXNGY-HNNXBMFYSA-N 2 2 302.422 1.251 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000584847208 354782991 /nfs/dbraw/zinc/78/29/91/354782991.db2.gz HXWTVPXGPPXNGY-HNNXBMFYSA-N 2 2 302.422 1.251 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 ZINC000593669745 355961620 /nfs/dbraw/zinc/96/16/20/355961620.db2.gz CRTHKCGTZKQWCU-WOVMCDHWSA-N 2 2 312.417 1.376 20 30 DDEDLP CN(C(=O)CCCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594289296 356165325 /nfs/dbraw/zinc/16/53/25/356165325.db2.gz OQOSJTMHHVKWIA-INIZCTEOSA-N 2 2 306.454 1.697 20 30 DDEDLP CN(C(=O)CCCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594289296 356165327 /nfs/dbraw/zinc/16/53/27/356165327.db2.gz OQOSJTMHHVKWIA-INIZCTEOSA-N 2 2 306.454 1.697 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000594438071 356215075 /nfs/dbraw/zinc/21/50/75/356215075.db2.gz ZJRRNKKELDNQMV-MRXNPFEDSA-N 2 2 315.421 1.137 20 30 DDEDLP COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000595296789 356438489 /nfs/dbraw/zinc/43/84/89/356438489.db2.gz KQVKZGOOTDTWOZ-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000595296789 356438491 /nfs/dbraw/zinc/43/84/91/356438491.db2.gz KQVKZGOOTDTWOZ-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000595296789 356438493 /nfs/dbraw/zinc/43/84/93/356438493.db2.gz KQVKZGOOTDTWOZ-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000595296789 356438494 /nfs/dbraw/zinc/43/84/94/356438494.db2.gz KQVKZGOOTDTWOZ-GOSISDBHSA-N 2 2 319.449 1.708 20 30 DDEDLP N#Cc1cccc(C2([NH2+]C[C@@H]3C[NH2+]CCO3)CCOCC2)c1 ZINC000595909350 356701587 /nfs/dbraw/zinc/70/15/87/356701587.db2.gz LSQNWSSIVXVREF-INIZCTEOSA-N 2 2 301.390 1.142 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000600718512 358294593 /nfs/dbraw/zinc/29/45/93/358294593.db2.gz XXHWRYDTPLLDNG-QGZVFWFLSA-N 2 2 314.433 1.690 20 30 DDEDLP CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000602533950 359032111 /nfs/dbraw/zinc/03/21/11/359032111.db2.gz ZVRYUBILNKYZIW-QGZVFWFLSA-N 2 2 316.449 1.822 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1C#N ZINC000282489375 217034329 /nfs/dbraw/zinc/03/43/29/217034329.db2.gz XKCKSUZECZBZQH-UHFFFAOYSA-N 2 2 317.433 1.845 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1C#N ZINC000282489375 217034332 /nfs/dbraw/zinc/03/43/32/217034332.db2.gz XKCKSUZECZBZQH-UHFFFAOYSA-N 2 2 317.433 1.845 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271694851 209133760 /nfs/dbraw/zinc/13/37/60/209133760.db2.gz MLCBLWUPNZMVFO-UHFFFAOYSA-N 2 2 322.497 1.145 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271694851 209133765 /nfs/dbraw/zinc/13/37/65/209133765.db2.gz MLCBLWUPNZMVFO-UHFFFAOYSA-N 2 2 322.497 1.145 20 30 DDEDLP C=CCN(CC=C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000271694851 209133767 /nfs/dbraw/zinc/13/37/67/209133767.db2.gz MLCBLWUPNZMVFO-UHFFFAOYSA-N 2 2 322.497 1.145 20 30 DDEDLP C=CCN(CC=C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000271694851 209133769 /nfs/dbraw/zinc/13/37/69/209133769.db2.gz MLCBLWUPNZMVFO-UHFFFAOYSA-N 2 2 322.497 1.145 20 30 DDEDLP C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C)CC1 ZINC000329993084 533096649 /nfs/dbraw/zinc/09/66/49/533096649.db2.gz LAIMMHXFDGHOKB-ZDUSSCGKSA-N 2 2 301.394 1.427 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113933713 407528315 /nfs/dbraw/zinc/52/83/15/407528315.db2.gz FOEDSCGJCXPQFW-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113933713 407528322 /nfs/dbraw/zinc/52/83/22/407528322.db2.gz FOEDSCGJCXPQFW-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933713 407528325 /nfs/dbraw/zinc/52/83/25/407528325.db2.gz FOEDSCGJCXPQFW-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933713 407528330 /nfs/dbraw/zinc/52/83/30/407528330.db2.gz FOEDSCGJCXPQFW-ULQDDVLXSA-N 2 2 305.466 1.711 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000171735542 407754011 /nfs/dbraw/zinc/75/40/11/407754011.db2.gz RRKSVHUTVWNSQS-LSDHHAIUSA-N 2 2 324.469 1.045 20 30 DDEDLP C#CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000274252554 408342234 /nfs/dbraw/zinc/34/22/34/408342234.db2.gz ZXCAKLHSWYZAEX-UHFFFAOYSA-N 2 2 312.417 1.218 20 30 DDEDLP C#CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000274252554 408342239 /nfs/dbraw/zinc/34/22/39/408342239.db2.gz ZXCAKLHSWYZAEX-UHFFFAOYSA-N 2 2 312.417 1.218 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCC(F)F)cc1 ZINC000276112918 408821573 /nfs/dbraw/zinc/82/15/73/408821573.db2.gz WJMLLZTVHLROFO-UHFFFAOYSA-N 2 2 301.337 1.667 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000287621192 409065342 /nfs/dbraw/zinc/06/53/42/409065342.db2.gz SXPNAEDYKKNEBM-UHFFFAOYSA-N 2 2 318.396 1.453 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328782785 409980517 /nfs/dbraw/zinc/98/05/17/409980517.db2.gz GGGLKICNGBEOBD-HUUCEWRRSA-N 2 2 319.453 1.998 20 30 DDEDLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH+]cn1C ZINC000329214109 410172367 /nfs/dbraw/zinc/17/23/67/410172367.db2.gz KPKQMGUJEJBMFG-WFASDCNBSA-N 2 2 305.426 1.464 20 30 DDEDLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1c[nH+]cn1C ZINC000329214109 410172374 /nfs/dbraw/zinc/17/23/74/410172374.db2.gz KPKQMGUJEJBMFG-WFASDCNBSA-N 2 2 305.426 1.464 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000329245925 410188994 /nfs/dbraw/zinc/18/89/94/410188994.db2.gz ALNVTOWHBFKRSM-UKRRQHHQSA-N 2 2 317.437 1.659 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000329245925 410189000 /nfs/dbraw/zinc/18/90/00/410189000.db2.gz ALNVTOWHBFKRSM-UKRRQHHQSA-N 2 2 317.437 1.659 20 30 DDEDLP C#Cc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000367318097 418584403 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/nfs/dbraw/zinc/78/22/25/696782225.db2.gz IJQMRZZEZSLJNE-HNNXBMFYSA-N 2 2 319.474 1.825 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980475738 696782227 /nfs/dbraw/zinc/78/22/27/696782227.db2.gz IJQMRZZEZSLJNE-HNNXBMFYSA-N 2 2 319.474 1.825 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980475739 696782389 /nfs/dbraw/zinc/78/23/89/696782389.db2.gz IJQMRZZEZSLJNE-OAHLLOKOSA-N 2 2 319.474 1.825 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000980475739 696782391 /nfs/dbraw/zinc/78/23/91/696782391.db2.gz IJQMRZZEZSLJNE-OAHLLOKOSA-N 2 2 319.474 1.825 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000980475739 696782394 /nfs/dbraw/zinc/78/23/94/696782394.db2.gz IJQMRZZEZSLJNE-OAHLLOKOSA-N 2 2 319.474 1.825 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980475739 696782398 /nfs/dbraw/zinc/78/23/98/696782398.db2.gz IJQMRZZEZSLJNE-OAHLLOKOSA-N 2 2 319.474 1.825 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538682 696795247 /nfs/dbraw/zinc/79/52/47/696795247.db2.gz IRSOVKWUQMZQHL-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538682 696795249 /nfs/dbraw/zinc/79/52/49/696795249.db2.gz IRSOVKWUQMZQHL-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910228 696965261 /nfs/dbraw/zinc/96/52/61/696965261.db2.gz RTYWKVMVMZQJJW-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910228 696965264 /nfs/dbraw/zinc/96/52/64/696965264.db2.gz RTYWKVMVMZQJJW-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933197 696974527 /nfs/dbraw/zinc/97/45/27/696974527.db2.gz IDADPEKIEIZGKQ-AWEZNQCLSA-N 2 2 300.406 1.387 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933197 696974529 /nfs/dbraw/zinc/97/45/29/696974529.db2.gz IDADPEKIEIZGKQ-AWEZNQCLSA-N 2 2 300.406 1.387 20 30 DDEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103269 697005113 /nfs/dbraw/zinc/00/51/13/697005113.db2.gz UHOCOVKVTVMPSG-LSDHHAIUSA-N 2 2 316.449 1.965 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602224 698161133 /nfs/dbraw/zinc/16/11/33/698161133.db2.gz AMZMMSXYAGDHJT-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000303897363 698610596 /nfs/dbraw/zinc/61/05/96/698610596.db2.gz UZBCNRNEXOQPIV-CYBMUJFWSA-N 2 2 324.494 1.826 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000303897363 698610598 /nfs/dbraw/zinc/61/05/98/698610598.db2.gz UZBCNRNEXOQPIV-CYBMUJFWSA-N 2 2 324.494 1.826 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989636278 698703218 /nfs/dbraw/zinc/70/32/18/698703218.db2.gz VOKPKQPCBAGACS-GOEBONIOSA-N 2 2 308.385 1.698 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000328160539 698745820 /nfs/dbraw/zinc/74/58/20/698745820.db2.gz HXQQCJOEQXSGTA-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000328160539 698745822 /nfs/dbraw/zinc/74/58/22/698745822.db2.gz HXQQCJOEQXSGTA-UHFFFAOYSA-N 2 2 306.406 1.757 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000730095680 699500671 /nfs/dbraw/zinc/50/06/71/699500671.db2.gz FQQAHTSBKGCORO-DLBZAZTESA-N 2 2 317.408 1.642 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000730095680 699500672 /nfs/dbraw/zinc/50/06/72/699500672.db2.gz FQQAHTSBKGCORO-DLBZAZTESA-N 2 2 317.408 1.642 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868652850 702247298 /nfs/dbraw/zinc/24/72/98/702247298.db2.gz LKJHOERBPJWIOT-QGZVFWFLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868652850 702247301 /nfs/dbraw/zinc/24/73/01/702247301.db2.gz LKJHOERBPJWIOT-QGZVFWFLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868652850 702247305 /nfs/dbraw/zinc/24/73/05/702247305.db2.gz LKJHOERBPJWIOT-QGZVFWFLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868652850 702247308 /nfs/dbraw/zinc/24/73/08/702247308.db2.gz LKJHOERBPJWIOT-QGZVFWFLSA-N 2 2 314.433 1.427 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000879594149 706731814 /nfs/dbraw/zinc/73/18/14/706731814.db2.gz ZAUDQBWPKOVQQM-UHFFFAOYSA-N 2 2 315.436 1.889 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846946721 703355684 /nfs/dbraw/zinc/35/56/84/703355684.db2.gz VKKYRNUTVZPGED-KRWDZBQOSA-N 2 2 317.433 1.417 20 30 DDEDLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000848414635 703547705 /nfs/dbraw/zinc/54/77/05/703547705.db2.gz OEGAGSKXEUNZKI-ZDUSSCGKSA-N 2 2 316.396 1.586 20 30 DDEDLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000848414635 703547706 /nfs/dbraw/zinc/54/77/06/703547706.db2.gz OEGAGSKXEUNZKI-ZDUSSCGKSA-N 2 2 316.396 1.586 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115033 704199922 /nfs/dbraw/zinc/19/99/22/704199922.db2.gz CTEZZXFNTAWZGZ-RBUKOAKNSA-N 2 2 316.445 1.497 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115033 704199923 /nfs/dbraw/zinc/19/99/23/704199923.db2.gz CTEZZXFNTAWZGZ-RBUKOAKNSA-N 2 2 316.445 1.497 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000826724553 705858705 /nfs/dbraw/zinc/85/87/05/705858705.db2.gz MCSGVJIUTJTPBV-GOSISDBHSA-N 2 2 311.429 1.635 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000826724553 705858707 /nfs/dbraw/zinc/85/87/07/705858707.db2.gz MCSGVJIUTJTPBV-GOSISDBHSA-N 2 2 311.429 1.635 20 30 DDEDLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876892902 705911470 /nfs/dbraw/zinc/91/14/70/705911470.db2.gz CESKOBGRJFKCCU-KRWDZBQOSA-N 2 2 323.400 1.490 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000828478018 706187308 /nfs/dbraw/zinc/18/73/08/706187308.db2.gz NJCYNXNGUVQMCR-HUUCEWRRSA-N 2 2 300.406 1.128 20 30 DDEDLP N#CC1(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880569648 707021624 /nfs/dbraw/zinc/02/16/24/707021624.db2.gz NIDGDUDMCGOCAO-MRXNPFEDSA-N 2 2 323.400 1.776 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000890371902 709844886 /nfs/dbraw/zinc/84/48/86/709844886.db2.gz DHYHACYVGBLDLR-CVEARBPZSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000890371902 709844888 /nfs/dbraw/zinc/84/48/88/709844888.db2.gz DHYHACYVGBLDLR-CVEARBPZSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000895202180 711452415 /nfs/dbraw/zinc/45/24/15/711452415.db2.gz QAPIYTOHXXYYLV-ZIAGYGMSSA-N 2 2 303.410 1.169 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000895202180 711452417 /nfs/dbraw/zinc/45/24/17/711452417.db2.gz QAPIYTOHXXYYLV-ZIAGYGMSSA-N 2 2 303.410 1.169 20 30 DDEDLP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918906911 713572949 /nfs/dbraw/zinc/57/29/49/713572949.db2.gz SYHSDTDAMAUJMB-HNNXBMFYSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918906911 713572951 /nfs/dbraw/zinc/57/29/51/713572951.db2.gz SYHSDTDAMAUJMB-HNNXBMFYSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255860 716884577 /nfs/dbraw/zinc/88/45/77/716884577.db2.gz VVIXAWYRXVZYEK-HUUCEWRRSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255860 716884579 /nfs/dbraw/zinc/88/45/79/716884579.db2.gz VVIXAWYRXVZYEK-HUUCEWRRSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942052843 717452111 /nfs/dbraw/zinc/45/21/11/717452111.db2.gz HJWFPJDAWXWSPY-XJKSGUPXSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942052843 717452115 /nfs/dbraw/zinc/45/21/15/717452115.db2.gz HJWFPJDAWXWSPY-XJKSGUPXSA-N 2 2 310.401 1.716 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486607 717697199 /nfs/dbraw/zinc/69/71/99/717697199.db2.gz NLTDGQSEIVBEER-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486607 717697203 /nfs/dbraw/zinc/69/72/03/717697203.db2.gz NLTDGQSEIVBEER-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477760 719607431 /nfs/dbraw/zinc/60/74/31/719607431.db2.gz WGJPAAYVMGQUTK-YOEHRIQHSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477760 719607432 /nfs/dbraw/zinc/60/74/32/719607432.db2.gz WGJPAAYVMGQUTK-YOEHRIQHSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554436 719662650 /nfs/dbraw/zinc/66/26/50/719662650.db2.gz VQFQNBCUYAYWKH-DZGCQCFKSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554436 719662651 /nfs/dbraw/zinc/66/26/51/719662651.db2.gz VQFQNBCUYAYWKH-DZGCQCFKSA-N 2 2 300.406 1.221 20 30 DDEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948939398 719794577 /nfs/dbraw/zinc/79/45/77/719794577.db2.gz LBNAIPSUMFWMCD-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970000864 720593575 /nfs/dbraw/zinc/59/35/75/720593575.db2.gz NVIGSGFLBCZFLE-JSGCOSHPSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970000864 720593579 /nfs/dbraw/zinc/59/35/79/720593579.db2.gz NVIGSGFLBCZFLE-JSGCOSHPSA-N 2 2 314.433 1.283 20 30 DDEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)[nH+]1 ZINC001164967798 722075971 /nfs/dbraw/zinc/07/59/71/722075971.db2.gz WVOOYUORBDXUCG-CALCHBBNSA-N 2 2 312.417 1.756 20 30 DDEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)[nH+]1 ZINC001164967798 722075972 /nfs/dbraw/zinc/07/59/72/722075972.db2.gz WVOOYUORBDXUCG-CALCHBBNSA-N 2 2 312.417 1.756 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167997 732798268 /nfs/dbraw/zinc/79/82/68/732798268.db2.gz VEPRKEIILCOSFO-CQSZACIVSA-N 2 2 314.433 1.729 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717807 733481297 /nfs/dbraw/zinc/48/12/97/733481297.db2.gz RQMRKTYEJYUKMH-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717807 733481298 /nfs/dbraw/zinc/48/12/98/733481298.db2.gz RQMRKTYEJYUKMH-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449592 735242096 /nfs/dbraw/zinc/24/20/96/735242096.db2.gz UIISHWIPXMCYDB-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449592 735242099 /nfs/dbraw/zinc/24/20/99/735242099.db2.gz UIISHWIPXMCYDB-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024515861 735893499 /nfs/dbraw/zinc/89/34/99/735893499.db2.gz DNUOVTZMUFLIDW-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024515861 735893504 /nfs/dbraw/zinc/89/35/04/735893504.db2.gz DNUOVTZMUFLIDW-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024515861 735893507 /nfs/dbraw/zinc/89/35/07/735893507.db2.gz DNUOVTZMUFLIDW-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024515861 735893512 /nfs/dbraw/zinc/89/35/12/735893512.db2.gz DNUOVTZMUFLIDW-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]12 ZINC001026312297 737332936 /nfs/dbraw/zinc/33/29/36/737332936.db2.gz UPKSOPADTOOWQX-QLFBSQMISA-N 2 2 310.401 1.961 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469573 738323780 /nfs/dbraw/zinc/32/37/80/738323780.db2.gz FZMDPDVBPSDRMF-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469573 738323784 /nfs/dbraw/zinc/32/37/84/738323784.db2.gz FZMDPDVBPSDRMF-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001027469841 738324475 /nfs/dbraw/zinc/32/44/75/738324475.db2.gz HMBMWHBQUSUPOJ-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001027469841 738324478 /nfs/dbraw/zinc/32/44/78/738324478.db2.gz HMBMWHBQUSUPOJ-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493447 738347709 /nfs/dbraw/zinc/34/77/09/738347709.db2.gz GNRPJHPDDKXIKY-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493447 738347713 /nfs/dbraw/zinc/34/77/13/738347713.db2.gz GNRPJHPDDKXIKY-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997959506 751419114 /nfs/dbraw/zinc/41/91/14/751419114.db2.gz HAEOBTCTGXJWOC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997959506 751419116 /nfs/dbraw/zinc/41/91/16/751419116.db2.gz HAEOBTCTGXJWOC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997959506 751419119 /nfs/dbraw/zinc/41/91/19/751419119.db2.gz HAEOBTCTGXJWOC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997959506 751419122 /nfs/dbraw/zinc/41/91/22/751419122.db2.gz HAEOBTCTGXJWOC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032591108 751462736 /nfs/dbraw/zinc/46/27/36/751462736.db2.gz OVDXBFMAFRTJQO-XIRDDKMYSA-N 2 2 312.417 1.062 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032591108 751462743 /nfs/dbraw/zinc/46/27/43/751462743.db2.gz OVDXBFMAFRTJQO-XIRDDKMYSA-N 2 2 312.417 1.062 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102262 741031235 /nfs/dbraw/zinc/03/12/35/741031235.db2.gz XHBQALIGWYBSNB-QLFBSQMISA-N 2 2 314.433 1.796 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102262 741031239 /nfs/dbraw/zinc/03/12/39/741031239.db2.gz XHBQALIGWYBSNB-QLFBSQMISA-N 2 2 314.433 1.796 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679149 742072705 /nfs/dbraw/zinc/07/27/05/742072705.db2.gz HJTDPVUGVBIACC-FMKPAKJESA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679149 742072711 /nfs/dbraw/zinc/07/27/11/742072711.db2.gz HJTDPVUGVBIACC-FMKPAKJESA-N 2 2 300.406 1.048 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687682 742077622 /nfs/dbraw/zinc/07/76/22/742077622.db2.gz NANDVRKSDLJJBO-OCCSQVGLSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687682 742077627 /nfs/dbraw/zinc/07/76/27/742077627.db2.gz NANDVRKSDLJJBO-OCCSQVGLSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304464 761887061 /nfs/dbraw/zinc/88/70/61/761887061.db2.gz FRBFSFVIVFFDJX-PBHICJAKSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304464 761887070 /nfs/dbraw/zinc/88/70/70/761887070.db2.gz FRBFSFVIVFFDJX-PBHICJAKSA-N 2 2 320.437 1.514 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184534349 744055797 /nfs/dbraw/zinc/05/57/97/744055797.db2.gz KZZHMIBQNGJQOW-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184534349 744055802 /nfs/dbraw/zinc/05/58/02/744055802.db2.gz KZZHMIBQNGJQOW-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184901844 744123462 /nfs/dbraw/zinc/12/34/62/744123462.db2.gz FQENKUDTFKJPRA-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030464095 744178390 /nfs/dbraw/zinc/17/83/90/744178390.db2.gz GUWVUSMODURRKS-SFHVURJKSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030464095 744178392 /nfs/dbraw/zinc/17/83/92/744178392.db2.gz GUWVUSMODURRKS-SFHVURJKSA-N 2 2 317.477 1.855 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586210 744253701 /nfs/dbraw/zinc/25/37/01/744253701.db2.gz HPXHGGDMUJIIPG-ZIAGYGMSSA-N 2 2 318.421 1.223 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185594546 744254951 /nfs/dbraw/zinc/25/49/51/744254951.db2.gz FIRXCKPDUOWINJ-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000992849052 745246162 /nfs/dbraw/zinc/24/61/62/745246162.db2.gz DATDALDNTJKDKG-QLFBSQMISA-N 2 2 314.433 1.537 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009796 745402769 /nfs/dbraw/zinc/40/27/69/745402769.db2.gz INPXHFKTOYYFGE-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009796 745402771 /nfs/dbraw/zinc/40/27/71/745402771.db2.gz INPXHFKTOYYFGE-GDBMZVCRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343092 745615719 /nfs/dbraw/zinc/61/57/19/745615719.db2.gz PIDRIUWCWLEUFP-RBSFLKMASA-N 2 2 302.422 1.316 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001003191047 747032383 /nfs/dbraw/zinc/03/23/83/747032383.db2.gz ULZNLSQMGAGQOG-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668421 747350788 /nfs/dbraw/zinc/35/07/88/747350788.db2.gz FDLPOCVOKOMLMU-GJZGRUSLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668421 747350796 /nfs/dbraw/zinc/35/07/96/747350796.db2.gz FDLPOCVOKOMLMU-GJZGRUSLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031686126 747376718 /nfs/dbraw/zinc/37/67/18/747376718.db2.gz JLOIGKTVWBGGKG-INIZCTEOSA-N 2 2 317.437 1.414 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686126 747376727 /nfs/dbraw/zinc/37/67/27/747376727.db2.gz JLOIGKTVWBGGKG-INIZCTEOSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031978591 748346983 /nfs/dbraw/zinc/34/69/83/748346983.db2.gz HRXGBIKNQHEWON-UHFFFAOYSA-N 2 2 304.394 1.118 20 30 DDEDLP C[N@H+](CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1)C1CCC1 ZINC001004455671 748447322 /nfs/dbraw/zinc/44/73/22/748447322.db2.gz FKSXBBAMQVCPIJ-QGZVFWFLSA-N 2 2 318.465 1.697 20 30 DDEDLP C[N@@H+](CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1)C1CCC1 ZINC001004455671 748447325 /nfs/dbraw/zinc/44/73/25/748447325.db2.gz FKSXBBAMQVCPIJ-QGZVFWFLSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C1CCC1 ZINC001004455671 748447329 /nfs/dbraw/zinc/44/73/29/748447329.db2.gz FKSXBBAMQVCPIJ-QGZVFWFLSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C1CCC1 ZINC001004455671 748447333 /nfs/dbraw/zinc/44/73/33/748447333.db2.gz FKSXBBAMQVCPIJ-QGZVFWFLSA-N 2 2 318.465 1.697 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073807 748449004 /nfs/dbraw/zinc/44/90/04/748449004.db2.gz SVHWEEKRDJUORN-QGZVFWFLSA-N 2 2 314.389 1.341 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001108073807 748449012 /nfs/dbraw/zinc/44/90/12/748449012.db2.gz SVHWEEKRDJUORN-QGZVFWFLSA-N 2 2 314.389 1.341 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321556 748477798 /nfs/dbraw/zinc/47/77/98/748477798.db2.gz PFNDZPPKDLJNCO-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004540154 748543732 /nfs/dbraw/zinc/54/37/32/748543732.db2.gz BPNBRJMNHJMUND-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004540154 748543735 /nfs/dbraw/zinc/54/37/35/748543735.db2.gz BPNBRJMNHJMUND-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004540154 748543739 /nfs/dbraw/zinc/54/37/39/748543739.db2.gz BPNBRJMNHJMUND-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004540154 748543742 /nfs/dbraw/zinc/54/37/42/748543742.db2.gz BPNBRJMNHJMUND-WBVHZDCISA-N 2 2 318.465 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473690 749418685 /nfs/dbraw/zinc/41/86/85/749418685.db2.gz NVFMERREYLPIJC-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473690 749418688 /nfs/dbraw/zinc/41/86/88/749418688.db2.gz NVFMERREYLPIJC-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001035064907 751155049 /nfs/dbraw/zinc/15/50/49/751155049.db2.gz GKSUYJNFCZZLBD-QGZVFWFLSA-N 2 2 323.400 1.605 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419080 762115085 /nfs/dbraw/zinc/11/50/85/762115085.db2.gz AUITXDINDQEFEL-SFHVURJKSA-N 2 2 321.465 1.093 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419080 762115090 /nfs/dbraw/zinc/11/50/90/762115090.db2.gz AUITXDINDQEFEL-SFHVURJKSA-N 2 2 321.465 1.093 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245000 751327217 /nfs/dbraw/zinc/32/72/17/751327217.db2.gz GVCSFQMZPYNKBB-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245000 751327224 /nfs/dbraw/zinc/32/72/24/751327224.db2.gz GVCSFQMZPYNKBB-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250612 751329512 /nfs/dbraw/zinc/32/95/12/751329512.db2.gz PDNSPEGTRRPCPS-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250612 751329518 /nfs/dbraw/zinc/32/95/18/751329518.db2.gz PDNSPEGTRRPCPS-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998931012 752372479 /nfs/dbraw/zinc/37/24/79/752372479.db2.gz VDVXFEVXFPYHAZ-FIYWTHMPSA-N 2 2 308.813 1.845 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369967 753821731 /nfs/dbraw/zinc/82/17/31/753821731.db2.gz QQYYGQLEJKCMNJ-IRXDYDNUSA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369967 753821738 /nfs/dbraw/zinc/82/17/38/753821738.db2.gz QQYYGQLEJKCMNJ-IRXDYDNUSA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010369967 753821744 /nfs/dbraw/zinc/82/17/44/753821744.db2.gz QQYYGQLEJKCMNJ-IRXDYDNUSA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010369967 753821750 /nfs/dbraw/zinc/82/17/50/753821750.db2.gz QQYYGQLEJKCMNJ-IRXDYDNUSA-N 2 2 312.417 1.343 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001078679552 754295894 /nfs/dbraw/zinc/29/58/94/754295894.db2.gz DEPMTDIYUSSVDI-GJZGRUSLSA-N 2 2 308.385 1.598 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000975472 762431819 /nfs/dbraw/zinc/43/18/19/762431819.db2.gz GIJXJEWUVGQZNJ-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001000995414 762451880 /nfs/dbraw/zinc/45/18/80/762451880.db2.gz QHWZDVMDOCLPLJ-QGZVFWFLSA-N 2 2 321.465 1.422 20 30 DDEDLP C=CC[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001000995414 762451882 /nfs/dbraw/zinc/45/18/82/762451882.db2.gz QHWZDVMDOCLPLJ-QGZVFWFLSA-N 2 2 321.465 1.422 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001000995414 762451884 /nfs/dbraw/zinc/45/18/84/762451884.db2.gz QHWZDVMDOCLPLJ-QGZVFWFLSA-N 2 2 321.465 1.422 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001000995414 762451886 /nfs/dbraw/zinc/45/18/86/762451886.db2.gz QHWZDVMDOCLPLJ-QGZVFWFLSA-N 2 2 321.465 1.422 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082200075 756674247 /nfs/dbraw/zinc/67/42/47/756674247.db2.gz PNVURBWNAOXVJQ-BRWVUGGUSA-N 2 2 321.465 1.090 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001016259979 756883329 /nfs/dbraw/zinc/88/33/29/756883329.db2.gz YSBGMFULFCTITM-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001016259979 756883334 /nfs/dbraw/zinc/88/33/34/756883334.db2.gz YSBGMFULFCTITM-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001084344115 757535793 /nfs/dbraw/zinc/53/57/93/757535793.db2.gz NSKCGSAAQVPTLN-HZPDHXFCSA-N 2 2 310.401 1.975 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001084344115 757535799 /nfs/dbraw/zinc/53/57/99/757535799.db2.gz NSKCGSAAQVPTLN-HZPDHXFCSA-N 2 2 310.401 1.975 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC3)C[C@H]21 ZINC001084418124 757540881 /nfs/dbraw/zinc/54/08/81/757540881.db2.gz WPFALUOGCVPFAX-IXDOHACOSA-N 2 2 301.434 1.027 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CC3)C[C@H]21 ZINC001084418124 757540885 /nfs/dbraw/zinc/54/08/85/757540885.db2.gz WPFALUOGCVPFAX-IXDOHACOSA-N 2 2 301.434 1.027 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084418124 757540890 /nfs/dbraw/zinc/54/08/90/757540890.db2.gz WPFALUOGCVPFAX-IXDOHACOSA-N 2 2 301.434 1.027 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084418124 757540891 /nfs/dbraw/zinc/54/08/91/757540891.db2.gz WPFALUOGCVPFAX-IXDOHACOSA-N 2 2 301.434 1.027 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691593 757778561 /nfs/dbraw/zinc/77/85/61/757778561.db2.gz USHBDAHGQVBIQJ-BZUAXINKSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084691593 757778572 /nfs/dbraw/zinc/77/85/72/757778572.db2.gz USHBDAHGQVBIQJ-BZUAXINKSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057404 758115858 /nfs/dbraw/zinc/11/58/58/758115858.db2.gz JFSSUXHKAUQTLX-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057404 758115865 /nfs/dbraw/zinc/11/58/65/758115865.db2.gz JFSSUXHKAUQTLX-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619617 758638742 /nfs/dbraw/zinc/63/87/42/758638742.db2.gz UFVCHEAIAWDFCC-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619617 758638745 /nfs/dbraw/zinc/63/87/45/758638745.db2.gz UFVCHEAIAWDFCC-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001040786800 762680607 /nfs/dbraw/zinc/68/06/07/762680607.db2.gz JBGCAPLQHLIEIN-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227260 759316291 /nfs/dbraw/zinc/31/62/91/759316291.db2.gz GAONKCSLACZYCJ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054227260 759316300 /nfs/dbraw/zinc/31/63/00/759316300.db2.gz GAONKCSLACZYCJ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227877 759317723 /nfs/dbraw/zinc/31/77/23/759317723.db2.gz LSKKSMUBYNQOBG-SFHVURJKSA-N 2 2 314.433 1.635 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227877 759317732 /nfs/dbraw/zinc/31/77/32/759317732.db2.gz LSKKSMUBYNQOBG-SFHVURJKSA-N 2 2 314.433 1.635 20 30 DDEDLP N#Cc1ncc(Cl)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259585 767911137 /nfs/dbraw/zinc/91/11/37/767911137.db2.gz SEDAYWCNLOKKPN-JTQLQIEISA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1ncc(Cl)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259585 767911140 /nfs/dbraw/zinc/91/11/40/767911140.db2.gz SEDAYWCNLOKKPN-JTQLQIEISA-N 2 2 306.801 1.003 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001054941545 760209585 /nfs/dbraw/zinc/20/95/85/760209585.db2.gz LXJAIDKVZHNIDU-PBHICJAKSA-N 2 2 308.385 1.556 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001019809401 760262439 /nfs/dbraw/zinc/26/24/39/760262439.db2.gz AKUKCQPUZVQUIG-HNNXBMFYSA-N 2 2 319.474 1.873 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001019809401 760262444 /nfs/dbraw/zinc/26/24/44/760262444.db2.gz AKUKCQPUZVQUIG-HNNXBMFYSA-N 2 2 319.474 1.873 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215278 760398822 /nfs/dbraw/zinc/39/88/22/760398822.db2.gz COVFGWPGIIQDSK-QGZVFWFLSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108215278 760398833 /nfs/dbraw/zinc/39/88/33/760398833.db2.gz COVFGWPGIIQDSK-QGZVFWFLSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215278 760398842 /nfs/dbraw/zinc/39/88/42/760398842.db2.gz COVFGWPGIIQDSK-QGZVFWFLSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001108215278 760398852 /nfs/dbraw/zinc/39/88/52/760398852.db2.gz COVFGWPGIIQDSK-QGZVFWFLSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895077 760482158 /nfs/dbraw/zinc/48/21/58/760482158.db2.gz SOUMLJRTUNCBMO-MRXNPFEDSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895077 760482164 /nfs/dbraw/zinc/48/21/64/760482164.db2.gz SOUMLJRTUNCBMO-MRXNPFEDSA-N 2 2 311.389 1.600 20 30 DDEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001038271635 760963721 /nfs/dbraw/zinc/96/37/21/760963721.db2.gz FGQZEVSFJIXVPX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001038271635 760963727 /nfs/dbraw/zinc/96/37/27/760963727.db2.gz FGQZEVSFJIXVPX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001038271635 760963732 /nfs/dbraw/zinc/96/37/32/760963732.db2.gz FGQZEVSFJIXVPX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001038271635 760963735 /nfs/dbraw/zinc/96/37/35/760963735.db2.gz FGQZEVSFJIXVPX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006804 763013485 /nfs/dbraw/zinc/01/34/85/763013485.db2.gz RKWGNDJTDBGTPF-BBWFWOEESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006804 763013489 /nfs/dbraw/zinc/01/34/89/763013489.db2.gz RKWGNDJTDBGTPF-BBWFWOEESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006804 763013495 /nfs/dbraw/zinc/01/34/95/763013495.db2.gz RKWGNDJTDBGTPF-BBWFWOEESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006804 763013501 /nfs/dbraw/zinc/01/35/01/763013501.db2.gz RKWGNDJTDBGTPF-BBWFWOEESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787625 763331455 /nfs/dbraw/zinc/33/14/55/763331455.db2.gz QMIGIRKSKZXBIF-KRWDZBQOSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787625 763331462 /nfs/dbraw/zinc/33/14/62/763331462.db2.gz QMIGIRKSKZXBIF-KRWDZBQOSA-N 2 2 302.422 1.798 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001050611971 763821833 /nfs/dbraw/zinc/82/18/33/763821833.db2.gz IXBRWFSSEIGZOZ-UHFFFAOYSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310094 763896375 /nfs/dbraw/zinc/89/63/75/763896375.db2.gz QIAOERPWIHIMDY-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310094 763896389 /nfs/dbraw/zinc/89/63/89/763896389.db2.gz QIAOERPWIHIMDY-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001112920496 764975178 /nfs/dbraw/zinc/97/51/78/764975178.db2.gz FISCIDDYDWFKFB-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001112920496 764975184 /nfs/dbraw/zinc/97/51/84/764975184.db2.gz FISCIDDYDWFKFB-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C[NH+](C)CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001113300418 765531732 /nfs/dbraw/zinc/53/17/32/765531732.db2.gz UZULKZNWAUIEHG-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502883 765894021 /nfs/dbraw/zinc/89/40/21/765894021.db2.gz OQMUJFNUBWOONO-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052502883 765894029 /nfs/dbraw/zinc/89/40/29/765894029.db2.gz OQMUJFNUBWOONO-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682678 766015074 /nfs/dbraw/zinc/01/50/74/766015074.db2.gz NAWVKHVLIZXEDW-INIZCTEOSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682678 766015079 /nfs/dbraw/zinc/01/50/79/766015079.db2.gz NAWVKHVLIZXEDW-INIZCTEOSA-N 2 2 309.454 1.208 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001045218661 766163933 /nfs/dbraw/zinc/16/39/33/766163933.db2.gz XAHKEPYDMSWJLH-KRWDZBQOSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553295 766397280 /nfs/dbraw/zinc/39/72/80/766397280.db2.gz MSKHZXSVXLVNKD-CQSZACIVSA-N 2 2 314.433 1.824 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001129897493 767049236 /nfs/dbraw/zinc/04/92/36/767049236.db2.gz HAIVEUFMBZCASZ-HUUCEWRRSA-N 2 2 309.373 1.291 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001129897493 767049246 /nfs/dbraw/zinc/04/92/46/767049246.db2.gz HAIVEUFMBZCASZ-HUUCEWRRSA-N 2 2 309.373 1.291 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478241 767548241 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XDTMVFPUSHEREO-SQNIBIBYSA-N 2 2 311.429 1.473 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110194219 778106424 /nfs/dbraw/zinc/10/64/24/778106424.db2.gz XDTMVFPUSHEREO-SQNIBIBYSA-N 2 2 311.429 1.473 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162518 778680962 /nfs/dbraw/zinc/68/09/62/778680962.db2.gz AIHUSIOLFDJPCE-OAGGEKHMSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162518 778680970 /nfs/dbraw/zinc/68/09/70/778680970.db2.gz AIHUSIOLFDJPCE-OAGGEKHMSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425963 778860494 /nfs/dbraw/zinc/86/04/94/778860494.db2.gz YFCVAEKCRBJXKE-RBSFLKMASA-N 2 2 314.433 1.537 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425963 778860502 /nfs/dbraw/zinc/86/05/02/778860502.db2.gz YFCVAEKCRBJXKE-RBSFLKMASA-N 2 2 314.433 1.537 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574207 778951153 /nfs/dbraw/zinc/95/11/53/778951153.db2.gz FMLXFRKEURCVOV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574207 778951159 /nfs/dbraw/zinc/95/11/59/778951159.db2.gz FMLXFRKEURCVOV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178864649 779202889 /nfs/dbraw/zinc/20/28/89/779202889.db2.gz LFBOFVYANORXOM-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296556 837773254 /nfs/dbraw/zinc/77/32/54/837773254.db2.gz PSZZIPJTEXTHDS-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296556 837773264 /nfs/dbraw/zinc/77/32/64/837773264.db2.gz PSZZIPJTEXTHDS-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460714 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1.167 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001272111995 844622722 /nfs/dbraw/zinc/62/27/22/844622722.db2.gz YTKRREDNEOTEDL-OAHLLOKOSA-N 2 2 302.422 1.167 20 30 DDEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408386 841610901 /nfs/dbraw/zinc/61/09/01/841610901.db2.gz OHTDFUHKLWZYFT-BBRMVZONSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408386 841610908 /nfs/dbraw/zinc/61/09/08/841610908.db2.gz OHTDFUHKLWZYFT-BBRMVZONSA-N 2 2 319.453 1.851 20 30 DDEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269622321 841839209 /nfs/dbraw/zinc/83/92/09/841839209.db2.gz GJZFXLZGQQHBAR-AEFFLSMTSA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001270682151 842815784 /nfs/dbraw/zinc/81/57/84/842815784.db2.gz IRVKKHABOAXPJN-HZPDHXFCSA-N 2 2 311.470 1.500 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001270682151 842815791 /nfs/dbraw/zinc/81/57/91/842815791.db2.gz IRVKKHABOAXPJN-HZPDHXFCSA-N 2 2 311.470 1.500 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001271638988 843749237 /nfs/dbraw/zinc/74/92/37/843749237.db2.gz JDPARBQFGOWVLU-GJZGRUSLSA-N 2 2 310.401 1.655 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279155385 844787132 /nfs/dbraw/zinc/78/71/32/844787132.db2.gz AKJBCPUUXMJHMD-CABCVRRESA-N 2 2 302.422 1.684 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272281800 845993516 /nfs/dbraw/zinc/99/35/16/845993516.db2.gz VMIVCHIPUDABSP-LSDHHAIUSA-N 2 2 304.438 1.987 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001272502733 846229247 /nfs/dbraw/zinc/22/92/47/846229247.db2.gz LFJXFEXBCHARLT-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279015 848238724 /nfs/dbraw/zinc/23/87/24/848238724.db2.gz NVWYYYWDZKLECV-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279015 848238731 /nfs/dbraw/zinc/23/87/31/848238731.db2.gz NVWYYYWDZKLECV-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279015 848238738 /nfs/dbraw/zinc/23/87/38/848238738.db2.gz NVWYYYWDZKLECV-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279015 848238746 /nfs/dbraw/zinc/23/87/46/848238746.db2.gz NVWYYYWDZKLECV-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034280816 848244445 /nfs/dbraw/zinc/24/44/45/848244445.db2.gz HGAYANOZIRVZEQ-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034280816 848244448 /nfs/dbraw/zinc/24/44/48/848244448.db2.gz HGAYANOZIRVZEQ-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321305 861958632 /nfs/dbraw/zinc/95/86/32/861958632.db2.gz LYUKZQOTYPDUDG-RBSFLKMASA-N 2 2 302.422 1.374 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321305 861958637 /nfs/dbraw/zinc/95/86/37/861958637.db2.gz LYUKZQOTYPDUDG-RBSFLKMASA-N 2 2 302.422 1.374 20 30 DDEDLP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001327251798 861999647 /nfs/dbraw/zinc/99/96/47/861999647.db2.gz LXSFNGSIANQGKR-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001327251798 861999654 /nfs/dbraw/zinc/99/96/54/861999654.db2.gz LXSFNGSIANQGKR-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001327251798 861999665 /nfs/dbraw/zinc/99/96/65/861999665.db2.gz LXSFNGSIANQGKR-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001327251798 861999674 /nfs/dbraw/zinc/99/96/74/861999674.db2.gz LXSFNGSIANQGKR-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)CN1CC[C@@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863747 851435664 /nfs/dbraw/zinc/43/56/64/851435664.db2.gz NJDIUAKWWFTYAA-QAPCUYQASA-N 2 2 323.481 1.378 20 30 DDEDLP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863747 851435657 /nfs/dbraw/zinc/43/56/57/851435657.db2.gz NJDIUAKWWFTYAA-QAPCUYQASA-N 2 2 323.481 1.378 20 30 DDEDLP C=CCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001273987194 851783781 /nfs/dbraw/zinc/78/37/81/851783781.db2.gz DZCXKALDLMEYPL-UHFFFAOYSA-N 2 2 306.410 1.104 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826033 862485565 /nfs/dbraw/zinc/48/55/65/862485565.db2.gz ZOFSZWKQEMSZMQ-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826033 862485573 /nfs/dbraw/zinc/48/55/73/862485573.db2.gz ZOFSZWKQEMSZMQ-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP Cc1[nH+]c[nH]c1CN1CC2(C1)CC[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001276206388 854960502 /nfs/dbraw/zinc/96/05/02/854960502.db2.gz GRUJHPKWDHBAIB-UHFFFAOYSA-N 2 2 324.432 1.636 20 30 DDEDLP Cc1[nH+]c[nH]c1CN1CC2(C1)CC[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001276206388 854960506 /nfs/dbraw/zinc/96/05/06/854960506.db2.gz GRUJHPKWDHBAIB-UHFFFAOYSA-N 2 2 324.432 1.636 20 30 DDEDLP CC#CC[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001328007079 862629795 /nfs/dbraw/zinc/62/97/95/862629795.db2.gz MWQWAZPYBIGCMW-UHFFFAOYSA-N 2 2 302.422 1.347 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256942 863686115 /nfs/dbraw/zinc/68/61/15/863686115.db2.gz LUSBHXDXHNOSEK-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159474 864112481 /nfs/dbraw/zinc/11/24/81/864112481.db2.gz GSRMKDJQCAFZOK-WMZOPIPTSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159474 864112490 /nfs/dbraw/zinc/11/24/90/864112490.db2.gz GSRMKDJQCAFZOK-WMZOPIPTSA-N 2 2 323.481 1.596 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154093207 864403554 /nfs/dbraw/zinc/40/35/54/864403554.db2.gz VCHMQSLIKBSULW-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154093207 864403560 /nfs/dbraw/zinc/40/35/60/864403560.db2.gz VCHMQSLIKBSULW-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001330852786 864655226 /nfs/dbraw/zinc/65/52/26/864655226.db2.gz SMJONCMEBWAERM-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468550 864673843 /nfs/dbraw/zinc/67/38/43/864673843.db2.gz VQKOJTMVCICENJ-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468550 864673846 /nfs/dbraw/zinc/67/38/46/864673846.db2.gz VQKOJTMVCICENJ-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158472074 864676042 /nfs/dbraw/zinc/67/60/42/864676042.db2.gz SEXZMCFWNWZASY-HNNXBMFYSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158472074 864676047 /nfs/dbraw/zinc/67/60/47/864676047.db2.gz SEXZMCFWNWZASY-HNNXBMFYSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820598 866132902 /nfs/dbraw/zinc/13/29/02/866132902.db2.gz OBNBVGYEEZKDDV-UHFFFAOYSA-N 2 2 308.426 1.225 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001319790248 866294635 /nfs/dbraw/zinc/29/46/35/866294635.db2.gz IDQACNJQMYTWAQ-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001319862895 866352268 /nfs/dbraw/zinc/35/22/68/866352268.db2.gz HZCQUCFADCUJHZ-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161151337 866411658 /nfs/dbraw/zinc/41/16/58/866411658.db2.gz WHIUDHIFWRYMRB-SFHVURJKSA-N 2 2 322.412 1.570 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320471478 866763887 /nfs/dbraw/zinc/76/38/87/866763887.db2.gz XLSKCTYHBDAIRC-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317044352 870158521 /nfs/dbraw/zinc/15/85/21/870158521.db2.gz LIKUKIFLQXVJQS-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317044352 870158530 /nfs/dbraw/zinc/15/85/30/870158530.db2.gz LIKUKIFLQXVJQS-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317044352 870158537 /nfs/dbraw/zinc/15/85/37/870158537.db2.gz LIKUKIFLQXVJQS-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317044352 870158542 /nfs/dbraw/zinc/15/85/42/870158542.db2.gz LIKUKIFLQXVJQS-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001318543490 872141468 /nfs/dbraw/zinc/14/14/68/872141468.db2.gz XREHYMJBQHBTIX-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761741 873542526 /nfs/dbraw/zinc/54/25/26/873542526.db2.gz OAGMUYQOVSBTAE-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207761741 873542530 /nfs/dbraw/zinc/54/25/30/873542530.db2.gz OAGMUYQOVSBTAE-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208454556 874157376 /nfs/dbraw/zinc/15/73/76/874157376.db2.gz XYOIXMYCDOLVCA-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128211 882858933 /nfs/dbraw/zinc/85/89/33/882858933.db2.gz QGEFQPJEPJAQSY-USXIJHARSA-N 2 2 314.433 1.486 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227127379 882859815 /nfs/dbraw/zinc/85/98/15/882859815.db2.gz HGHHTFMJPMQJFN-USXIJHARSA-N 2 2 314.433 1.486 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209576805 874983331 /nfs/dbraw/zinc/98/33/31/874983331.db2.gz AIPVYQQIXKKXSS-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669515 875482727 /nfs/dbraw/zinc/48/27/27/875482727.db2.gz YCTFTJRCZQYBCL-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293706 875746220 /nfs/dbraw/zinc/74/62/20/875746220.db2.gz NRKZGGHWVMMLEE-SJORKVTESA-N 2 2 316.449 1.841 20 30 DDEDLP N#Cc1c2ccccc2sc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218649338 877636898 /nfs/dbraw/zinc/63/68/98/877636898.db2.gz WPZGAZWVBINWQN-HSMVNMDESA-N 2 2 312.398 1.933 20 30 DDEDLP N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)n2)s1 ZINC001218788343 877726066 /nfs/dbraw/zinc/72/60/66/877726066.db2.gz SXUBFHUSDBJPRS-APPZFPTMSA-N 2 2 319.415 1.371 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001359029894 881161724 /nfs/dbraw/zinc/16/17/24/881161724.db2.gz JWXKEQCGSNBAAZ-UHFFFAOYSA-N 2 2 318.469 1.072 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+](CC)C(C)C)CC1 ZINC001359029894 881161728 /nfs/dbraw/zinc/16/17/28/881161728.db2.gz JWXKEQCGSNBAAZ-UHFFFAOYSA-N 2 2 318.469 1.072 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306178 881319624 /nfs/dbraw/zinc/31/96/24/881319624.db2.gz FPVAIDUPFLSXKD-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306178 881319643 /nfs/dbraw/zinc/31/96/43/881319643.db2.gz FPVAIDUPFLSXKD-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403355 887937228 /nfs/dbraw/zinc/93/72/28/887937228.db2.gz USYUFTMPVIBHQT-GJZGRUSLSA-N 2 2 302.422 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234403355 887937232 /nfs/dbraw/zinc/93/72/32/887937232.db2.gz USYUFTMPVIBHQT-GJZGRUSLSA-N 2 2 302.422 1.563 20 30 DDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635940 888826873 /nfs/dbraw/zinc/82/68/73/888826873.db2.gz ZYOQQYASZXYZLV-VYDXJSESSA-N 2 2 310.438 1.537 20 30 DDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635940 888826885 /nfs/dbraw/zinc/82/68/85/888826885.db2.gz ZYOQQYASZXYZLV-VYDXJSESSA-N 2 2 310.438 1.537 20 30 DDEDLP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278510429 893755835 /nfs/dbraw/zinc/75/58/35/893755835.db2.gz AAISKLYDCHGVKZ-CRAIPNDOSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278569893 894292429 /nfs/dbraw/zinc/29/24/29/894292429.db2.gz ABLSOJZAHBLFBX-HOCLYGCPSA-N 2 2 315.417 1.531 20 30 DDEDLP C=CCCCCCC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001253243153 895746181 /nfs/dbraw/zinc/74/61/81/895746181.db2.gz SBUGGINZITVECM-SFHVURJKSA-N 2 2 309.498 1.806 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCC(C)(C)CO)cc2F)CC1 ZINC001256543218 897471654 /nfs/dbraw/zinc/47/16/54/897471654.db2.gz PORQNVZWHIPVOZ-UHFFFAOYSA-N 2 2 322.428 1.520 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001262977516 900453118 /nfs/dbraw/zinc/45/31/18/900453118.db2.gz HJODSDDGFKUHQT-HNNXBMFYSA-N 2 2 316.453 1.515 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001262977516 900453124 /nfs/dbraw/zinc/45/31/24/900453124.db2.gz HJODSDDGFKUHQT-HNNXBMFYSA-N 2 2 316.453 1.515 20 30 DDEDLP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263994735 900863898 /nfs/dbraw/zinc/86/38/98/900863898.db2.gz BEKMZHIBQDKBBF-PMPSAXMXSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001280083871 903510281 /nfs/dbraw/zinc/51/02/81/903510281.db2.gz MUJCLJKYMSCARY-RBSFLKMASA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001280083871 903510287 /nfs/dbraw/zinc/51/02/87/903510287.db2.gz MUJCLJKYMSCARY-RBSFLKMASA-N 2 2 300.406 1.365 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282230367 905630884 /nfs/dbraw/zinc/63/08/84/905630884.db2.gz VNHBVQUOHWZNIR-GJZGRUSLSA-N 2 2 324.428 1.795 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001284630254 909275539 /nfs/dbraw/zinc/27/55/39/909275539.db2.gz IQMSYWLTKMFGLJ-HUUCEWRRSA-N 2 2 304.438 1.978 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001394323094 909341014 /nfs/dbraw/zinc/34/10/14/909341014.db2.gz OZRNOTOOUNVGSU-QKDCVEJESA-N 2 2 322.840 1.399 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001394323094 909341031 /nfs/dbraw/zinc/34/10/31/909341031.db2.gz OZRNOTOOUNVGSU-QKDCVEJESA-N 2 2 322.840 1.399 20 30 DDEDLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329324949 539303188 /nfs/dbraw/zinc/30/31/88/539303188.db2.gz VUCBLWDLWPYZMT-ZDUSSCGKSA-N 2 2 303.410 1.671 20 30 DDEDLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329324949 539303189 /nfs/dbraw/zinc/30/31/89/539303189.db2.gz VUCBLWDLWPYZMT-ZDUSSCGKSA-N 2 2 303.410 1.671 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000265988338 186350073 /nfs/dbraw/zinc/35/00/73/186350073.db2.gz ILIWJCGLCVPCCV-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C ZINC000265988338 186350076 /nfs/dbraw/zinc/35/00/76/186350076.db2.gz ILIWJCGLCVPCCV-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988338 186350078 /nfs/dbraw/zinc/35/00/78/186350078.db2.gz ILIWJCGLCVPCCV-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC[NH+]1C ZINC000265988338 186350079 /nfs/dbraw/zinc/35/00/79/186350079.db2.gz ILIWJCGLCVPCCV-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](C#N)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066469032 352998874 /nfs/dbraw/zinc/99/88/74/352998874.db2.gz DQIPCTQHRVSKCX-OAHLLOKOSA-N 2 2 315.421 1.212 20 30 DDEDLP C[C@H](C#N)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066469032 352998875 /nfs/dbraw/zinc/99/88/75/352998875.db2.gz DQIPCTQHRVSKCX-OAHLLOKOSA-N 2 2 315.421 1.212 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000321485397 354532028 /nfs/dbraw/zinc/53/20/28/354532028.db2.gz RRRJJKNAPRDNGA-MRXNPFEDSA-N 2 2 314.389 1.564 20 30 DDEDLP C[C@@H]1C[C@@]1(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000590671508 355142581 /nfs/dbraw/zinc/14/25/81/355142581.db2.gz QYRDZGGHCFQGEF-QAPCUYQASA-N 2 2 318.465 1.603 20 30 DDEDLP C=C[C@H](C(=O)OC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000591478043 355320779 /nfs/dbraw/zinc/32/07/79/355320779.db2.gz OEJPEAFFRVLCAM-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C[C@H](C(=O)OC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000591478043 355320785 /nfs/dbraw/zinc/32/07/85/355320785.db2.gz OEJPEAFFRVLCAM-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592500374 355602766 /nfs/dbraw/zinc/60/27/66/355602766.db2.gz QXEIPTYCIYRQEH-UHFFFAOYSA-N 2 2 312.421 1.907 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592500374 355602769 /nfs/dbraw/zinc/60/27/69/355602769.db2.gz QXEIPTYCIYRQEH-UHFFFAOYSA-N 2 2 312.421 1.907 20 30 DDEDLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000593155497 355814038 /nfs/dbraw/zinc/81/40/38/355814038.db2.gz WMHOZAFGCZNUOF-INIZCTEOSA-N 2 2 306.410 1.695 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000594438070 356214913 /nfs/dbraw/zinc/21/49/13/356214913.db2.gz ZJRRNKKELDNQMV-INIZCTEOSA-N 2 2 315.421 1.137 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000594441023 356216934 /nfs/dbraw/zinc/21/69/34/356216934.db2.gz LCVSUYWCTKKXCL-CQSZACIVSA-N 2 2 303.410 1.289 20 30 DDEDLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000601331516 358501784 /nfs/dbraw/zinc/50/17/84/358501784.db2.gz CGOMYQMDQFHBIW-INIZCTEOSA-N 2 2 302.422 1.269 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000329793133 223030661 /nfs/dbraw/zinc/03/06/61/223030661.db2.gz AUBISPXRYRTVFG-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000329793133 223030665 /nfs/dbraw/zinc/03/06/65/223030665.db2.gz AUBISPXRYRTVFG-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329793133 223030667 /nfs/dbraw/zinc/03/06/67/223030667.db2.gz AUBISPXRYRTVFG-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329793133 223030671 /nfs/dbraw/zinc/03/06/71/223030671.db2.gz AUBISPXRYRTVFG-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC000611372645 360707267 /nfs/dbraw/zinc/70/72/67/360707267.db2.gz JWZZNPBUQBAKHC-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC000611372645 360707271 /nfs/dbraw/zinc/70/72/71/360707271.db2.gz JWZZNPBUQBAKHC-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000109787109 194285412 /nfs/dbraw/zinc/28/54/12/194285412.db2.gz UMGWUHXOGFDJNM-QGZVFWFLSA-N 2 2 308.470 1.847 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000109787109 194285414 /nfs/dbraw/zinc/28/54/14/194285414.db2.gz UMGWUHXOGFDJNM-QGZVFWFLSA-N 2 2 308.470 1.847 20 30 DDEDLP C=C(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000187792388 407895660 /nfs/dbraw/zinc/89/56/60/407895660.db2.gz YDIRNXBXJYKALA-QGZVFWFLSA-N 2 2 323.387 1.946 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156376741 408250498 /nfs/dbraw/zinc/25/04/98/408250498.db2.gz FVFUWNVOQGCVFO-RDJZCZTQSA-N 2 2 316.405 1.589 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156376741 408250503 /nfs/dbraw/zinc/25/05/03/408250503.db2.gz FVFUWNVOQGCVFO-RDJZCZTQSA-N 2 2 316.405 1.589 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000157250594 408295142 /nfs/dbraw/zinc/29/51/42/408295142.db2.gz QXPVRROKVLVVIL-FUHWJXTLSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000157250594 408295149 /nfs/dbraw/zinc/29/51/49/408295149.db2.gz QXPVRROKVLVVIL-FUHWJXTLSA-N 2 2 318.465 1.745 20 30 DDEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000274414877 408397794 /nfs/dbraw/zinc/39/77/94/408397794.db2.gz PJAFDFVULQWCED-UHFFFAOYSA-N 2 2 304.438 1.440 20 30 DDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000274414877 408397799 /nfs/dbraw/zinc/39/77/99/408397799.db2.gz PJAFDFVULQWCED-UHFFFAOYSA-N 2 2 304.438 1.440 20 30 DDEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282169168 409003816 /nfs/dbraw/zinc/00/38/16/409003816.db2.gz DWGYBKJWZKWJJI-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000282169168 409003820 /nfs/dbraw/zinc/00/38/20/409003820.db2.gz DWGYBKJWZKWJJI-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000292791229 409042445 /nfs/dbraw/zinc/04/24/45/409042445.db2.gz MNJVQINCISURST-OAHLLOKOSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000292791229 409042447 /nfs/dbraw/zinc/04/24/47/409042447.db2.gz MNJVQINCISURST-OAHLLOKOSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000292791229 409042448 /nfs/dbraw/zinc/04/24/48/409042448.db2.gz MNJVQINCISURST-OAHLLOKOSA-N 2 2 317.437 1.052 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000292791229 409042450 /nfs/dbraw/zinc/04/24/50/409042450.db2.gz MNJVQINCISURST-OAHLLOKOSA-N 2 2 317.437 1.052 20 30 DDEDLP O=C(CN1CCn2cc[nH+]c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000329036128 410063190 /nfs/dbraw/zinc/06/31/90/410063190.db2.gz YRLGIXRDDFVYKP-UHFFFAOYSA-N 2 2 303.410 1.282 20 30 DDEDLP CN(C(=O)CC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000357657901 410168401 /nfs/dbraw/zinc/16/84/01/410168401.db2.gz OAWMHTIMTMTLJH-CVEARBPZSA-N 2 2 306.454 1.696 20 30 DDEDLP CN(C(=O)CC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357657901 410168407 /nfs/dbraw/zinc/16/84/07/410168407.db2.gz OAWMHTIMTMTLJH-CVEARBPZSA-N 2 2 306.454 1.696 20 30 DDEDLP C=CCOCCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348128128 410833753 /nfs/dbraw/zinc/83/37/53/410833753.db2.gz ZAJNUHCYBADYOH-HZPDHXFCSA-N 2 2 324.444 1.857 20 30 DDEDLP C=CCOCCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348128128 410833759 /nfs/dbraw/zinc/83/37/59/410833759.db2.gz ZAJNUHCYBADYOH-HZPDHXFCSA-N 2 2 324.444 1.857 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000192219652 222122783 /nfs/dbraw/zinc/12/27/83/222122783.db2.gz JQYPZYPOMHEULM-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000192219652 222122788 /nfs/dbraw/zinc/12/27/88/222122788.db2.gz JQYPZYPOMHEULM-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000192219652 222122792 /nfs/dbraw/zinc/12/27/92/222122792.db2.gz JQYPZYPOMHEULM-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247646319 222230778 /nfs/dbraw/zinc/23/07/78/222230778.db2.gz UKJPHFBWZDPPMC-WMZOPIPTSA-N 2 2 320.481 1.849 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247646319 222230781 /nfs/dbraw/zinc/23/07/81/222230781.db2.gz UKJPHFBWZDPPMC-WMZOPIPTSA-N 2 2 320.481 1.849 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N(C)C[C@@H]1CCOC1 ZINC000261740965 222256431 /nfs/dbraw/zinc/25/64/31/222256431.db2.gz ZLNNKOVUPTYJJH-ZDUSSCGKSA-N 2 2 305.426 1.263 20 30 DDEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)CCO1 ZINC000262464306 222282119 /nfs/dbraw/zinc/28/21/19/222282119.db2.gz NENDOOXSTCFINO-GFCCVEGCSA-N 2 2 308.451 1.142 20 30 DDEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCc3sccc3C2)CCO1 ZINC000262464306 222282122 /nfs/dbraw/zinc/28/21/22/222282122.db2.gz NENDOOXSTCFINO-GFCCVEGCSA-N 2 2 308.451 1.142 20 30 DDEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000264130318 222322015 /nfs/dbraw/zinc/32/20/15/222322015.db2.gz UAGPRBBGWQGBBS-QGZVFWFLSA-N 2 2 316.449 1.734 20 30 DDEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000264130318 222322019 /nfs/dbraw/zinc/32/20/19/222322019.db2.gz UAGPRBBGWQGBBS-QGZVFWFLSA-N 2 2 316.449 1.734 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(CC#N)c2)CC1 ZINC000267280272 222381553 /nfs/dbraw/zinc/38/15/53/222381553.db2.gz RZASPYMWZDZGQQ-UHFFFAOYSA-N 2 2 314.433 1.508 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000375501894 418650052 /nfs/dbraw/zinc/65/00/52/418650052.db2.gz HMNVEPRUTKVBHN-CDHAZOANSA-N 2 2 323.400 1.962 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000370385719 418743994 /nfs/dbraw/zinc/74/39/94/418743994.db2.gz CTDRRTAEGJQWPU-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371543949 418799640 /nfs/dbraw/zinc/79/96/40/418799640.db2.gz RRKUMJJFAVREQX-INIZCTEOSA-N 2 2 302.422 1.577 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371543949 418799642 /nfs/dbraw/zinc/79/96/42/418799642.db2.gz RRKUMJJFAVREQX-INIZCTEOSA-N 2 2 302.422 1.577 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424135839 228233352 /nfs/dbraw/zinc/23/33/52/228233352.db2.gz PQNCEQDABRCIFP-ZDUSSCGKSA-N 2 2 301.325 1.971 20 30 DDEDLP COCC[NH2+]CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423346609 420020484 /nfs/dbraw/zinc/02/04/84/420020484.db2.gz YVZJTKDSLCEQNO-UHFFFAOYSA-N 2 2 302.422 1.353 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000547276300 421319397 /nfs/dbraw/zinc/31/93/97/421319397.db2.gz FEVFNSWCLMQSRN-UHFFFAOYSA-N 2 2 321.384 1.374 20 30 DDEDLP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000562960610 421430928 /nfs/dbraw/zinc/43/09/28/421430928.db2.gz RBGUMYKQRZIRCB-COXVUDFISA-N 2 2 312.417 1.784 20 30 DDEDLP C[NH+]1CCC(CNc2cncc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000581124386 421903713 /nfs/dbraw/zinc/90/37/13/421903713.db2.gz SFOIFYITUOUAIS-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000575796625 422326749 /nfs/dbraw/zinc/32/67/49/422326749.db2.gz FRDKSARAYDIECO-DAYGRLMNSA-N 2 2 317.433 1.160 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000575796625 422326754 /nfs/dbraw/zinc/32/67/54/422326754.db2.gz FRDKSARAYDIECO-DAYGRLMNSA-N 2 2 317.433 1.160 20 30 DDEDLP C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000662254050 424509943 /nfs/dbraw/zinc/50/99/43/424509943.db2.gz YXAYXMVUPPRISV-MRXNPFEDSA-N 2 2 320.458 1.507 20 30 DDEDLP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000662254050 424509947 /nfs/dbraw/zinc/50/99/47/424509947.db2.gz YXAYXMVUPPRISV-MRXNPFEDSA-N 2 2 320.458 1.507 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000533867464 332226111 /nfs/dbraw/zinc/22/61/11/332226111.db2.gz NJQARGHYKFKLCJ-BLLLJJGKSA-N 2 2 301.394 1.018 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000533867464 332226112 /nfs/dbraw/zinc/22/61/12/332226112.db2.gz NJQARGHYKFKLCJ-BLLLJJGKSA-N 2 2 301.394 1.018 20 30 DDEDLP C=CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000171953020 341788829 /nfs/dbraw/zinc/78/88/29/341788829.db2.gz TZLQNFHFUCHLBI-UHFFFAOYSA-N 2 2 309.454 1.111 20 30 DDEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000329882792 534241165 /nfs/dbraw/zinc/24/11/65/534241165.db2.gz QJHZIRSYEIJIDF-AWEZNQCLSA-N 2 2 314.389 1.816 20 30 DDEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000329882792 534241166 /nfs/dbraw/zinc/24/11/66/534241166.db2.gz QJHZIRSYEIJIDF-AWEZNQCLSA-N 2 2 314.389 1.816 20 30 DDEDLP C=C(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000348227630 526509372 /nfs/dbraw/zinc/50/93/72/526509372.db2.gz DWAAGCQEXSHTFV-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=C(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000348227630 526509377 /nfs/dbraw/zinc/50/93/77/526509377.db2.gz DWAAGCQEXSHTFV-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)CC1 ZINC000491546327 526937166 /nfs/dbraw/zinc/93/71/66/526937166.db2.gz VMHRODVXTPONFV-OAHLLOKOSA-N 2 2 318.421 1.664 20 30 DDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)CC1 ZINC000491546327 526937173 /nfs/dbraw/zinc/93/71/73/526937173.db2.gz VMHRODVXTPONFV-OAHLLOKOSA-N 2 2 318.421 1.664 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000491219561 526950098 /nfs/dbraw/zinc/95/00/98/526950098.db2.gz GFHMRFXGTMZRQL-UHFFFAOYSA-N 2 2 315.392 1.182 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490867071 527028836 /nfs/dbraw/zinc/02/88/36/527028836.db2.gz YXFDAKBHBFTKPD-WMZOPIPTSA-N 2 2 324.428 1.969 20 30 DDEDLP C=CCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000342436178 527309273 /nfs/dbraw/zinc/30/92/73/527309273.db2.gz KEOBSXBLWDHTRP-UHFFFAOYSA-N 2 2 308.470 1.763 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000329908777 527961410 /nfs/dbraw/zinc/96/14/10/527961410.db2.gz MCANTHCTDZJZFZ-ILXRZTDVSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000329908777 527961415 /nfs/dbraw/zinc/96/14/15/527961415.db2.gz MCANTHCTDZJZFZ-ILXRZTDVSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000329908777 527961418 /nfs/dbraw/zinc/96/14/18/527961418.db2.gz MCANTHCTDZJZFZ-ILXRZTDVSA-N 2 2 319.453 1.774 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000329908777 527961423 /nfs/dbraw/zinc/96/14/23/527961423.db2.gz MCANTHCTDZJZFZ-ILXRZTDVSA-N 2 2 319.453 1.774 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208075 696707999 /nfs/dbraw/zinc/70/79/99/696707999.db2.gz MRLBGIOZTFSSSO-HRCADAONSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208075 696708000 /nfs/dbraw/zinc/70/80/00/696708000.db2.gz MRLBGIOZTFSSSO-HRCADAONSA-N 2 2 314.433 1.203 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374145 695233168 /nfs/dbraw/zinc/23/31/68/695233168.db2.gz OVGHRSTYQVIIIU-WMZOPIPTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374145 695233171 /nfs/dbraw/zinc/23/31/71/695233171.db2.gz OVGHRSTYQVIIIU-WMZOPIPTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374145 695233173 /nfs/dbraw/zinc/23/31/73/695233173.db2.gz OVGHRSTYQVIIIU-WMZOPIPTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374145 695233175 /nfs/dbraw/zinc/23/31/75/695233175.db2.gz OVGHRSTYQVIIIU-WMZOPIPTSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419144 695244426 /nfs/dbraw/zinc/24/44/26/695244426.db2.gz BDKBAVAZCYGFHH-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419144 695244427 /nfs/dbraw/zinc/24/44/27/695244427.db2.gz BDKBAVAZCYGFHH-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419144 695244430 /nfs/dbraw/zinc/24/44/30/695244430.db2.gz BDKBAVAZCYGFHH-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419144 695244432 /nfs/dbraw/zinc/24/44/32/695244432.db2.gz BDKBAVAZCYGFHH-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978739634 696450137 /nfs/dbraw/zinc/45/01/37/696450137.db2.gz DDFYDXVWBMVFSQ-RYPNDVFKSA-N 2 2 300.406 1.004 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978739634 696450139 /nfs/dbraw/zinc/45/01/39/696450139.db2.gz DDFYDXVWBMVFSQ-RYPNDVFKSA-N 2 2 300.406 1.004 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981857545 696944556 /nfs/dbraw/zinc/94/45/56/696944556.db2.gz ZLENKMQQGODJSA-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000981857545 696944559 /nfs/dbraw/zinc/94/45/59/696944559.db2.gz ZLENKMQQGODJSA-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477303 697106524 /nfs/dbraw/zinc/10/65/24/697106524.db2.gz UCGMOHWHWGDFBG-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477303 697106526 /nfs/dbraw/zinc/10/65/26/697106526.db2.gz UCGMOHWHWGDFBG-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418147 697125507 /nfs/dbraw/zinc/12/55/07/697125507.db2.gz MTNOKVOLFBVSGX-HDICACEKSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418147 697125508 /nfs/dbraw/zinc/12/55/08/697125508.db2.gz MTNOKVOLFBVSGX-HDICACEKSA-N 2 2 314.433 1.467 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982678024 697168054 /nfs/dbraw/zinc/16/80/54/697168054.db2.gz BOPKIIFCEXVEOL-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982678024 697168056 /nfs/dbraw/zinc/16/80/56/697168056.db2.gz BOPKIIFCEXVEOL-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987567600 698152820 /nfs/dbraw/zinc/15/28/20/698152820.db2.gz ORRSSNQWONFNRK-UKRRQHHQSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987567600 698152821 /nfs/dbraw/zinc/15/28/21/698152821.db2.gz ORRSSNQWONFNRK-UKRRQHHQSA-N 2 2 319.474 1.871 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887058 698609107 /nfs/dbraw/zinc/60/91/07/698609107.db2.gz KTCDQCVYLKOZLJ-MRXNPFEDSA-N 2 2 317.481 1.757 20 30 DDEDLP C[N@H+](CCNC(=[NH2+])N1CCSCC1)Cc1ccc(F)cc1 ZINC000304736724 698623960 /nfs/dbraw/zinc/62/39/60/698623960.db2.gz SKJUTFDXLGDYBL-UHFFFAOYSA-N 2 2 310.442 1.621 20 30 DDEDLP C[N@@H+](CCNC(=[NH2+])N1CCSCC1)Cc1ccc(F)cc1 ZINC000304736724 698623962 /nfs/dbraw/zinc/62/39/62/698623962.db2.gz SKJUTFDXLGDYBL-UHFFFAOYSA-N 2 2 310.442 1.621 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502511 699338120 /nfs/dbraw/zinc/33/81/20/699338120.db2.gz KWUPDPRMJBUTHA-WBVHZDCISA-N 2 2 316.405 1.096 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502511 699338123 /nfs/dbraw/zinc/33/81/23/699338123.db2.gz KWUPDPRMJBUTHA-WBVHZDCISA-N 2 2 316.405 1.096 20 30 DDEDLP C#CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000732035661 699544320 /nfs/dbraw/zinc/54/43/20/699544320.db2.gz KVTZZQAMJMVATL-UHFFFAOYSA-N 2 2 308.385 1.106 20 30 DDEDLP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccccc1N(C)C ZINC000769583594 701249450 /nfs/dbraw/zinc/24/94/50/701249450.db2.gz DPQOSIVVIYJYBT-UHFFFAOYSA-N 2 2 321.494 1.892 20 30 DDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000866668692 706759175 /nfs/dbraw/zinc/75/91/75/706759175.db2.gz IEUMDSUGCRJPBU-MRXNPFEDSA-N 2 2 301.390 1.833 20 30 DDEDLP C#C[C@H](C)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820394715 704271582 /nfs/dbraw/zinc/27/15/82/704271582.db2.gz NUWNBMUBWJRBBX-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP C#C[C@H](C)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820394715 704271585 /nfs/dbraw/zinc/27/15/85/704271585.db2.gz NUWNBMUBWJRBBX-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP CC(C)C#CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000828835329 706240754 /nfs/dbraw/zinc/24/07/54/706240754.db2.gz ZCVSDMRIZYLVTJ-UHFFFAOYSA-N 2 2 305.466 1.712 20 30 DDEDLP C=CC[C@H](C(=O)OC)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321225 706358514 /nfs/dbraw/zinc/35/85/14/706358514.db2.gz DQDSSXTVCKMBDG-QGZVFWFLSA-N 2 2 323.481 1.595 20 30 DDEDLP CC(C)(C#N)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252806 706921193 /nfs/dbraw/zinc/92/11/93/706921193.db2.gz FCWFSTRCQILWGD-UHFFFAOYSA-N 2 2 306.454 1.732 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(-n3cc[nH+]c3)c1)C2 ZINC000884194444 708181953 /nfs/dbraw/zinc/18/19/53/708181953.db2.gz JNPRBKSLYRRVBH-TXKKKEFDSA-N 2 2 321.384 1.950 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227064 708261563 /nfs/dbraw/zinc/26/15/63/708261563.db2.gz ARPZSHBJWDNMEV-DOTOQJQBSA-N 2 2 321.465 1.928 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227064 708261567 /nfs/dbraw/zinc/26/15/67/708261567.db2.gz ARPZSHBJWDNMEV-DOTOQJQBSA-N 2 2 321.465 1.928 20 30 DDEDLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1O ZINC000895163257 711438721 /nfs/dbraw/zinc/43/87/21/711438721.db2.gz SOZUSZHZUACQQH-KRWDZBQOSA-N 2 2 317.433 1.663 20 30 DDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000916581860 713459131 /nfs/dbraw/zinc/45/91/31/713459131.db2.gz ZCICDSVGDHBOGN-UHFFFAOYSA-N 2 2 302.422 1.495 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)CCOCC1 ZINC000931516099 714116895 /nfs/dbraw/zinc/11/68/95/714116895.db2.gz HKKNZITXSXJLRA-ZDUSSCGKSA-N 2 2 316.405 1.093 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373418 717764445 /nfs/dbraw/zinc/76/44/45/717764445.db2.gz HEDAGIAHTIWRNN-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373418 717764449 /nfs/dbraw/zinc/76/44/49/717764449.db2.gz HEDAGIAHTIWRNN-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617942 718854265 /nfs/dbraw/zinc/85/42/65/718854265.db2.gz PSUWVIDFGNBKLY-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617942 718854270 /nfs/dbraw/zinc/85/42/70/718854270.db2.gz PSUWVIDFGNBKLY-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617942 718854272 /nfs/dbraw/zinc/85/42/72/718854272.db2.gz PSUWVIDFGNBKLY-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617942 718854277 /nfs/dbraw/zinc/85/42/77/718854277.db2.gz PSUWVIDFGNBKLY-GASCZTMLSA-N 2 2 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ZINC000948052711 719343895 /nfs/dbraw/zinc/34/38/95/719343895.db2.gz JGNVBLRZSBPVDY-TZMCWYRMSA-N 2 2 310.829 1.913 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926010 719876892 /nfs/dbraw/zinc/87/68/92/719876892.db2.gz RYNJPINXJCWROQ-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968926010 719876895 /nfs/dbraw/zinc/87/68/95/719876895.db2.gz RYNJPINXJCWROQ-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969719243 720263361 /nfs/dbraw/zinc/26/33/61/720263361.db2.gz ZJTNNWHDFQMUMR-LRDDRELGSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969719243 720263363 /nfs/dbraw/zinc/26/33/63/720263363.db2.gz ZJTNNWHDFQMUMR-LRDDRELGSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600390 735335511 /nfs/dbraw/zinc/33/55/11/735335511.db2.gz DGFOYKZHKKHJSQ-RBSFLKMASA-N 2 2 302.422 1.538 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600390 735335517 /nfs/dbraw/zinc/33/55/17/735335517.db2.gz DGFOYKZHKKHJSQ-RBSFLKMASA-N 2 2 302.422 1.538 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428707 732809611 /nfs/dbraw/zinc/80/96/11/732809611.db2.gz IBINOPNQNSMSPA-OFLPRAFFSA-N 2 2 316.449 1.978 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121033952 782310553 /nfs/dbraw/zinc/31/05/53/782310553.db2.gz SEYMBOURUGGLCB-UHFFFAOYSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957462 733378961 /nfs/dbraw/zinc/37/89/61/733378961.db2.gz SPCHGRCQAWRXPA-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114957462 733378964 /nfs/dbraw/zinc/37/89/64/733378964.db2.gz SPCHGRCQAWRXPA-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957462 733378967 /nfs/dbraw/zinc/37/89/67/733378967.db2.gz SPCHGRCQAWRXPA-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114957462 733378969 /nfs/dbraw/zinc/37/89/69/733378969.db2.gz SPCHGRCQAWRXPA-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453588 735245251 /nfs/dbraw/zinc/24/52/51/735245251.db2.gz CEDCEHVRNYIHGV-CQSZACIVSA-N 2 2 318.421 1.201 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453588 735245257 /nfs/dbraw/zinc/24/52/57/735245257.db2.gz CEDCEHVRNYIHGV-CQSZACIVSA-N 2 2 318.421 1.201 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652738 736003493 /nfs/dbraw/zinc/00/34/93/736003493.db2.gz URHAIYMQIASILR-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024652738 736003496 /nfs/dbraw/zinc/00/34/96/736003496.db2.gz URHAIYMQIASILR-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087309638 736034546 /nfs/dbraw/zinc/03/45/46/736034546.db2.gz JXDZPAWKKZYHDP-KBRIMQKVSA-N 2 2 314.433 1.581 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087309638 736034548 /nfs/dbraw/zinc/03/45/48/736034548.db2.gz JXDZPAWKKZYHDP-KBRIMQKVSA-N 2 2 314.433 1.581 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640930 739833416 /nfs/dbraw/zinc/83/34/16/739833416.db2.gz YFURBVKDYQTJAL-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640930 739833419 /nfs/dbraw/zinc/83/34/19/739833419.db2.gz YFURBVKDYQTJAL-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640930 739833425 /nfs/dbraw/zinc/83/34/25/739833425.db2.gz YFURBVKDYQTJAL-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640930 739833432 /nfs/dbraw/zinc/83/34/32/739833432.db2.gz YFURBVKDYQTJAL-LSDHHAIUSA-N 2 2 316.449 1.837 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620063 740680433 /nfs/dbraw/zinc/68/04/33/740680433.db2.gz PMUKUZZSKJJXBX-JKSUJKDBSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620063 740680435 /nfs/dbraw/zinc/68/04/35/740680435.db2.gz PMUKUZZSKJJXBX-JKSUJKDBSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001087731684 740725095 /nfs/dbraw/zinc/72/50/95/740725095.db2.gz BEODVQOGMQZDCO-APIJFGDWSA-N 2 2 300.406 1.126 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001087731684 740725098 /nfs/dbraw/zinc/72/50/98/740725098.db2.gz BEODVQOGMQZDCO-APIJFGDWSA-N 2 2 300.406 1.126 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037967452 751603913 /nfs/dbraw/zinc/60/39/13/751603913.db2.gz PTAFVSNESGOKTJ-KBPBESRZSA-N 2 2 302.422 1.537 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337987 741410658 /nfs/dbraw/zinc/41/06/58/741410658.db2.gz RZMXPXBEAINDKI-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967869 742289620 /nfs/dbraw/zinc/28/96/20/742289620.db2.gz VENSRUCTPBUALM-OWCLPIDISA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967869 742289622 /nfs/dbraw/zinc/28/96/22/742289622.db2.gz VENSRUCTPBUALM-OWCLPIDISA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181286477 743136885 /nfs/dbraw/zinc/13/68/85/743136885.db2.gz HVXBLARQODPPIP-RHSMWYFYSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183297218 743815629 /nfs/dbraw/zinc/81/56/29/743815629.db2.gz DNVKWHCOAKLBKK-RHSMWYFYSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184272262 743997136 /nfs/dbraw/zinc/99/71/36/743997136.db2.gz DWSHETQJGBQRTG-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061348 744314099 /nfs/dbraw/zinc/31/40/99/744314099.db2.gz BLPLGWKDOQJHAA-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000992849061 745246178 /nfs/dbraw/zinc/24/61/78/745246178.db2.gz DATDALDNTJKDKG-SOUVJXGZSA-N 2 2 314.433 1.537 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992924676 745294106 /nfs/dbraw/zinc/29/41/06/745294106.db2.gz NCMLWMVVNYXBBI-QLFBSQMISA-N 2 2 322.840 1.852 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010275 745403885 /nfs/dbraw/zinc/40/38/85/745403885.db2.gz KJGGTOCHQPBUGT-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010275 745403888 /nfs/dbraw/zinc/40/38/88/745403888.db2.gz KJGGTOCHQPBUGT-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010277 745404116 /nfs/dbraw/zinc/40/41/16/745404116.db2.gz KJGGTOCHQPBUGT-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010277 745404118 /nfs/dbraw/zinc/40/41/18/745404118.db2.gz KJGGTOCHQPBUGT-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343290 745616259 /nfs/dbraw/zinc/61/62/59/745616259.db2.gz XSCVYXBTDLFJJC-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498645 745752053 /nfs/dbraw/zinc/75/20/53/745752053.db2.gz IISPFWBYPVCQGD-HZPDHXFCSA-N 2 2 320.437 1.160 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197793804 747265578 /nfs/dbraw/zinc/26/55/78/747265578.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197793804 747265582 /nfs/dbraw/zinc/26/55/82/747265582.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197793804 747265586 /nfs/dbraw/zinc/26/55/86/747265586.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197793804 747265591 /nfs/dbraw/zinc/26/55/91/747265591.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 2 313.445 1.847 20 30 DDEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128499614 748130931 /nfs/dbraw/zinc/13/09/31/748130931.db2.gz PNDNOXRCBIVYSG-HNNXBMFYSA-N 2 2 319.453 1.231 20 30 DDEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CC)[NH+](C)C)c2C1 ZINC001128499614 748130936 /nfs/dbraw/zinc/13/09/36/748130936.db2.gz PNDNOXRCBIVYSG-HNNXBMFYSA-N 2 2 319.453 1.231 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200654788 748317252 /nfs/dbraw/zinc/31/72/52/748317252.db2.gz QOUJXJHYBYZULU-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200654788 748317258 /nfs/dbraw/zinc/31/72/58/748317258.db2.gz QOUJXJHYBYZULU-MRXNPFEDSA-N 2 2 320.437 1.516 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004371140 748374655 /nfs/dbraw/zinc/37/46/55/748374655.db2.gz JKXNZKGIJBDSQZ-HZPDHXFCSA-N 2 2 304.438 1.307 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001004371140 748374663 /nfs/dbraw/zinc/37/46/63/748374663.db2.gz JKXNZKGIJBDSQZ-HZPDHXFCSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004371140 748374668 /nfs/dbraw/zinc/37/46/68/748374668.db2.gz JKXNZKGIJBDSQZ-HZPDHXFCSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004371140 748374675 /nfs/dbraw/zinc/37/46/75/748374675.db2.gz JKXNZKGIJBDSQZ-HZPDHXFCSA-N 2 2 304.438 1.307 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524863 748541019 /nfs/dbraw/zinc/54/10/19/748541019.db2.gz MIPHCYFJRDJCTK-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623491 748589670 /nfs/dbraw/zinc/58/96/70/748589670.db2.gz HXALMJABGPRRAL-MRXNPFEDSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623491 748589674 /nfs/dbraw/zinc/58/96/74/748589674.db2.gz HXALMJABGPRRAL-MRXNPFEDSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004625110 748591275 /nfs/dbraw/zinc/59/12/75/748591275.db2.gz OECPAXGUKNYXDB-MRXNPFEDSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004625110 748591280 /nfs/dbraw/zinc/59/12/80/748591280.db2.gz OECPAXGUKNYXDB-MRXNPFEDSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201745527 748591958 /nfs/dbraw/zinc/59/19/58/748591958.db2.gz ZHVXFLARZWJSKG-UHFFFAOYSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627528 748596919 /nfs/dbraw/zinc/59/69/19/748596919.db2.gz ZYFBXNMDAFQETK-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627528 748596924 /nfs/dbraw/zinc/59/69/24/748596924.db2.gz ZYFBXNMDAFQETK-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001201801996 748606311 /nfs/dbraw/zinc/60/63/11/748606311.db2.gz XOTNZOCTUQJDDX-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201801996 748606315 /nfs/dbraw/zinc/60/63/15/748606315.db2.gz XOTNZOCTUQJDDX-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206478 748919359 /nfs/dbraw/zinc/91/93/59/748919359.db2.gz JTARYQIWTHMZJQ-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206478 748919363 /nfs/dbraw/zinc/91/93/63/748919363.db2.gz JTARYQIWTHMZJQ-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033204331 748923681 /nfs/dbraw/zinc/92/36/81/748923681.db2.gz WOAVPQMAAXWZML-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033204331 748923686 /nfs/dbraw/zinc/92/36/86/748923686.db2.gz WOAVPQMAAXWZML-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210264 748929872 /nfs/dbraw/zinc/92/98/72/748929872.db2.gz FNZVFCYBHOVUCB-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210264 748929876 /nfs/dbraw/zinc/92/98/76/748929876.db2.gz FNZVFCYBHOVUCB-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254741 749065737 /nfs/dbraw/zinc/06/57/37/749065737.db2.gz GDUCOWDBPMPJSS-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254741 749065739 /nfs/dbraw/zinc/06/57/39/749065739.db2.gz GDUCOWDBPMPJSS-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033372542 749275339 /nfs/dbraw/zinc/27/53/39/749275339.db2.gz GKBRKGAPPKOKPG-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033372542 749275342 /nfs/dbraw/zinc/27/53/42/749275342.db2.gz GKBRKGAPPKOKPG-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995979250 749313157 /nfs/dbraw/zinc/31/31/57/749313157.db2.gz KOXPTCWLYBSBAG-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996097910 749365983 /nfs/dbraw/zinc/36/59/83/749365983.db2.gz HFRLFYDVJQNYKX-JKSUJKDBSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996097910 749365988 /nfs/dbraw/zinc/36/59/88/749365988.db2.gz HFRLFYDVJQNYKX-JKSUJKDBSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386782 761986212 /nfs/dbraw/zinc/98/62/12/761986212.db2.gz DLTNOPKTWARTPS-PMPSAXMXSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386782 761986216 /nfs/dbraw/zinc/98/62/16/761986216.db2.gz DLTNOPKTWARTPS-PMPSAXMXSA-N 2 2 312.417 1.459 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032313666 749870694 /nfs/dbraw/zinc/87/06/94/749870694.db2.gz NOKSTLWFVINEBI-OKZBNKHCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032313666 749870699 /nfs/dbraw/zinc/87/06/99/749870699.db2.gz NOKSTLWFVINEBI-OKZBNKHCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032313666 749870704 /nfs/dbraw/zinc/87/07/04/749870704.db2.gz NOKSTLWFVINEBI-OKZBNKHCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032313666 749870710 /nfs/dbraw/zinc/87/07/10/749870710.db2.gz NOKSTLWFVINEBI-OKZBNKHCSA-N 2 2 324.428 1.438 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039395659 761994779 /nfs/dbraw/zinc/99/47/79/761994779.db2.gz DNRTWYZOQDULJB-XHSDSOJGSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001039395659 761994781 /nfs/dbraw/zinc/99/47/81/761994781.db2.gz DNRTWYZOQDULJB-XHSDSOJGSA-N 2 2 314.433 1.697 20 30 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1.243 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042315233 763907042 /nfs/dbraw/zinc/90/70/42/763907042.db2.gz ZYCNUMRCJPXNPA-UONOGXRCSA-N 2 2 300.406 1.243 20 30 DDEDLP C=CCC[NH+]1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001042756339 764418954 /nfs/dbraw/zinc/41/89/54/764418954.db2.gz OHAFPYBPLJYTFU-UHFFFAOYSA-N 2 2 302.422 1.481 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001043312743 764827773 /nfs/dbraw/zinc/82/77/73/764827773.db2.gz SVZWMTJAQUGQKA-UHFFFAOYSA-N 2 2 309.373 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045484008 766342219 /nfs/dbraw/zinc/34/22/19/766342219.db2.gz VTLLXZLPRCFCSI-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432439 767555861 /nfs/dbraw/zinc/55/58/61/767555861.db2.gz LZHHCXSHFUWGAD-INIZCTEOSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432439 767555867 /nfs/dbraw/zinc/55/58/67/767555867.db2.gz LZHHCXSHFUWGAD-INIZCTEOSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132194910 768665622 /nfs/dbraw/zinc/66/56/22/768665622.db2.gz GTWDBWBQVKRBDM-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132194910 768665625 /nfs/dbraw/zinc/66/56/25/768665625.db2.gz GTWDBWBQVKRBDM-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071107990 768953133 /nfs/dbraw/zinc/95/31/33/768953133.db2.gz WYXLHTCVGXVWKP-WBVHZDCISA-N 2 2 318.421 1.055 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133353375 769734622 /nfs/dbraw/zinc/73/46/22/769734622.db2.gz AEZJDYCOGUJVRO-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048894341 770068809 /nfs/dbraw/zinc/06/88/09/770068809.db2.gz BWMGULRFOUMGBJ-GASCZTMLSA-N 2 2 308.385 1.590 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048894341 770068821 /nfs/dbraw/zinc/06/88/21/770068821.db2.gz BWMGULRFOUMGBJ-GASCZTMLSA-N 2 2 308.385 1.590 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049087805 770349385 /nfs/dbraw/zinc/34/93/85/770349385.db2.gz AHBVDEFFVSDVQP-HRCADAONSA-N 2 2 300.406 1.248 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049087805 770349397 /nfs/dbraw/zinc/34/93/97/770349397.db2.gz AHBVDEFFVSDVQP-HRCADAONSA-N 2 2 300.406 1.248 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134616774 771080734 /nfs/dbraw/zinc/08/07/34/771080734.db2.gz FSSIRCJCVQMVQA-UHFFFAOYSA-N 2 2 309.454 1.303 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049738287 771123450 /nfs/dbraw/zinc/12/34/50/771123450.db2.gz SXBNJRQKDWCJQH-LVQVYYBASA-N 2 2 312.417 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049738287 771123451 /nfs/dbraw/zinc/12/34/51/771123451.db2.gz SXBNJRQKDWCJQH-LVQVYYBASA-N 2 2 312.417 1.222 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737240 771537105 /nfs/dbraw/zinc/53/71/05/771537105.db2.gz CDILSCDKXDUSDN-SOUVJXGZSA-N 2 2 302.422 1.506 20 30 DDEDLP N#CC1(Nc2cnc(C[NH3+])nc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276429 772853873 /nfs/dbraw/zinc/85/38/73/772853873.db2.gz BGBVVRCFPGSZEO-UHFFFAOYSA-N 2 2 322.416 1.906 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001074345778 773841898 /nfs/dbraw/zinc/84/18/98/773841898.db2.gz GYEMKLMSSYXHPD-HOTGVXAUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001074345778 773841901 /nfs/dbraw/zinc/84/19/01/773841901.db2.gz GYEMKLMSSYXHPD-HOTGVXAUSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086252 773940493 /nfs/dbraw/zinc/94/04/93/773940493.db2.gz CFQCWCKLUZMMBT-DAYGRLMNSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086252 773940498 /nfs/dbraw/zinc/94/04/98/773940498.db2.gz CFQCWCKLUZMMBT-DAYGRLMNSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086252 773940505 /nfs/dbraw/zinc/94/05/05/773940505.db2.gz CFQCWCKLUZMMBT-DAYGRLMNSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086252 773940512 /nfs/dbraw/zinc/94/05/12/773940512.db2.gz CFQCWCKLUZMMBT-DAYGRLMNSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748902 774248687 /nfs/dbraw/zinc/24/86/87/774248687.db2.gz OJWRRXCSRSGCMV-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748902 774248691 /nfs/dbraw/zinc/24/86/91/774248691.db2.gz OJWRRXCSRSGCMV-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748902 774248693 /nfs/dbraw/zinc/24/86/93/774248693.db2.gz OJWRRXCSRSGCMV-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748902 774248696 /nfs/dbraw/zinc/24/86/96/774248696.db2.gz OJWRRXCSRSGCMV-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869894 775006490 /nfs/dbraw/zinc/00/64/90/775006490.db2.gz LTVWGLLZBMLMOL-ZIAGYGMSSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869894 775006501 /nfs/dbraw/zinc/00/65/01/775006501.db2.gz LTVWGLLZBMLMOL-ZIAGYGMSSA-N 2 2 302.422 1.796 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036881894 775947209 /nfs/dbraw/zinc/94/72/09/775947209.db2.gz CEEMQFCCYWASKM-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036881894 775947219 /nfs/dbraw/zinc/94/72/19/775947219.db2.gz CEEMQFCCYWASKM-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337724 776546981 /nfs/dbraw/zinc/54/69/81/776546981.db2.gz QZZHQWZSWTYEMG-UHFFFAOYSA-N 2 2 320.437 1.471 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488222 777170911 /nfs/dbraw/zinc/17/09/11/777170911.db2.gz RXPIHAKRCRKCIB-AEFFLSMTSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488222 777170919 /nfs/dbraw/zinc/17/09/19/777170919.db2.gz RXPIHAKRCRKCIB-AEFFLSMTSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085072 777863472 /nfs/dbraw/zinc/86/34/72/777863472.db2.gz YKDNNECRRWSKPP-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085072 777863480 /nfs/dbraw/zinc/86/34/80/777863480.db2.gz YKDNNECRRWSKPP-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150552850 778067774 /nfs/dbraw/zinc/06/77/74/778067774.db2.gz HFQBVLQAVWBGRR-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150552850 778067783 /nfs/dbraw/zinc/06/77/83/778067783.db2.gz HFQBVLQAVWBGRR-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150552850 778067790 /nfs/dbraw/zinc/06/77/90/778067790.db2.gz HFQBVLQAVWBGRR-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150552850 778067797 /nfs/dbraw/zinc/06/77/97/778067797.db2.gz HFQBVLQAVWBGRR-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176685724 778211378 /nfs/dbraw/zinc/21/13/78/778211378.db2.gz HZKHLCMXCGZBHL-NVXWUHKLSA-N 2 2 323.481 1.548 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853492 779200886 /nfs/dbraw/zinc/20/08/86/779200886.db2.gz TZJLUUWMEIXYGK-ZFWWWQNUSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853492 779200893 /nfs/dbraw/zinc/20/08/93/779200893.db2.gz TZJLUUWMEIXYGK-ZFWWWQNUSA-N 2 2 306.410 1.124 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178872239 779207505 /nfs/dbraw/zinc/20/75/05/779207505.db2.gz POBVIIVYNCLKDR-OAHLLOKOSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957435 779241018 /nfs/dbraw/zinc/24/10/18/779241018.db2.gz YCDQCJWPDVOXDM-JYJNAYRXSA-N 2 2 302.422 1.683 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962825 779581251 /nfs/dbraw/zinc/58/12/51/779581251.db2.gz RWTINJXJVXTSGW-YOEHRIQHSA-N 2 2 302.422 1.509 20 30 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1.939 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001318894225 872329207 /nfs/dbraw/zinc/32/92/07/872329207.db2.gz DLTGMZBLBWLPFK-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299064 873975602 /nfs/dbraw/zinc/97/56/02/873975602.db2.gz IQJVYCIRFZLNAD-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299064 873975616 /nfs/dbraw/zinc/97/56/16/873975616.db2.gz IQJVYCIRFZLNAD-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450759 874153315 /nfs/dbraw/zinc/15/33/15/874153315.db2.gz KNZCXWYKEPAIQS-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450762 874153728 /nfs/dbraw/zinc/15/37/28/874153728.db2.gz KNZCXWYKEPAIQS-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001378263770 874576093 /nfs/dbraw/zinc/57/60/93/874576093.db2.gz BEUHZIRWRKTBGV-STQMWFEESA-N 2 2 310.829 1.682 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665589 878437849 /nfs/dbraw/zinc/43/78/49/878437849.db2.gz PNMZNPUWWQYONS-KFWWJZLASA-N 2 2 320.437 1.134 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665589 878437856 /nfs/dbraw/zinc/43/78/56/878437856.db2.gz PNMZNPUWWQYONS-KFWWJZLASA-N 2 2 320.437 1.134 20 30 DDEDLP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc2cc(O)ccc2c1 ZINC001220634646 879152379 /nfs/dbraw/zinc/15/23/79/879152379.db2.gz RJGDFJZSEXPKMV-HNNXBMFYSA-N 2 2 323.356 1.070 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572760 881011778 /nfs/dbraw/zinc/01/17/78/881011778.db2.gz ROCUYRBRKSPHKS-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572760 881011796 /nfs/dbraw/zinc/01/17/96/881011796.db2.gz ROCUYRBRKSPHKS-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437858 887970907 /nfs/dbraw/zinc/97/09/07/887970907.db2.gz XTTYUACFRFHPTQ-HNNXBMFYSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437858 887970911 /nfs/dbraw/zinc/97/09/11/887970911.db2.gz XTTYUACFRFHPTQ-HNNXBMFYSA-N 2 2 302.422 1.481 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001364360843 888457413 /nfs/dbraw/zinc/45/74/13/888457413.db2.gz VFMKYIAOXYEBNP-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001364360843 888457418 /nfs/dbraw/zinc/45/74/18/888457418.db2.gz VFMKYIAOXYEBNP-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP N#CCCCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277949101 888684060 /nfs/dbraw/zinc/68/40/60/888684060.db2.gz RTXOWPQOBNEEOX-UHFFFAOYSA-N 2 2 301.438 1.975 20 30 DDEDLP N#CCCCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277949101 888684067 /nfs/dbraw/zinc/68/40/67/888684067.db2.gz RTXOWPQOBNEEOX-UHFFFAOYSA-N 2 2 301.438 1.975 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001374567575 913313637 /nfs/dbraw/zinc/31/36/37/913313637.db2.gz GXMGRJSKNFDRSQ-ZFWWWQNUSA-N 2 2 324.856 1.980 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001366116672 892506676 /nfs/dbraw/zinc/50/66/76/892506676.db2.gz XXUDURGLOIHBGR-QAQDUYKDSA-N 2 2 323.400 1.651 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001366116672 892506682 /nfs/dbraw/zinc/50/66/82/892506682.db2.gz XXUDURGLOIHBGR-QAQDUYKDSA-N 2 2 323.400 1.651 20 30 DDEDLP C=CCN1C(=O)CCC12CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2 ZINC001253185976 895693804 /nfs/dbraw/zinc/69/38/04/895693804.db2.gz WBEMGGXOXHMUQO-MRXNPFEDSA-N 2 2 323.481 1.332 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001255161119 896760072 /nfs/dbraw/zinc/76/00/72/896760072.db2.gz UOXRBDHJUZHVSU-OAHLLOKOSA-N 2 2 306.454 1.745 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001390819310 900272134 /nfs/dbraw/zinc/27/21/34/900272134.db2.gz POEVQJILZMVHRL-HNNXBMFYSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001390819310 900272148 /nfs/dbraw/zinc/27/21/48/900272148.db2.gz POEVQJILZMVHRL-HNNXBMFYSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001390819310 900272157 /nfs/dbraw/zinc/27/21/57/900272157.db2.gz POEVQJILZMVHRL-HNNXBMFYSA-N 2 2 319.852 1.999 20 30 DDEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001390819310 900272171 /nfs/dbraw/zinc/27/21/71/900272171.db2.gz POEVQJILZMVHRL-HNNXBMFYSA-N 2 2 319.852 1.999 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805406 900717634 /nfs/dbraw/zinc/71/76/34/900717634.db2.gz PRDNUSBPTGPHJA-MRXNPFEDSA-N 2 2 305.466 1.664 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805406 900717649 /nfs/dbraw/zinc/71/76/49/900717649.db2.gz PRDNUSBPTGPHJA-MRXNPFEDSA-N 2 2 305.466 1.664 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265390240 901955942 /nfs/dbraw/zinc/95/59/42/901955942.db2.gz AHLJXTLOEIYWBM-HNNXBMFYSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265390240 901955955 /nfs/dbraw/zinc/95/59/55/901955955.db2.gz AHLJXTLOEIYWBM-HNNXBMFYSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265390240 901955974 /nfs/dbraw/zinc/95/59/74/901955974.db2.gz AHLJXTLOEIYWBM-HNNXBMFYSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265390240 901955991 /nfs/dbraw/zinc/95/59/91/901955991.db2.gz AHLJXTLOEIYWBM-HNNXBMFYSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001392195077 903497360 /nfs/dbraw/zinc/49/73/60/903497360.db2.gz KVIOOZGMGGMPBY-RISCZKNCSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001280197192 903543802 /nfs/dbraw/zinc/54/38/02/903543802.db2.gz FUXYSWIUFBIVPD-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001280593450 903820129 /nfs/dbraw/zinc/82/01/29/903820129.db2.gz BORWTDOEHYVNGP-HNNXBMFYSA-N 2 2 319.405 1.026 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ocnc1C ZINC001282403882 905751502 /nfs/dbraw/zinc/75/15/02/905751502.db2.gz YEWZLDCAUYYMDQ-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ocnc1C ZINC001282403882 905751511 /nfs/dbraw/zinc/75/15/11/905751511.db2.gz YEWZLDCAUYYMDQ-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ocnc1C ZINC001282403882 905751518 /nfs/dbraw/zinc/75/15/18/905751518.db2.gz YEWZLDCAUYYMDQ-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ocnc1C ZINC001282403882 905751526 /nfs/dbraw/zinc/75/15/26/905751526.db2.gz YEWZLDCAUYYMDQ-HIFRSBDPSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001282643894 905915738 /nfs/dbraw/zinc/91/57/38/905915738.db2.gz UQIRNWFKXILZBY-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001372154513 906593795 /nfs/dbraw/zinc/59/37/95/906593795.db2.gz IOPHXBSUKNBORP-UHFFFAOYSA-N 2 2 306.385 1.197 20 30 DDEDLP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001372154513 906593801 /nfs/dbraw/zinc/59/38/01/906593801.db2.gz IOPHXBSUKNBORP-UHFFFAOYSA-N 2 2 306.385 1.197 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001393391864 906866121 /nfs/dbraw/zinc/86/61/21/906866121.db2.gz CPFWSOIDVWIZCG-GXFFZTMASA-N 2 2 310.829 1.697 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001284072505 908429121 /nfs/dbraw/zinc/42/91/21/908429121.db2.gz RWTZJPSPUFXSRJ-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001284072505 908429128 /nfs/dbraw/zinc/42/91/28/908429128.db2.gz RWTZJPSPUFXSRJ-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001377581760 922397176 /nfs/dbraw/zinc/39/71/76/922397176.db2.gz YJESYVMGEISWLJ-UHFFFAOYSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001377581760 922397188 /nfs/dbraw/zinc/39/71/88/922397188.db2.gz YJESYVMGEISWLJ-UHFFFAOYSA-N 2 2 317.861 1.022 20 30 DDEDLP C=CC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179283135 354262445 /nfs/dbraw/zinc/26/24/45/354262445.db2.gz DLXMFJQMPZBOQW-UHFFFAOYSA-N 2 2 308.470 1.620 20 30 DDEDLP CC(C)c1[nH+]ccn1CCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000531293346 354691241 /nfs/dbraw/zinc/69/12/41/354691241.db2.gz QTOCIOMVWKUWTQ-UHFFFAOYSA-N 2 2 303.410 1.501 20 30 DDEDLP C[N@H+](CCC#N)C[C@H](O)CNC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000581007786 354729636 /nfs/dbraw/zinc/72/96/36/354729636.db2.gz ZAEZSCLYLWXPMD-ZWKOTPCHSA-N 2 2 322.497 1.579 20 30 DDEDLP C[N@@H+](CCC#N)C[C@H](O)CNC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000581007786 354729637 /nfs/dbraw/zinc/72/96/37/354729637.db2.gz ZAEZSCLYLWXPMD-ZWKOTPCHSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581007786 354729638 /nfs/dbraw/zinc/72/96/38/354729638.db2.gz ZAEZSCLYLWXPMD-ZWKOTPCHSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000581007786 354729639 /nfs/dbraw/zinc/72/96/39/354729639.db2.gz ZAEZSCLYLWXPMD-ZWKOTPCHSA-N 2 2 322.497 1.579 20 30 DDEDLP Cc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)ccc1C#N ZINC000593050734 355780278 /nfs/dbraw/zinc/78/02/78/355780278.db2.gz IELUEAJYMDYPSW-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)ccc1C#N ZINC000593050734 355780283 /nfs/dbraw/zinc/78/02/83/355780283.db2.gz IELUEAJYMDYPSW-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(C#N)cc1 ZINC000597989335 357407620 /nfs/dbraw/zinc/40/76/20/357407620.db2.gz DKCQYSMYEXCGBB-UHFFFAOYSA-N 2 2 302.422 1.100 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(C#N)cc1 ZINC000597989335 357407626 /nfs/dbraw/zinc/40/76/26/357407626.db2.gz DKCQYSMYEXCGBB-UHFFFAOYSA-N 2 2 302.422 1.100 20 30 DDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910677 359701292 /nfs/dbraw/zinc/70/12/92/359701292.db2.gz XERXGFFOPYGKRW-YLADIXGZSA-N 2 2 318.465 1.457 20 30 DDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910677 359701298 /nfs/dbraw/zinc/70/12/98/359701298.db2.gz XERXGFFOPYGKRW-YLADIXGZSA-N 2 2 318.465 1.457 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793690 407397451 /nfs/dbraw/zinc/39/74/51/407397451.db2.gz BOJYNONAYWZLBE-UHFFFAOYSA-N 2 2 314.393 1.176 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N(C)C[C@@H]1CCOC1 ZINC000261619074 407555409 /nfs/dbraw/zinc/55/54/09/407555409.db2.gz HKGFWLPAOTTXRV-AWEZNQCLSA-N 2 2 315.421 1.421 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129467983 407612295 /nfs/dbraw/zinc/61/22/95/407612295.db2.gz REIQSIGLDJRDQD-DLBZAZTESA-N 2 2 323.481 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129467983 407612301 /nfs/dbraw/zinc/61/23/01/407612301.db2.gz REIQSIGLDJRDQD-DLBZAZTESA-N 2 2 323.481 1.454 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157010382 408286390 /nfs/dbraw/zinc/28/63/90/408286390.db2.gz STOQBIASXSOMTA-NVXWUHKLSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010382 408286393 /nfs/dbraw/zinc/28/63/93/408286393.db2.gz STOQBIASXSOMTA-NVXWUHKLSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010382 408286399 /nfs/dbraw/zinc/28/63/99/408286399.db2.gz STOQBIASXSOMTA-NVXWUHKLSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010382 408286403 /nfs/dbraw/zinc/28/64/03/408286403.db2.gz STOQBIASXSOMTA-NVXWUHKLSA-N 2 2 314.433 1.611 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000264328528 408447269 /nfs/dbraw/zinc/44/72/69/408447269.db2.gz DBWXDLQTSVZXSI-UHFFFAOYSA-N 2 2 317.437 1.949 20 30 DDEDLP C[NH+]=C(NCc1nccs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160030994 408452314 /nfs/dbraw/zinc/45/23/14/408452314.db2.gz PFTBEOUNADXCJA-QWHCGFSZSA-N 2 2 318.450 1.998 20 30 DDEDLP CC[C@H](O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(N)=O ZINC000159399966 408404542 /nfs/dbraw/zinc/40/45/42/408404542.db2.gz AVMWCYMFVKRMJM-HNNXBMFYSA-N 2 2 318.421 1.573 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878999 408946833 /nfs/dbraw/zinc/94/68/33/408946833.db2.gz AGYJEYJJJQHSMM-CQSZACIVSA-N 2 2 302.422 1.701 20 30 DDEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878999 408946834 /nfs/dbraw/zinc/94/68/34/408946834.db2.gz AGYJEYJJJQHSMM-CQSZACIVSA-N 2 2 302.422 1.701 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328606846 409933513 /nfs/dbraw/zinc/93/35/13/409933513.db2.gz KSDNXVMQMTZKNL-IPYPFGDCSA-N 2 2 317.437 1.747 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328606846 409933517 /nfs/dbraw/zinc/93/35/17/409933517.db2.gz KSDNXVMQMTZKNL-IPYPFGDCSA-N 2 2 317.437 1.747 20 30 DDEDLP C[NH+]1CCC(CNC(=O)CCCC#N)([NH+]2CCCCC2)CC1 ZINC000360311482 411125774 /nfs/dbraw/zinc/12/57/74/411125774.db2.gz PTAXLMROCMWPFW-UHFFFAOYSA-N 2 2 306.454 1.747 20 30 DDEDLP C#CCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505755 418433595 /nfs/dbraw/zinc/43/35/95/418433595.db2.gz VLJMTJMDFYOYNA-KRWDZBQOSA-N 2 2 320.481 1.600 20 30 DDEDLP C#CCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505755 418433598 /nfs/dbraw/zinc/43/35/98/418433598.db2.gz VLJMTJMDFYOYNA-KRWDZBQOSA-N 2 2 320.481 1.600 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCS[C@H](C(C)C)C1 ZINC000261767222 222256438 /nfs/dbraw/zinc/25/64/38/222256438.db2.gz NOWDIRHOYXEDBQ-AWEZNQCLSA-N 2 2 309.483 1.922 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264149518 222326740 /nfs/dbraw/zinc/32/67/40/222326740.db2.gz YUUYHNKBYQMZJW-INIZCTEOSA-N 2 2 304.438 1.544 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264149518 222326741 /nfs/dbraw/zinc/32/67/41/222326741.db2.gz YUUYHNKBYQMZJW-INIZCTEOSA-N 2 2 304.438 1.544 20 30 DDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1CCCCC1 ZINC000263207265 222306072 /nfs/dbraw/zinc/30/60/72/222306072.db2.gz YLEQCCVHMZIJNL-UHFFFAOYSA-N 2 2 324.469 1.105 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000264076884 222314157 /nfs/dbraw/zinc/31/41/57/222314157.db2.gz SYXORSDCDVOKQV-ZIAGYGMSSA-N 2 2 322.453 1.832 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830660 418747946 /nfs/dbraw/zinc/74/79/46/418747946.db2.gz OMUBUBAJDZZYCM-WBVHZDCISA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830660 418747948 /nfs/dbraw/zinc/74/79/48/418747948.db2.gz OMUBUBAJDZZYCM-WBVHZDCISA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830659 418747978 /nfs/dbraw/zinc/74/79/78/418747978.db2.gz OMUBUBAJDZZYCM-RDJZCZTQSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830659 418747980 /nfs/dbraw/zinc/74/79/80/418747980.db2.gz OMUBUBAJDZZYCM-RDJZCZTQSA-N 2 2 323.481 1.595 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000365651705 418888196 /nfs/dbraw/zinc/88/81/96/418888196.db2.gz XJEPHFGKUVCIIC-NVXWUHKLSA-N 2 2 314.389 1.343 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000365651705 418888197 /nfs/dbraw/zinc/88/81/97/418888197.db2.gz XJEPHFGKUVCIIC-NVXWUHKLSA-N 2 2 314.389 1.343 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000426446264 419472661 /nfs/dbraw/zinc/47/26/61/419472661.db2.gz VMELOPUZQSEHIE-IAGOWNOFSA-N 2 2 323.481 1.452 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426446264 419472665 /nfs/dbraw/zinc/47/26/65/419472665.db2.gz VMELOPUZQSEHIE-IAGOWNOFSA-N 2 2 323.481 1.452 20 30 DDEDLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418523000 419855126 /nfs/dbraw/zinc/85/51/26/419855126.db2.gz JYKPNOFAOXEJDW-AWEZNQCLSA-N 2 2 315.421 1.123 20 30 DDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553091108 421602180 /nfs/dbraw/zinc/60/21/80/421602180.db2.gz KDQADQRQXOVDCG-UKRRQHHQSA-N 2 2 314.437 1.403 20 30 DDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000553091108 421602182 /nfs/dbraw/zinc/60/21/82/421602182.db2.gz KDQADQRQXOVDCG-UKRRQHHQSA-N 2 2 314.437 1.403 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOCc1ccc(C#N)cc1 ZINC000572539933 421797773 /nfs/dbraw/zinc/79/77/73/421797773.db2.gz PZEGJOYVNQJQFS-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOCc1ccc(C#N)cc1 ZINC000572539933 421797778 /nfs/dbraw/zinc/79/77/78/421797778.db2.gz PZEGJOYVNQJQFS-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000572539933 421797779 /nfs/dbraw/zinc/79/77/79/421797779.db2.gz PZEGJOYVNQJQFS-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000572539933 421797783 /nfs/dbraw/zinc/79/77/83/421797783.db2.gz PZEGJOYVNQJQFS-QGZVFWFLSA-N 2 2 305.422 1.319 20 30 DDEDLP CN(CCC#N)C[C@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000573712748 422003701 /nfs/dbraw/zinc/00/37/01/422003701.db2.gz JKRCNBOBPOQZGB-CQSZACIVSA-N 2 2 315.421 1.291 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nn1 ZINC000657398892 424327003 /nfs/dbraw/zinc/32/70/03/424327003.db2.gz FBPWMDHHLLQFND-IRXDYDNUSA-N 2 2 319.453 1.322 20 30 DDEDLP CC[N@@H+](CC(=O)NCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108901 276083020 /nfs/dbraw/zinc/08/30/20/276083020.db2.gz ZLKVCCVRUKNWLE-UHFFFAOYSA-N 2 2 315.421 1.260 20 30 DDEDLP CC[N@H+](CC(=O)NCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108901 276083021 /nfs/dbraw/zinc/08/30/21/276083021.db2.gz ZLKVCCVRUKNWLE-UHFFFAOYSA-N 2 2 315.421 1.260 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330188342 289394786 /nfs/dbraw/zinc/39/47/86/289394786.db2.gz LBBFBGFIXZKIQD-RBSFLKMASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000330188342 289394788 /nfs/dbraw/zinc/39/47/88/289394788.db2.gz LBBFBGFIXZKIQD-RBSFLKMASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330188342 289394793 /nfs/dbraw/zinc/39/47/93/289394793.db2.gz LBBFBGFIXZKIQD-RBSFLKMASA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000330188342 289394796 /nfs/dbraw/zinc/39/47/96/289394796.db2.gz LBBFBGFIXZKIQD-RBSFLKMASA-N 2 2 319.453 1.822 20 30 DDEDLP N#Cc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000569725589 308148892 /nfs/dbraw/zinc/14/88/92/308148892.db2.gz CCXWHZZLKLCRTR-UHFFFAOYSA-N 2 2 322.416 1.633 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000533867475 332226075 /nfs/dbraw/zinc/22/60/75/332226075.db2.gz NJQARGHYKFKLCJ-LRDDRELGSA-N 2 2 301.394 1.018 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000533867475 332226077 /nfs/dbraw/zinc/22/60/77/332226077.db2.gz NJQARGHYKFKLCJ-LRDDRELGSA-N 2 2 301.394 1.018 20 30 DDEDLP COCC#CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711562 486498746 /nfs/dbraw/zinc/49/87/46/486498746.db2.gz NXPLTJQGAMECJX-GOSISDBHSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711562 486498749 /nfs/dbraw/zinc/49/87/49/486498749.db2.gz NXPLTJQGAMECJX-GOSISDBHSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711562 486498751 /nfs/dbraw/zinc/49/87/51/486498751.db2.gz NXPLTJQGAMECJX-GOSISDBHSA-N 2 2 302.418 1.205 20 30 DDEDLP COCC#CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711562 486498754 /nfs/dbraw/zinc/49/87/54/486498754.db2.gz NXPLTJQGAMECJX-GOSISDBHSA-N 2 2 302.418 1.205 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339751209 526358026 /nfs/dbraw/zinc/35/80/26/526358026.db2.gz IVSWKSCKAVAWNN-UHFFFAOYSA-N 2 2 315.417 1.412 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339751209 526358031 /nfs/dbraw/zinc/35/80/31/526358031.db2.gz IVSWKSCKAVAWNN-UHFFFAOYSA-N 2 2 315.417 1.412 20 30 DDEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2 ZINC000424142223 526814024 /nfs/dbraw/zinc/81/40/24/526814024.db2.gz DQMGBSZXLLGPKS-QWHCGFSZSA-N 2 2 317.437 1.633 20 30 DDEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000491274738 527290357 /nfs/dbraw/zinc/29/03/57/527290357.db2.gz ALHJHBOBKNBONY-QGZVFWFLSA-N 2 2 307.482 1.421 20 30 DDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)C ZINC000491274738 527290364 /nfs/dbraw/zinc/29/03/64/527290364.db2.gz ALHJHBOBKNBONY-QGZVFWFLSA-N 2 2 307.482 1.421 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980210353 696708853 /nfs/dbraw/zinc/70/88/53/696708853.db2.gz XTLOWMMKZSJZFR-ARFHVFGLSA-N 2 2 314.433 1.203 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980210353 696708856 /nfs/dbraw/zinc/70/88/56/696708856.db2.gz XTLOWMMKZSJZFR-ARFHVFGLSA-N 2 2 314.433 1.203 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974685999 695711859 /nfs/dbraw/zinc/71/18/59/695711859.db2.gz FLXQYDLENHTKPC-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974685999 695711861 /nfs/dbraw/zinc/71/18/61/695711861.db2.gz FLXQYDLENHTKPC-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974685999 695711862 /nfs/dbraw/zinc/71/18/62/695711862.db2.gz FLXQYDLENHTKPC-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974685999 695711863 /nfs/dbraw/zinc/71/18/63/695711863.db2.gz FLXQYDLENHTKPC-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978400982 696376762 /nfs/dbraw/zinc/37/67/62/696376762.db2.gz BPNUJCOLALXEFD-FPCVCCKLSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978400982 696376765 /nfs/dbraw/zinc/37/67/65/696376765.db2.gz BPNUJCOLALXEFD-FPCVCCKLSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981165820 697024211 /nfs/dbraw/zinc/02/42/11/697024211.db2.gz GSSRGZDLWPBCHK-GJZGRUSLSA-N 2 2 303.406 1.836 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982136080 697039261 /nfs/dbraw/zinc/03/92/61/697039261.db2.gz ZZMMRTFOPHVQIQ-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982136080 697039263 /nfs/dbraw/zinc/03/92/63/697039263.db2.gz ZZMMRTFOPHVQIQ-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981454369 697101624 /nfs/dbraw/zinc/10/16/24/697101624.db2.gz BPNUMJUWLHOSQG-OLZOCXBDSA-N 2 2 310.829 1.732 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982398066 697122466 /nfs/dbraw/zinc/12/24/66/697122466.db2.gz ZSSJMNNHPFEFMR-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982398066 697122467 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DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766377 747785144 /nfs/dbraw/zinc/78/51/44/747785144.db2.gz HHDYSAGLUBGWAU-GJZGRUSLSA-N 2 2 311.857 1.804 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089846933 748054314 /nfs/dbraw/zinc/05/43/14/748054314.db2.gz NTDNAXBEALFCDW-NXOAAHMSSA-N 2 2 312.417 1.075 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089846933 748054319 /nfs/dbraw/zinc/05/43/19/748054319.db2.gz NTDNAXBEALFCDW-NXOAAHMSSA-N 2 2 312.417 1.075 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004473180 748463211 /nfs/dbraw/zinc/46/32/11/748463211.db2.gz LGRAZASLXDUIOQ-DLBZAZTESA-N 2 2 318.465 1.697 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004473180 748463214 /nfs/dbraw/zinc/46/32/14/748463214.db2.gz LGRAZASLXDUIOQ-DLBZAZTESA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004473180 748463217 /nfs/dbraw/zinc/46/32/17/748463217.db2.gz LGRAZASLXDUIOQ-DLBZAZTESA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004473180 748463219 /nfs/dbraw/zinc/46/32/19/748463219.db2.gz LGRAZASLXDUIOQ-DLBZAZTESA-N 2 2 318.465 1.697 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123868 748465539 /nfs/dbraw/zinc/46/55/39/748465539.db2.gz SXMUHODNJXZNAW-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123868 748465542 /nfs/dbraw/zinc/46/55/42/748465542.db2.gz SXMUHODNJXZNAW-OAHLLOKOSA-N 2 2 319.474 1.979 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484005 748534980 /nfs/dbraw/zinc/53/49/80/748534980.db2.gz PUDKYOWLBRYQMV-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004585741 748569041 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30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090355146 755056471 /nfs/dbraw/zinc/05/64/71/755056471.db2.gz NWHHQBCQKZMDPB-HUUCEWRRSA-N 2 2 320.437 1.054 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081203333 756248764 /nfs/dbraw/zinc/24/87/64/756248764.db2.gz FDUYJTWWFLNOMX-JKSUJKDBSA-N 2 2 310.401 1.722 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082664066 756878130 /nfs/dbraw/zinc/87/81/30/756878130.db2.gz UGXHMRAIOZRFOY-DJIMGWMZSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082664066 756878133 /nfs/dbraw/zinc/87/81/33/756878133.db2.gz UGXHMRAIOZRFOY-DJIMGWMZSA-N 2 2 321.465 1.110 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001016667731 757251487 /nfs/dbraw/zinc/25/14/87/757251487.db2.gz PXFYTVPSDBDBRU-IIAWOOMASA-N 2 2 312.417 1.507 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001016667731 757251494 /nfs/dbraw/zinc/25/14/94/757251494.db2.gz PXFYTVPSDBDBRU-IIAWOOMASA-N 2 2 312.417 1.507 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465909 757581837 /nfs/dbraw/zinc/58/18/37/757581837.db2.gz XYGMYIGOEIWUSX-BFYDXBDKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465909 757581847 /nfs/dbraw/zinc/58/18/47/757581847.db2.gz XYGMYIGOEIWUSX-BFYDXBDKSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018301467 758712054 /nfs/dbraw/zinc/71/20/54/758712054.db2.gz LCCHKLUZQLGVEC-LUKYLMHMSA-N 2 2 303.450 1.558 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018301467 758712057 /nfs/dbraw/zinc/71/20/57/758712057.db2.gz LCCHKLUZQLGVEC-LUKYLMHMSA-N 2 2 303.450 1.558 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822092 758851481 /nfs/dbraw/zinc/85/14/81/758851481.db2.gz GAXCKQFWVPPCQC-CVEARBPZSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001019809423 760262194 /nfs/dbraw/zinc/26/21/94/760262194.db2.gz BKMXEUKBLLJJGD-AWEZNQCLSA-N 2 2 305.447 1.483 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001019809423 760262198 /nfs/dbraw/zinc/26/21/98/760262198.db2.gz BKMXEUKBLLJJGD-AWEZNQCLSA-N 2 2 305.447 1.483 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085818910 760295363 /nfs/dbraw/zinc/29/53/63/760295363.db2.gz LYJMRHXSDNTFBK-AWEZNQCLSA-N 2 2 318.421 1.603 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085818910 760295368 /nfs/dbraw/zinc/29/53/68/760295368.db2.gz LYJMRHXSDNTFBK-AWEZNQCLSA-N 2 2 318.421 1.603 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855762 760393094 /nfs/dbraw/zinc/39/30/94/760393094.db2.gz INUIQZUDYVKMMM-DLBZAZTESA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855762 760393103 /nfs/dbraw/zinc/39/31/03/760393103.db2.gz INUIQZUDYVKMMM-DLBZAZTESA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855762 760393121 /nfs/dbraw/zinc/39/31/21/760393121.db2.gz INUIQZUDYVKMMM-DLBZAZTESA-N 2 2 305.466 1.805 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086201344 761161877 /nfs/dbraw/zinc/16/18/77/761161877.db2.gz VOPIGNYDXIAPLB-LXTVHRRPSA-N 2 2 302.422 1.584 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001039042331 761683320 /nfs/dbraw/zinc/68/33/20/761683320.db2.gz PZFRQVXWVVULRQ-FTWHOSCRSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001039042331 761683323 /nfs/dbraw/zinc/68/33/23/761683323.db2.gz PZFRQVXWVVULRQ-FTWHOSCRSA-N 2 2 309.841 1.275 20 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/nfs/dbraw/zinc/96/35/22/762963522.db2.gz OTMBKIWGGMEARO-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041418759 763016259 /nfs/dbraw/zinc/01/62/59/763016259.db2.gz NVQLUAAWQLIUER-MAUKXSAKSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041418759 763016264 /nfs/dbraw/zinc/01/62/64/763016264.db2.gz NVQLUAAWQLIUER-MAUKXSAKSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503578 763084757 /nfs/dbraw/zinc/08/47/57/763084757.db2.gz PWUURGPUHTYMOE-QGZVFWFLSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503578 763084759 /nfs/dbraw/zinc/08/47/59/763084759.db2.gz PWUURGPUHTYMOE-QGZVFWFLSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC001050569100 763763174 /nfs/dbraw/zinc/76/31/74/763763174.db2.gz CVPAESYJBYAOAS-HNNXBMFYSA-N 2 2 314.433 1.556 20 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767563710 /nfs/dbraw/zinc/56/37/10/767563710.db2.gz ZIHDJAYZOOFMME-RHSMWYFYSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435222 767563717 /nfs/dbraw/zinc/56/37/17/767563717.db2.gz ZIHDJAYZOOFMME-RHSMWYFYSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091430 768616931 /nfs/dbraw/zinc/61/69/31/768616931.db2.gz XTRCUUQHXBOKAI-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091430 768616933 /nfs/dbraw/zinc/61/69/33/768616933.db2.gz XTRCUUQHXBOKAI-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091430 768616935 /nfs/dbraw/zinc/61/69/35/768616935.db2.gz XTRCUUQHXBOKAI-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091430 768616937 /nfs/dbraw/zinc/61/69/37/768616937.db2.gz XTRCUUQHXBOKAI-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245586 769186519 /nfs/dbraw/zinc/18/65/19/769186519.db2.gz GHDQQZKBIGQSCH-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245586 769186521 /nfs/dbraw/zinc/18/65/21/769186521.db2.gz GHDQQZKBIGQSCH-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132922933 769324559 /nfs/dbraw/zinc/32/45/59/769324559.db2.gz CFKHTMNISDEDPA-GOEBONIOSA-N 2 2 317.433 1.893 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693390 769891274 /nfs/dbraw/zinc/89/12/74/769891274.db2.gz QGXAKFFJQYOQIF-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693390 769891287 /nfs/dbraw/zinc/89/12/87/769891287.db2.gz QGXAKFFJQYOQIF-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048885225 770046855 /nfs/dbraw/zinc/04/68/55/770046855.db2.gz OBLVHGNIWZBRFH-GASCZTMLSA-N 2 2 301.390 1.209 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048885225 770046867 /nfs/dbraw/zinc/04/68/67/770046867.db2.gz OBLVHGNIWZBRFH-GASCZTMLSA-N 2 2 301.390 1.209 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402085 770988029 /nfs/dbraw/zinc/98/80/29/770988029.db2.gz ANXAHZORWWYPAK-LSDHHAIUSA-N 2 2 316.449 1.658 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403682 770989988 /nfs/dbraw/zinc/98/99/88/770989988.db2.gz RMARLMNYNIFOBL-LSDHHAIUSA-N 2 2 316.449 1.658 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403877 770990054 /nfs/dbraw/zinc/99/00/54/770990054.db2.gz UYFBSZPAVYVCFL-UONOGXRCSA-N 2 2 304.438 1.821 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611300 771017118 /nfs/dbraw/zinc/01/71/18/771017118.db2.gz IAPXRAGMCQKRDK-JKSUJKDBSA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611300 771017122 /nfs/dbraw/zinc/01/71/22/771017122.db2.gz IAPXRAGMCQKRDK-JKSUJKDBSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757694 771136807 /nfs/dbraw/zinc/13/68/07/771136807.db2.gz BKZFVVSAMNHTCT-BZUAXINKSA-N 2 2 300.406 1.533 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757694 771136809 /nfs/dbraw/zinc/13/68/09/771136809.db2.gz BKZFVVSAMNHTCT-BZUAXINKSA-N 2 2 300.406 1.533 20 30 DDEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135071921 771307907 /nfs/dbraw/zinc/30/79/07/771307907.db2.gz MMSWBEXSGOJFLU-ZDUSSCGKSA-N 2 2 311.389 1.366 20 30 DDEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135071921 771307911 /nfs/dbraw/zinc/30/79/11/771307911.db2.gz MMSWBEXSGOJFLU-ZDUSSCGKSA-N 2 2 311.389 1.366 20 30 DDEDLP 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UGQZRBRIEUAESQ-OAHLLOKOSA-N 2 2 320.437 1.434 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1O ZINC001275551153 853321643 /nfs/dbraw/zinc/32/16/43/853321643.db2.gz RTFLNRKQRCGYRS-CALCHBBNSA-N 2 2 314.433 1.474 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001275551153 853321652 /nfs/dbraw/zinc/32/16/52/853321652.db2.gz RTFLNRKQRCGYRS-CALCHBBNSA-N 2 2 314.433 1.474 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001275781008 853738275 /nfs/dbraw/zinc/73/82/75/853738275.db2.gz MBDOKTLEMPJTRB-GJZGRUSLSA-N 2 2 302.422 1.251 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049559093 856976201 /nfs/dbraw/zinc/97/62/01/856976201.db2.gz UQQCMDQBYZLQJB-DJIMGWMZSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049559093 856976211 /nfs/dbraw/zinc/97/62/11/856976211.db2.gz UQQCMDQBYZLQJB-DJIMGWMZSA-N 2 2 314.433 1.697 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001224691068 881498138 /nfs/dbraw/zinc/49/81/38/881498138.db2.gz BOWKAPDMXHNNDW-OAHLLOKOSA-N 2 2 302.422 1.686 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919682 860953873 /nfs/dbraw/zinc/95/38/73/860953873.db2.gz VHCFZXNBFJQTRI-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919682 860953885 /nfs/dbraw/zinc/95/38/85/860953885.db2.gz VHCFZXNBFJQTRI-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491944 861147251 /nfs/dbraw/zinc/14/72/51/861147251.db2.gz BFVKHZICHJDADU-OAHLLOKOSA-N 2 2 310.401 1.946 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491944 861147255 /nfs/dbraw/zinc/14/72/55/861147255.db2.gz BFVKHZICHJDADU-OAHLLOKOSA-N 2 2 310.401 1.946 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001330431609 864342488 /nfs/dbraw/zinc/34/24/88/864342488.db2.gz UBIPXUGOLLHXFS-UKRRQHHQSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158171734 864469863 /nfs/dbraw/zinc/46/98/63/864469863.db2.gz GGSCMOQZALGEAB-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158171734 864469870 /nfs/dbraw/zinc/46/98/70/864469870.db2.gz GGSCMOQZALGEAB-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001331492089 865114875 /nfs/dbraw/zinc/11/48/75/865114875.db2.gz YUQSJPCZIGHZOV-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CC)C(C)(C)C ZINC001332806165 866156577 /nfs/dbraw/zinc/15/65/77/866156577.db2.gz KCRXMMGBCBGPPB-HOTGVXAUSA-N 2 2 303.450 1.228 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CC)C(C)(C)C ZINC001332806165 866156584 /nfs/dbraw/zinc/15/65/84/866156584.db2.gz KCRXMMGBCBGPPB-HOTGVXAUSA-N 2 2 303.450 1.228 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332827160 866171940 /nfs/dbraw/zinc/17/19/40/866171940.db2.gz SUMKUSLHMVTORO-ZBFHGGJFSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332999949 866326852 /nfs/dbraw/zinc/32/68/52/866326852.db2.gz VUKNJJVNUWWGIO-AWEZNQCLSA-N 2 2 324.388 1.486 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001332999949 866326870 /nfs/dbraw/zinc/32/68/70/866326870.db2.gz VUKNJJVNUWWGIO-AWEZNQCLSA-N 2 2 324.388 1.486 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322194578 868039607 /nfs/dbraw/zinc/03/96/07/868039607.db2.gz USYGNOLRXJAWFV-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322194578 868039618 /nfs/dbraw/zinc/03/96/18/868039618.db2.gz USYGNOLRXJAWFV-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166407660 869985108 /nfs/dbraw/zinc/98/51/08/869985108.db2.gz AMLDNLWMBAPPIG-CYBMUJFWSA-N 2 2 306.410 1.128 20 30 DDEDLP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001317672286 871377545 /nfs/dbraw/zinc/37/75/45/871377545.db2.gz AUIGTXXRVVBMAL-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001317689108 871415380 /nfs/dbraw/zinc/41/53/80/871415380.db2.gz VTEBCNBMPRZQQV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP CC#CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001317689108 871415386 /nfs/dbraw/zinc/41/53/86/871415386.db2.gz VTEBCNBMPRZQQV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP CC#CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001317689108 871415396 /nfs/dbraw/zinc/41/53/96/871415396.db2.gz VTEBCNBMPRZQQV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP CC#CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001317689108 871415405 /nfs/dbraw/zinc/41/54/05/871415405.db2.gz VTEBCNBMPRZQQV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555908 871627268 /nfs/dbraw/zinc/62/72/68/871627268.db2.gz GYZFNVYKFPMPEF-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205556168 871627388 /nfs/dbraw/zinc/62/73/88/871627388.db2.gz MEHPAMJSHLWUJS-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001316703163 871843078 /nfs/dbraw/zinc/84/30/78/871843078.db2.gz HNPVKSDFKZMAOF-INMHGKMJSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001316703163 871843108 /nfs/dbraw/zinc/84/31/08/871843108.db2.gz HNPVKSDFKZMAOF-INMHGKMJSA-N 2 2 316.449 1.828 20 30 DDEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866178 875150120 /nfs/dbraw/zinc/15/01/20/875150120.db2.gz PKZIRZKDBSTZEB-CVEARBPZSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987968 876530098 /nfs/dbraw/zinc/53/00/98/876530098.db2.gz CFRQXKDFYQHCGA-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511413 876738873 /nfs/dbraw/zinc/73/88/73/876738873.db2.gz LBZLXBNENDEIFK-UMVBOHGHSA-N 2 2 300.406 1.289 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC ZINC001276771466 877403244 /nfs/dbraw/zinc/40/32/44/877403244.db2.gz HLRBUVGBSQLVMG-IAGOWNOFSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636482 879983432 /nfs/dbraw/zinc/98/34/32/879983432.db2.gz QVIILNJJDANKOF-IXDOHACOSA-N 2 2 314.433 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636482 879983435 /nfs/dbraw/zinc/98/34/35/879983435.db2.gz QVIILNJJDANKOF-IXDOHACOSA-N 2 2 314.433 1.636 20 30 DDEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C(=[NH2+])NO)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229083177 883804387 /nfs/dbraw/zinc/80/43/87/883804387.db2.gz OMXRLIQQKCMMEG-UBYSCORNSA-N 2 2 307.325 1.121 20 30 DDEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C(=[NH2+])NO)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229083177 883804404 /nfs/dbraw/zinc/80/44/04/883804404.db2.gz OMXRLIQQKCMMEG-UBYSCORNSA-N 2 2 307.325 1.121 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)CC1 ZINC001362568153 884113418 /nfs/dbraw/zinc/11/34/18/884113418.db2.gz HWWZNEAQZDWEGY-GDBMZVCRSA-N 2 2 304.438 1.165 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)CC1 ZINC001362568153 884113420 /nfs/dbraw/zinc/11/34/20/884113420.db2.gz HWWZNEAQZDWEGY-GDBMZVCRSA-N 2 2 304.438 1.165 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252584756 895291698 /nfs/dbraw/zinc/29/16/98/895291698.db2.gz FFBDVXSCBIENIP-SQNIBIBYSA-N 2 2 304.434 1.803 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252584756 895291710 /nfs/dbraw/zinc/29/17/10/895291710.db2.gz FFBDVXSCBIENIP-SQNIBIBYSA-N 2 2 304.434 1.803 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001368143046 898796554 /nfs/dbraw/zinc/79/65/54/898796554.db2.gz GIDVQIBAZUQNAR-CYBMUJFWSA-N 2 2 310.829 1.969 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264195484 901014598 /nfs/dbraw/zinc/01/45/98/901014598.db2.gz TXEBKPPXHSDIGN-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264195484 901014614 /nfs/dbraw/zinc/01/46/14/901014614.db2.gz TXEBKPPXHSDIGN-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264195484 901014626 /nfs/dbraw/zinc/01/46/26/901014626.db2.gz TXEBKPPXHSDIGN-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264195484 901014636 /nfs/dbraw/zinc/01/46/36/901014636.db2.gz TXEBKPPXHSDIGN-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264745903 901328069 /nfs/dbraw/zinc/32/80/69/901328069.db2.gz ZUQQEZZBDRKCNE-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264745903 901328082 /nfs/dbraw/zinc/32/80/82/901328082.db2.gz ZUQQEZZBDRKCNE-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586816 902166908 /nfs/dbraw/zinc/16/69/08/902166908.db2.gz OWEFNJFRUHGZQE-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586816 902166919 /nfs/dbraw/zinc/16/69/19/902166919.db2.gz OWEFNJFRUHGZQE-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265694224 902308917 /nfs/dbraw/zinc/30/89/17/902308917.db2.gz QMXKCZDYZRHTPT-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283773025 907935854 /nfs/dbraw/zinc/93/58/54/907935854.db2.gz VSEABTFHIMMBMS-TZMCWYRMSA-N 2 2 316.405 1.598 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001284774600 909477473 /nfs/dbraw/zinc/47/74/73/909477473.db2.gz XWLOBKRQHHHPFR-NFOMZHRRSA-N 2 2 300.406 1.048 20 30 DDEDLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001396991672 914906240 /nfs/dbraw/zinc/90/62/40/914906240.db2.gz IVLVPUSXLGKWGA-QGZVFWFLSA-N 2 2 314.433 1.543 20 30 DDEDLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001396991672 914906257 /nfs/dbraw/zinc/90/62/57/914906257.db2.gz IVLVPUSXLGKWGA-QGZVFWFLSA-N 2 2 314.433 1.543 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329370086 539303896 /nfs/dbraw/zinc/30/38/96/539303896.db2.gz IOJAQOLFVLJJMO-HIFRSBDPSA-N 2 2 317.437 1.802 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329370086 539303897 /nfs/dbraw/zinc/30/38/97/539303897.db2.gz IOJAQOLFVLJJMO-HIFRSBDPSA-N 2 2 317.437 1.802 20 30 DDEDLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000358601824 299204690 /nfs/dbraw/zinc/20/46/90/299204690.db2.gz ZMNHTSORSUCGAA-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000358601824 299204695 /nfs/dbraw/zinc/20/46/95/299204695.db2.gz ZMNHTSORSUCGAA-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000316606546 354504654 /nfs/dbraw/zinc/50/46/54/354504654.db2.gz NRCFNRHYAZTMNF-UKRRQHHQSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000316606546 354504657 /nfs/dbraw/zinc/50/46/57/354504657.db2.gz NRCFNRHYAZTMNF-UKRRQHHQSA-N 2 2 321.446 1.404 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287641 357876173 /nfs/dbraw/zinc/87/61/73/357876173.db2.gz MPKLKEBZOXCDSA-HOTGVXAUSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287641 357876176 /nfs/dbraw/zinc/87/61/76/357876176.db2.gz MPKLKEBZOXCDSA-HOTGVXAUSA-N 2 2 318.421 1.591 20 30 DDEDLP CCN(C)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186817783 200016409 /nfs/dbraw/zinc/01/64/09/200016409.db2.gz AXAWFVJAMPZWIZ-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258329 360278098 /nfs/dbraw/zinc/27/80/98/360278098.db2.gz SVXHQGUGHFADQY-HNNXBMFYSA-N 2 2 315.421 1.863 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258329 360278100 /nfs/dbraw/zinc/27/81/00/360278100.db2.gz SVXHQGUGHFADQY-HNNXBMFYSA-N 2 2 315.421 1.863 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345786494 223350620 /nfs/dbraw/zinc/35/06/20/223350620.db2.gz ZGORLMFTPZCUPO-UHFFFAOYSA-N 2 2 314.393 1.245 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159006193 197319157 /nfs/dbraw/zinc/31/91/57/197319157.db2.gz KIZKZSKKGGWPRS-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159006193 197319158 /nfs/dbraw/zinc/31/91/58/197319158.db2.gz KIZKZSKKGGWPRS-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475036 285395283 /nfs/dbraw/zinc/39/52/83/285395283.db2.gz LEBJLWGJCFXGGZ-QRTARXTBSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475036 285395285 /nfs/dbraw/zinc/39/52/85/285395285.db2.gz LEBJLWGJCFXGGZ-QRTARXTBSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475036 285395286 /nfs/dbraw/zinc/39/52/86/285395286.db2.gz LEBJLWGJCFXGGZ-QRTARXTBSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475036 285395287 /nfs/dbraw/zinc/39/52/87/285395287.db2.gz LEBJLWGJCFXGGZ-QRTARXTBSA-N 2 2 306.454 1.599 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804951 406775038 /nfs/dbraw/zinc/77/50/38/406775038.db2.gz PFBWWHFGBSJXKI-KRWDZBQOSA-N 2 2 321.465 1.231 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804951 406775043 /nfs/dbraw/zinc/77/50/43/406775043.db2.gz PFBWWHFGBSJXKI-KRWDZBQOSA-N 2 2 321.465 1.231 20 30 DDEDLP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)C1(C#N)CCCCC1 ZINC000124264095 407352891 /nfs/dbraw/zinc/35/28/91/407352891.db2.gz BJSCSFMGEBSRDU-UHFFFAOYSA-N 2 2 317.437 1.890 20 30 DDEDLP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C1(C#N)CCCCC1 ZINC000124264095 407352893 /nfs/dbraw/zinc/35/28/93/407352893.db2.gz BJSCSFMGEBSRDU-UHFFFAOYSA-N 2 2 317.437 1.890 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000120297894 408126374 /nfs/dbraw/zinc/12/63/74/408126374.db2.gz UUCYVQAHTAFCLJ-INIZCTEOSA-N 2 2 302.418 1.757 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246387198 408240963 /nfs/dbraw/zinc/24/09/63/408240963.db2.gz ONWANKPUJJRWIC-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246387198 408240966 /nfs/dbraw/zinc/24/09/66/408240966.db2.gz ONWANKPUJJRWIC-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP Cn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000191332851 408407692 /nfs/dbraw/zinc/40/76/92/408407692.db2.gz DHATVCDZATXZLL-KRWDZBQOSA-N 2 2 315.465 1.499 20 30 DDEDLP Cn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000191332851 408407696 /nfs/dbraw/zinc/40/76/96/408407696.db2.gz DHATVCDZATXZLL-KRWDZBQOSA-N 2 2 315.465 1.499 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000194655762 408789705 /nfs/dbraw/zinc/78/97/05/408789705.db2.gz MRXJBQJHGKPIGZ-UHFFFAOYSA-N 2 2 323.400 1.229 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000295086009 409316380 /nfs/dbraw/zinc/31/63/80/409316380.db2.gz UJMFXBVMLJGHRA-CQSZACIVSA-N 2 2 323.462 1.200 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000295086009 409316382 /nfs/dbraw/zinc/31/63/82/409316382.db2.gz UJMFXBVMLJGHRA-CQSZACIVSA-N 2 2 323.462 1.200 20 30 DDEDLP CN(C)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000289447566 409274032 /nfs/dbraw/zinc/27/40/32/409274032.db2.gz UMCSSDIEMSYCOO-UHFFFAOYSA-N 2 2 318.381 1.034 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285599864 409504306 /nfs/dbraw/zinc/50/43/06/409504306.db2.gz JRGOFEFXTXCEMQ-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285599864 409504312 /nfs/dbraw/zinc/50/43/12/409504312.db2.gz JRGOFEFXTXCEMQ-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285599864 409504320 /nfs/dbraw/zinc/50/43/20/409504320.db2.gz JRGOFEFXTXCEMQ-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285599864 409504325 /nfs/dbraw/zinc/50/43/25/409504325.db2.gz JRGOFEFXTXCEMQ-UHFFFAOYSA-N 2 2 320.437 1.795 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442020 409965245 /nfs/dbraw/zinc/96/52/45/409965245.db2.gz ZELQPXDRUZPWOW-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442020 409965253 /nfs/dbraw/zinc/96/52/53/409965253.db2.gz ZELQPXDRUZPWOW-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442020 409965260 /nfs/dbraw/zinc/96/52/60/409965260.db2.gz ZELQPXDRUZPWOW-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442020 409965265 /nfs/dbraw/zinc/96/52/65/409965265.db2.gz ZELQPXDRUZPWOW-HUUCEWRRSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328601900 409934286 /nfs/dbraw/zinc/93/42/86/409934286.db2.gz GICWFEIMTAENMQ-UONOGXRCSA-N 2 2 305.426 1.701 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000329198003 410162226 /nfs/dbraw/zinc/16/22/26/410162226.db2.gz AFQPOWNIMYCRIP-UHFFFAOYSA-N 3 2 319.453 1.961 20 30 DDEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)NC1CC1 ZINC000329433706 410296927 /nfs/dbraw/zinc/29/69/27/410296927.db2.gz IOKJHMUNWIVACR-CYBMUJFWSA-N 2 2 304.350 1.568 20 30 DDEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)NC1CC1 ZINC000329433706 410296932 /nfs/dbraw/zinc/29/69/32/410296932.db2.gz IOKJHMUNWIVACR-CYBMUJFWSA-N 2 2 304.350 1.568 20 30 DDEDLP C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298720401 410367399 /nfs/dbraw/zinc/36/73/99/410367399.db2.gz BCXQVQXHNGYMRU-INIZCTEOSA-N 2 2 319.449 1.863 20 30 DDEDLP C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298720401 410367403 /nfs/dbraw/zinc/36/74/03/410367403.db2.gz BCXQVQXHNGYMRU-INIZCTEOSA-N 2 2 319.449 1.863 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588615 410489601 /nfs/dbraw/zinc/48/96/01/410489601.db2.gz LYKNOLXAHMVRGM-WBMJQRKESA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588615 410489603 /nfs/dbraw/zinc/48/96/03/410489603.db2.gz LYKNOLXAHMVRGM-WBMJQRKESA-N 2 2 318.396 1.688 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCC2)CC1 ZINC000330247229 410598924 /nfs/dbraw/zinc/59/89/24/410598924.db2.gz FMZZRTOXMGLWLS-ZDUSSCGKSA-N 2 2 303.410 1.282 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000343916023 410806958 /nfs/dbraw/zinc/80/69/58/410806958.db2.gz PFYVIDHNCHRNTJ-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000343916023 410806964 /nfs/dbraw/zinc/80/69/64/410806964.db2.gz PFYVIDHNCHRNTJ-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000348259730 410879867 /nfs/dbraw/zinc/87/98/67/410879867.db2.gz ALDFSHHDSIWZMM-XOKHGSTOSA-N 2 2 323.400 1.864 20 30 DDEDLP C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000348259730 410879875 /nfs/dbraw/zinc/87/98/75/410879875.db2.gz ALDFSHHDSIWZMM-XOKHGSTOSA-N 2 2 323.400 1.864 20 30 DDEDLP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000261885170 222260917 /nfs/dbraw/zinc/26/09/17/222260917.db2.gz RSEPSIASQVVHHL-JSGCOSHPSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000261885170 222260920 /nfs/dbraw/zinc/26/09/20/222260920.db2.gz RSEPSIASQVVHHL-JSGCOSHPSA-N 2 2 322.478 1.578 20 30 DDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000263279877 222307501 /nfs/dbraw/zinc/30/75/01/222307501.db2.gz ZSNSZGZSJMDJRJ-RBSFLKMASA-N 2 2 310.486 1.921 20 30 DDEDLP COc1ccc(CNC(=[NH2+])NCCn2cc[nH+]c2)cc1OC ZINC000264058884 222311093 /nfs/dbraw/zinc/31/10/93/222311093.db2.gz BWUQNGXRVBWMGD-UHFFFAOYSA-N 2 2 303.366 1.005 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000552913009 421597091 /nfs/dbraw/zinc/59/70/91/421597091.db2.gz IIFPGICJBASGGZ-UHFFFAOYSA-N 2 2 310.405 1.731 20 30 DDEDLP C[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519590314 421703784 /nfs/dbraw/zinc/70/37/84/421703784.db2.gz HBLVZYLSSQWFDH-HOTGVXAUSA-N 2 2 315.421 1.316 20 30 DDEDLP C[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519590314 421703788 /nfs/dbraw/zinc/70/37/88/421703788.db2.gz HBLVZYLSSQWFDH-HOTGVXAUSA-N 2 2 315.421 1.316 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572460944 421789605 /nfs/dbraw/zinc/78/96/05/421789605.db2.gz UAPHXJZYCGKSSB-ZDUSSCGKSA-N 2 2 324.388 1.431 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762240 423717014 /nfs/dbraw/zinc/71/70/14/423717014.db2.gz LDTOMLKIJZGYJD-DOTOQJQBSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762240 423717016 /nfs/dbraw/zinc/71/70/16/423717016.db2.gz LDTOMLKIJZGYJD-DOTOQJQBSA-N 2 2 311.470 1.188 20 30 DDEDLP Cc1ccc(C#N)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374253349 267375547 /nfs/dbraw/zinc/37/55/47/267375547.db2.gz HSTJXGAIQCGMLS-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531979 288040440 /nfs/dbraw/zinc/04/04/40/288040440.db2.gz RRSWWRKHVVJLOV-IRXDYDNUSA-N 2 2 314.433 1.939 20 30 DDEDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531979 288040442 /nfs/dbraw/zinc/04/04/42/288040442.db2.gz RRSWWRKHVVJLOV-IRXDYDNUSA-N 2 2 314.433 1.939 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000562960613 307949422 /nfs/dbraw/zinc/94/94/22/307949422.db2.gz RBGUMYKQRZIRCB-XOKHGSTOSA-N 2 2 312.417 1.784 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc12 ZINC000572961736 308229454 /nfs/dbraw/zinc/22/94/54/308229454.db2.gz XACHVJAOUBZFFR-AWEZNQCLSA-N 2 2 310.405 1.519 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc12 ZINC000572961736 308229455 /nfs/dbraw/zinc/22/94/55/308229455.db2.gz XACHVJAOUBZFFR-AWEZNQCLSA-N 2 2 310.405 1.519 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663303646 484793788 /nfs/dbraw/zinc/79/37/88/484793788.db2.gz IMWKVGZTIZZAPJ-WBVHZDCISA-N 2 2 321.465 1.418 20 30 DDEDLP C#C[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491465330 527201911 /nfs/dbraw/zinc/20/19/11/527201911.db2.gz WCHOZBFUTSPGIL-CQSZACIVSA-N 2 2 306.454 1.208 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738628 695722684 /nfs/dbraw/zinc/72/26/84/695722684.db2.gz CTTQPUJGUYZMPA-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738628 695722685 /nfs/dbraw/zinc/72/26/85/695722685.db2.gz CTTQPUJGUYZMPA-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740791 695723122 /nfs/dbraw/zinc/72/31/22/695723122.db2.gz HRSUEFQEQJHQTJ-UKRRQHHQSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974740791 695723125 /nfs/dbraw/zinc/72/31/25/695723125.db2.gz HRSUEFQEQJHQTJ-UKRRQHHQSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982307835 697089254 /nfs/dbraw/zinc/08/92/54/697089254.db2.gz BSSDPPSHPIPCCQ-KDURUIRLSA-N 2 2 322.412 1.980 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@]2(C)C1 ZINC000982307835 697089257 /nfs/dbraw/zinc/08/92/57/697089257.db2.gz BSSDPPSHPIPCCQ-KDURUIRLSA-N 2 2 322.412 1.980 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000984958472 697445050 /nfs/dbraw/zinc/44/50/50/697445050.db2.gz KQJYWWBASDQJCK-WKILWMFISA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987309825 698078110 /nfs/dbraw/zinc/07/81/10/698078110.db2.gz LBEDIIQRYBYRRO-DZGCQCFKSA-N 2 2 311.389 1.646 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000303888159 698609712 /nfs/dbraw/zinc/60/97/12/698609712.db2.gz OSHMSHAVJFNADR-VXGBXAGGSA-N 2 2 310.467 1.434 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000303888159 698609716 /nfs/dbraw/zinc/60/97/16/698609716.db2.gz OSHMSHAVJFNADR-VXGBXAGGSA-N 2 2 310.467 1.434 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOC[C@@H]2CCCO2)cc1 ZINC000782337698 698711111 /nfs/dbraw/zinc/71/11/11/698711111.db2.gz NATLOKVWIFCOOT-INIZCTEOSA-N 2 2 321.421 1.581 20 30 DDEDLP CN(C)c1ccc(C(N)=[NH+]OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000789738013 699405184 /nfs/dbraw/zinc/40/51/84/699405184.db2.gz IERMTKRQGXKVJR-IYBDPMFKSA-N 2 2 318.421 1.253 20 30 DDEDLP CN(C)c1ccc(C(N)=[NH+]OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000789738013 699405187 /nfs/dbraw/zinc/40/51/87/699405187.db2.gz IERMTKRQGXKVJR-IYBDPMFKSA-N 2 2 318.421 1.253 20 30 DDEDLP C#CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801583516 700324025 /nfs/dbraw/zinc/32/40/25/700324025.db2.gz ZKYBURCKAVOXBC-KRWDZBQOSA-N 2 2 313.445 1.626 20 30 DDEDLP C#CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801583516 700324028 /nfs/dbraw/zinc/32/40/28/700324028.db2.gz ZKYBURCKAVOXBC-KRWDZBQOSA-N 2 2 313.445 1.626 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCNC(=O)CC2)cc1 ZINC000842036925 702660962 /nfs/dbraw/zinc/66/09/62/702660962.db2.gz RKDIJMKJXQPWII-AWEZNQCLSA-N 2 2 318.421 1.301 20 30 DDEDLP C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000847319394 703400795 /nfs/dbraw/zinc/40/07/95/703400795.db2.gz PRUCORYXYVIXIW-CVEARBPZSA-N 2 2 318.465 1.210 20 30 DDEDLP C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000847319394 703400797 /nfs/dbraw/zinc/40/07/97/703400797.db2.gz PRUCORYXYVIXIW-CVEARBPZSA-N 2 2 318.465 1.210 20 30 DDEDLP C[NH2+]CC1CC[NH+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866659993 706755594 /nfs/dbraw/zinc/75/55/94/706755594.db2.gz ZUOXDSQKMVBNPO-MRXNPFEDSA-N 2 2 301.390 1.704 20 30 DDEDLP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852882909 704159702 /nfs/dbraw/zinc/15/97/02/704159702.db2.gz SBLIKVOUPXMYHW-GOSISDBHSA-N 2 2 311.429 1.505 20 30 DDEDLP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852882909 704159704 /nfs/dbraw/zinc/15/97/04/704159704.db2.gz SBLIKVOUPXMYHW-GOSISDBHSA-N 2 2 311.429 1.505 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000876716657 705835739 /nfs/dbraw/zinc/83/57/39/705835739.db2.gz JNQRNFANQNERCX-ZDUSSCGKSA-N 2 2 308.813 1.768 20 30 DDEDLP C=C(C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303609 706399423 /nfs/dbraw/zinc/39/94/23/706399423.db2.gz JZUBNIKQLJIOAL-HUUCEWRRSA-N 2 2 320.437 1.042 20 30 DDEDLP C=C(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303609 706399425 /nfs/dbraw/zinc/39/94/25/706399425.db2.gz JZUBNIKQLJIOAL-HUUCEWRRSA-N 2 2 320.437 1.042 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899506154 709102130 /nfs/dbraw/zinc/10/21/30/709102130.db2.gz JIRBVELJBZDFOB-INIZCTEOSA-N 2 2 314.433 1.830 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899506154 709102134 /nfs/dbraw/zinc/10/21/34/709102134.db2.gz JIRBVELJBZDFOB-INIZCTEOSA-N 2 2 314.433 1.830 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1C#N ZINC000905465458 712045634 /nfs/dbraw/zinc/04/56/34/712045634.db2.gz QILPOCVBFPMUCL-HNNXBMFYSA-N 2 2 305.447 1.825 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000905465458 712045636 /nfs/dbraw/zinc/04/56/36/712045636.db2.gz QILPOCVBFPMUCL-HNNXBMFYSA-N 2 2 305.447 1.825 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000930752075 713911296 /nfs/dbraw/zinc/91/12/96/713911296.db2.gz RQFYSJUCLMOBMZ-KRWDZBQOSA-N 2 2 317.481 1.922 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000930752075 713911297 /nfs/dbraw/zinc/91/12/97/713911297.db2.gz RQFYSJUCLMOBMZ-KRWDZBQOSA-N 2 2 317.481 1.922 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923400667 714342792 /nfs/dbraw/zinc/34/27/92/714342792.db2.gz XLZONNFOOCXXDO-GOEBONIOSA-N 2 2 301.390 1.172 20 30 DDEDLP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924965012 714709646 /nfs/dbraw/zinc/70/96/46/714709646.db2.gz MTOMQQAKSJMWDY-YOEHRIQHSA-N 2 2 316.449 1.940 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626132 715973478 /nfs/dbraw/zinc/97/34/78/715973478.db2.gz FXZCTTREISNRJF-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487065 717697075 /nfs/dbraw/zinc/69/70/75/717697075.db2.gz QMSAVIZAVPSDSB-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487065 717697079 /nfs/dbraw/zinc/69/70/79/717697079.db2.gz QMSAVIZAVPSDSB-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385638 717771519 /nfs/dbraw/zinc/77/15/19/717771519.db2.gz MONPZMZSOGRHHZ-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385638 717771523 /nfs/dbraw/zinc/77/15/23/717771523.db2.gz MONPZMZSOGRHHZ-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946616194 718853484 /nfs/dbraw/zinc/85/34/84/718853484.db2.gz YPAVJZOIRVYMIA-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946616194 718853488 /nfs/dbraw/zinc/85/34/88/718853488.db2.gz YPAVJZOIRVYMIA-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946616194 718853489 /nfs/dbraw/zinc/85/34/89/718853489.db2.gz YPAVJZOIRVYMIA-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946616194 718853492 /nfs/dbraw/zinc/85/34/92/718853492.db2.gz YPAVJZOIRVYMIA-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694361 718881658 /nfs/dbraw/zinc/88/16/58/718881658.db2.gz TTYAOVXPXIQCNO-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694361 718881661 /nfs/dbraw/zinc/88/16/61/718881661.db2.gz TTYAOVXPXIQCNO-IYBDPMFKSA-N 2 2 314.433 1.156 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947471336 719176298 /nfs/dbraw/zinc/17/62/98/719176298.db2.gz ASIONTVNURONCP-ZIAGYGMSSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947471336 719176301 /nfs/dbraw/zinc/17/63/01/719176301.db2.gz ASIONTVNURONCP-ZIAGYGMSSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968914472 719865099 /nfs/dbraw/zinc/86/50/99/719865099.db2.gz VNLDVARMWPDCIC-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968914472 719865104 /nfs/dbraw/zinc/86/51/04/719865104.db2.gz VNLDVARMWPDCIC-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000969692408 720252086 /nfs/dbraw/zinc/25/20/86/720252086.db2.gz JUXWBMYHSNXHQN-WBVHZDCISA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000969692408 720252089 /nfs/dbraw/zinc/25/20/89/720252089.db2.gz JUXWBMYHSNXHQN-WBVHZDCISA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213424 720664195 /nfs/dbraw/zinc/66/41/95/720664195.db2.gz NIRIWDFHKTVEMC-YOEHRIQHSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213424 720664199 /nfs/dbraw/zinc/66/41/99/720664199.db2.gz NIRIWDFHKTVEMC-YOEHRIQHSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970324354 720709941 /nfs/dbraw/zinc/70/99/41/720709941.db2.gz WJKDGFJUPOMBJR-PBHICJAKSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970324354 720709946 /nfs/dbraw/zinc/70/99/46/720709946.db2.gz WJKDGFJUPOMBJR-PBHICJAKSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001020660755 732611200 /nfs/dbraw/zinc/61/12/00/732611200.db2.gz FKFNOPCFTNRDOB-SHTZXODSSA-N 2 2 307.438 1.054 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001022966470 734971806 /nfs/dbraw/zinc/97/18/06/734971806.db2.gz WOBBNOMGOTXLEI-OKILXGFUSA-N 2 2 311.389 1.694 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452216 735244786 /nfs/dbraw/zinc/24/47/86/735244786.db2.gz UWZPJZIXILTMQI-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452216 735244789 /nfs/dbraw/zinc/24/47/89/735244789.db2.gz UWZPJZIXILTMQI-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511511 735886501 /nfs/dbraw/zinc/88/65/01/735886501.db2.gz GOALYTGMVXLSLX-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511511 735886504 /nfs/dbraw/zinc/88/65/04/735886504.db2.gz GOALYTGMVXLSLX-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520134 735888846 /nfs/dbraw/zinc/88/88/46/735888846.db2.gz DIPXCLITGQGKPZ-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520134 735888853 /nfs/dbraw/zinc/88/88/53/735888853.db2.gz DIPXCLITGQGKPZ-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237860 736385181 /nfs/dbraw/zinc/38/51/81/736385181.db2.gz PIKKWSOWKXQKSK-SJORKVTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237860 736385185 /nfs/dbraw/zinc/38/51/85/736385185.db2.gz PIKKWSOWKXQKSK-SJORKVTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237860 736385188 /nfs/dbraw/zinc/38/51/88/736385188.db2.gz PIKKWSOWKXQKSK-SJORKVTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237860 736385192 /nfs/dbraw/zinc/38/51/92/736385192.db2.gz PIKKWSOWKXQKSK-SJORKVTESA-N 2 2 314.433 1.821 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001026400165 737482436 /nfs/dbraw/zinc/48/24/36/737482436.db2.gz FMUSVSHDULUOSP-AEGPPILISA-N 2 2 322.840 1.542 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001026408465 737498913 /nfs/dbraw/zinc/49/89/13/737498913.db2.gz DKRRRMAYNASWRK-CWRNSKLLSA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638654 739829658 /nfs/dbraw/zinc/82/96/58/739829658.db2.gz NBJFAINNIIMBLZ-KGLIPLIRSA-N 2 2 322.840 1.636 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638654 739829664 /nfs/dbraw/zinc/82/96/64/739829664.db2.gz NBJFAINNIIMBLZ-KGLIPLIRSA-N 2 2 322.840 1.636 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639249 739830242 /nfs/dbraw/zinc/83/02/42/739830242.db2.gz VPIZOEXNXNOFER-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639249 739830247 /nfs/dbraw/zinc/83/02/47/739830247.db2.gz VPIZOEXNXNOFER-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906473 740162002 /nfs/dbraw/zinc/16/20/02/740162002.db2.gz NKESEPOFXAHSLR-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906473 740162006 /nfs/dbraw/zinc/16/20/06/740162006.db2.gz NKESEPOFXAHSLR-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744135 740202559 /nfs/dbraw/zinc/20/25/59/740202559.db2.gz AJSUAVQPYOQVQN-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744135 740202560 /nfs/dbraw/zinc/20/25/60/740202560.db2.gz AJSUAVQPYOQVQN-LSDHHAIUSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035479668 751533929 /nfs/dbraw/zinc/53/39/29/751533929.db2.gz BVTMWWBNKPKFGF-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035479668 751533931 /nfs/dbraw/zinc/53/39/31/751533931.db2.gz BVTMWWBNKPKFGF-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035479668 751533934 /nfs/dbraw/zinc/53/39/34/751533934.db2.gz BVTMWWBNKPKFGF-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035479668 751533936 /nfs/dbraw/zinc/53/39/36/751533936.db2.gz BVTMWWBNKPKFGF-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035479663 751534362 /nfs/dbraw/zinc/53/43/62/751534362.db2.gz BVTMWWBNKPKFGF-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035479663 751534366 /nfs/dbraw/zinc/53/43/66/751534366.db2.gz BVTMWWBNKPKFGF-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035479663 751534372 /nfs/dbraw/zinc/53/43/72/751534372.db2.gz BVTMWWBNKPKFGF-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035479663 751534379 /nfs/dbraw/zinc/53/43/79/751534379.db2.gz BVTMWWBNKPKFGF-CVEARBPZSA-N 2 2 309.454 1.111 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720375 740720280 /nfs/dbraw/zinc/72/02/80/740720280.db2.gz QPKXFPSFAVYZSU-OFQRWUPVSA-N 2 2 314.433 1.822 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720375 740720281 /nfs/dbraw/zinc/72/02/81/740720281.db2.gz QPKXFPSFAVYZSU-OFQRWUPVSA-N 2 2 314.433 1.822 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039148 740962547 /nfs/dbraw/zinc/96/25/47/740962547.db2.gz ASFCXYKRGQUAIH-CVEARBPZSA-N 2 2 322.412 1.752 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088039148 740962548 /nfs/dbraw/zinc/96/25/48/740962548.db2.gz ASFCXYKRGQUAIH-CVEARBPZSA-N 2 2 322.412 1.752 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035534651 751616221 /nfs/dbraw/zinc/61/62/21/751616221.db2.gz VUWYFMASWMLUFV-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035534651 751616225 /nfs/dbraw/zinc/61/62/25/751616225.db2.gz VUWYFMASWMLUFV-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534651 751616229 /nfs/dbraw/zinc/61/62/29/751616229.db2.gz VUWYFMASWMLUFV-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534651 751616235 /nfs/dbraw/zinc/61/62/35/751616235.db2.gz VUWYFMASWMLUFV-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088337573 741410224 /nfs/dbraw/zinc/41/02/24/741410224.db2.gz IXBJIEMXQRUWPP-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337627 741410730 /nfs/dbraw/zinc/41/07/30/741410730.db2.gz KFQPIVXMOPHDDJ-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001088414034 741472837 /nfs/dbraw/zinc/47/28/37/741472837.db2.gz VNFSRNDHJOWZBR-CQSZACIVSA-N 2 2 302.422 1.681 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962953 742283552 /nfs/dbraw/zinc/28/35/52/742283552.db2.gz WDTLBOHYNUXUEB-HLLBOEOZSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962953 742283557 /nfs/dbraw/zinc/28/35/57/742283557.db2.gz WDTLBOHYNUXUEB-HLLBOEOZSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998321469 751720704 /nfs/dbraw/zinc/72/07/04/751720704.db2.gz NNKXDGWPTXEZBS-VXGBXAGGSA-N 2 2 316.327 1.438 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303332 742647573 /nfs/dbraw/zinc/64/75/73/742647573.db2.gz RDRVPHUHBQTUQM-HRCADAONSA-N 2 2 302.422 1.943 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303332 742647576 /nfs/dbraw/zinc/64/75/76/742647576.db2.gz RDRVPHUHBQTUQM-HRCADAONSA-N 2 2 302.422 1.943 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076311347 742658417 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ICGDOJGLSFGTMC-ULQDDVLXSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](CC)OC)C1 ZINC001030031447 743740944 /nfs/dbraw/zinc/74/09/44/743740944.db2.gz ICGDOJGLSFGTMC-ULQDDVLXSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](CC)OC)C1 ZINC001030031447 743740948 /nfs/dbraw/zinc/74/09/48/743740948.db2.gz ICGDOJGLSFGTMC-ULQDDVLXSA-N 2 2 321.465 1.090 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183577058 743862540 /nfs/dbraw/zinc/86/25/40/743862540.db2.gz WJVUWKJHCVKYEV-OAHLLOKOSA-N 2 2 303.406 1.789 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595174 744255613 /nfs/dbraw/zinc/25/56/13/744255613.db2.gz PZYXGEVSFVRMOL-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000992850307 745249037 /nfs/dbraw/zinc/24/90/37/745249037.db2.gz FWKIFDBTKWIPKF-USXIJHARSA-N 2 2 316.449 1.755 20 30 DDEDLP 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757274197 /nfs/dbraw/zinc/27/41/97/757274197.db2.gz JNTCCZTYCWQINE-GJZGRUSLSA-N 2 2 314.433 1.602 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001016695210 757274594 /nfs/dbraw/zinc/27/45/94/757274594.db2.gz HJDAIDJXROEZBA-LSDHHAIUSA-N 2 2 312.417 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452409 757574072 /nfs/dbraw/zinc/57/40/72/757574072.db2.gz CLJMUQOPDPTMBF-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452409 757574075 /nfs/dbraw/zinc/57/40/75/757574075.db2.gz CLJMUQOPDPTMBF-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465188 757583669 /nfs/dbraw/zinc/58/36/69/757583669.db2.gz DCTCEAOOBKUGPB-BZUAXINKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465188 757583674 /nfs/dbraw/zinc/58/36/74/757583674.db2.gz DCTCEAOOBKUGPB-BZUAXINKSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053047447 758107919 /nfs/dbraw/zinc/10/79/19/758107919.db2.gz QIMBOPZHDJCQRE-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001053047447 758107924 /nfs/dbraw/zinc/10/79/24/758107924.db2.gz QIMBOPZHDJCQRE-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975781 758114903 /nfs/dbraw/zinc/11/49/03/758114903.db2.gz SVQLDXPIRLENCA-OAGGEKHMSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057405 758116133 /nfs/dbraw/zinc/11/61/33/758116133.db2.gz JFSSUXHKAUQTLX-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057405 758116137 /nfs/dbraw/zinc/11/61/37/758116137.db2.gz JFSSUXHKAUQTLX-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP 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C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)O2 ZINC001053701626 758711181 /nfs/dbraw/zinc/71/11/81/758711181.db2.gz ZFQLCDZOWZKBIN-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)O2 ZINC001053701626 758711185 /nfs/dbraw/zinc/71/11/85/758711185.db2.gz ZFQLCDZOWZKBIN-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046740634 767873687 /nfs/dbraw/zinc/87/36/87/767873687.db2.gz BXAOGOHYBCVTKP-KRWDZBQOSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046740634 767873693 /nfs/dbraw/zinc/87/36/93/767873693.db2.gz BXAOGOHYBCVTKP-KRWDZBQOSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001085986837 760657306 /nfs/dbraw/zinc/65/73/06/760657306.db2.gz OAWUQWYSMZKWTE-LWAXHKBTSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001085986837 760657307 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C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274854412 852642882 /nfs/dbraw/zinc/64/28/82/852642882.db2.gz AEPPVGFXZSUTJM-HZPDHXFCSA-N 2 2 315.421 1.013 20 30 DDEDLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1[nH]ccc1C#N ZINC001274854412 852642887 /nfs/dbraw/zinc/64/28/87/852642887.db2.gz AEPPVGFXZSUTJM-HZPDHXFCSA-N 2 2 315.421 1.013 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150662799 862400195 /nfs/dbraw/zinc/40/01/95/862400195.db2.gz DQEJDQONUMJLRB-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150662799 862400213 /nfs/dbraw/zinc/40/02/13/862400213.db2.gz DQEJDQONUMJLRB-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826032 862484639 /nfs/dbraw/zinc/48/46/39/862484639.db2.gz ZOFSZWKQEMSZMQ-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150826032 862484645 /nfs/dbraw/zinc/48/46/45/862484645.db2.gz ZOFSZWKQEMSZMQ-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771907 855336499 /nfs/dbraw/zinc/33/64/99/855336499.db2.gz DSGNJEMNPZAPST-KMFMINBZSA-N 2 2 314.433 1.669 20 30 DDEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151374356 862749288 /nfs/dbraw/zinc/74/92/88/862749288.db2.gz HITAKLVOXVROIQ-UHFFFAOYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328288359 862868738 /nfs/dbraw/zinc/86/87/38/862868738.db2.gz ZMGQCCJATYTGBV-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001328288359 862868757 /nfs/dbraw/zinc/86/87/57/862868757.db2.gz ZMGQCCJATYTGBV-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158464 858149004 /nfs/dbraw/zinc/14/90/04/858149004.db2.gz YNUFZLCUACELCD-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158464 858149010 /nfs/dbraw/zinc/14/90/10/858149010.db2.gz YNUFZLCUACELCD-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122139894 858695166 /nfs/dbraw/zinc/69/51/66/858695166.db2.gz HURCPWLMFTXADS-UHFFFAOYSA-N 2 2 312.417 1.488 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001381433187 881757302 /nfs/dbraw/zinc/75/73/02/881757302.db2.gz HXAOWWOXDVPXSZ-VHSXEESVSA-N 2 2 315.215 1.344 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158148296 864457219 /nfs/dbraw/zinc/45/72/19/864457219.db2.gz LUAVVMMPOIFQAX-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158148296 864457228 /nfs/dbraw/zinc/45/72/28/864457228.db2.gz LUAVVMMPOIFQAX-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP COc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(F)cc1C#N ZINC001158269281 864529346 /nfs/dbraw/zinc/52/93/46/864529346.db2.gz PSJFPKZOCCFGJG-GFCCVEGCSA-N 2 2 319.384 1.103 20 30 DDEDLP COc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(F)cc1C#N ZINC001158269281 864529361 /nfs/dbraw/zinc/52/93/61/864529361.db2.gz PSJFPKZOCCFGJG-GFCCVEGCSA-N 2 2 319.384 1.103 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158472075 864676402 /nfs/dbraw/zinc/67/64/02/864676402.db2.gz SEXZMCFWNWZASY-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158472075 864676411 /nfs/dbraw/zinc/67/64/11/864676411.db2.gz SEXZMCFWNWZASY-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332111447 865585445 /nfs/dbraw/zinc/58/54/45/865585445.db2.gz NALOBQZADILDAF-LZLYRXPVSA-N 2 2 314.433 1.971 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529379 865914246 /nfs/dbraw/zinc/91/42/46/865914246.db2.gz IFDFXQKNQMDNAC-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001160529379 865914250 /nfs/dbraw/zinc/91/42/50/865914250.db2.gz IFDFXQKNQMDNAC-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806329 866303449 /nfs/dbraw/zinc/30/34/49/866303449.db2.gz FIAJVAKGJOXYCP-JKSUJKDBSA-N 2 2 316.449 1.777 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001323317313 866523968 /nfs/dbraw/zinc/52/39/68/866523968.db2.gz FOXBBXYTKDGMRX-MRXNPFEDSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001323317313 866523982 /nfs/dbraw/zinc/52/39/82/866523982.db2.gz FOXBBXYTKDGMRX-MRXNPFEDSA-N 2 2 309.454 1.256 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001324482684 867303705 /nfs/dbraw/zinc/30/37/05/867303705.db2.gz MHZZEFLXZRJCGV-HNNXBMFYSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC001336798153 869149035 /nfs/dbraw/zinc/14/90/35/869149035.db2.gz VYEXQEKHTOLRBB-UHFFFAOYSA-N 2 2 322.449 1.158 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474366 870013629 /nfs/dbraw/zinc/01/36/29/870013629.db2.gz MQPFKHOKYDMVKA-UHFFFAOYSA-N 2 2 310.829 1.902 20 30 DDEDLP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317655358 871330584 /nfs/dbraw/zinc/33/05/84/871330584.db2.gz PYLRVWZXZIFAMV-UHFFFAOYSA-N 2 2 324.428 1.787 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947167 872442367 /nfs/dbraw/zinc/44/23/67/872442367.db2.gz HNHPCUCNCCBWPF-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947167 872442379 /nfs/dbraw/zinc/44/23/79/872442379.db2.gz HNHPCUCNCCBWPF-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872551 872676679 /nfs/dbraw/zinc/67/66/79/872676679.db2.gz JSNXNUNUJRQUHK-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453379 874158050 /nfs/dbraw/zinc/15/80/50/874158050.db2.gz FYWYOPXCEQITSU-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241636 875859754 /nfs/dbraw/zinc/85/97/54/875859754.db2.gz GRGAJEWILMJMCO-BZUAXINKSA-N 2 2 320.437 1.443 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241636 875859760 /nfs/dbraw/zinc/85/97/60/875859760.db2.gz GRGAJEWILMJMCO-BZUAXINKSA-N 2 2 320.437 1.443 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008560 876539171 /nfs/dbraw/zinc/53/91/71/876539171.db2.gz SDBVCOKPHBBVMI-RBSFLKMASA-N 2 2 302.422 1.458 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624634 877617630 /nfs/dbraw/zinc/61/76/30/877617630.db2.gz VGUKHUNPTJOEIX-YESZJQIVSA-N 2 2 321.465 1.042 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624634 877617637 /nfs/dbraw/zinc/61/76/37/877617637.db2.gz VGUKHUNPTJOEIX-YESZJQIVSA-N 2 2 321.465 1.042 20 30 DDEDLP N#Cc1ccc(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1F ZINC001220449000 879026309 /nfs/dbraw/zinc/02/63/09/879026309.db2.gz GGLMVRFIIFFWLA-INIZCTEOSA-N 2 2 312.348 1.586 20 30 DDEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840719 880709422 /nfs/dbraw/zinc/70/94/22/880709422.db2.gz VAEFWWAKSSBWBS-GOSISDBHSA-N 2 2 315.465 1.736 20 30 DDEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840719 880709431 /nfs/dbraw/zinc/70/94/31/880709431.db2.gz VAEFWWAKSSBWBS-GOSISDBHSA-N 2 2 315.465 1.736 20 30 DDEDLP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277663543 886364754 /nfs/dbraw/zinc/36/47/54/886364754.db2.gz ZHCSEAMTNVYZBJ-RDJZCZTQSA-N 2 2 316.449 1.848 20 30 DDEDLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145335 889841866 /nfs/dbraw/zinc/84/18/66/889841866.db2.gz BFLHEUSMAKMUKT-DAYGRLMNSA-N 2 2 316.449 1.355 20 30 DDEDLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145335 889841882 /nfs/dbraw/zinc/84/18/82/889841882.db2.gz BFLHEUSMAKMUKT-DAYGRLMNSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145335 889841898 /nfs/dbraw/zinc/84/18/98/889841898.db2.gz BFLHEUSMAKMUKT-DAYGRLMNSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145335 889841916 /nfs/dbraw/zinc/84/19/16/889841916.db2.gz BFLHEUSMAKMUKT-DAYGRLMNSA-N 2 2 316.449 1.355 20 30 DDEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278570062 894291193 /nfs/dbraw/zinc/29/11/93/894291193.db2.gz CHFACTHYUAYASH-ZFWWWQNUSA-N 2 2 303.406 1.693 20 30 DDEDLP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252490113 895208187 /nfs/dbraw/zinc/20/81/87/895208187.db2.gz DLAPEYWGNXOEQY-GOSISDBHSA-N 2 2 320.433 1.510 20 30 DDEDLP C=C[C@](C)(O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001252540782 895256341 /nfs/dbraw/zinc/25/63/41/895256341.db2.gz AQOXZIFDONZPKH-SFHVURJKSA-N 2 2 320.433 1.424 20 30 DDEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252553574 895276333 /nfs/dbraw/zinc/27/63/33/895276333.db2.gz ZQPLNBWANHYJSN-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252553574 895276345 /nfs/dbraw/zinc/27/63/45/895276345.db2.gz ZQPLNBWANHYJSN-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252553574 895276359 /nfs/dbraw/zinc/27/63/59/895276359.db2.gz ZQPLNBWANHYJSN-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252553574 895276373 /nfs/dbraw/zinc/27/63/73/895276373.db2.gz ZQPLNBWANHYJSN-FGTMMUONSA-N 2 2 301.434 1.772 20 30 DDEDLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367040584 895651677 /nfs/dbraw/zinc/65/16/77/895651677.db2.gz XKEOUCPLARGEDI-IAGOWNOFSA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367040584 895651687 /nfs/dbraw/zinc/65/16/87/895651687.db2.gz XKEOUCPLARGEDI-IAGOWNOFSA-N 2 2 314.433 1.589 20 30 DDEDLP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001253577520 895905538 /nfs/dbraw/zinc/90/55/38/895905538.db2.gz WCJSCBNVJKXTSQ-MRXNPFEDSA-N 2 2 306.406 1.493 20 30 DDEDLP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001253577520 895905546 /nfs/dbraw/zinc/90/55/46/895905546.db2.gz WCJSCBNVJKXTSQ-MRXNPFEDSA-N 2 2 306.406 1.493 20 30 DDEDLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001367142251 895989638 /nfs/dbraw/zinc/98/96/38/895989638.db2.gz UJSVBCFOUGGXTJ-LLVKDONJSA-N 2 2 317.418 1.570 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001367475930 896866749 /nfs/dbraw/zinc/86/67/49/896866749.db2.gz BYAVTIHSXCSAKS-ZDUSSCGKSA-N 2 2 312.845 1.836 20 30 DDEDLP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001374850900 914127890 /nfs/dbraw/zinc/12/78/90/914127890.db2.gz BRVSUVPUKLYPJF-GFCCVEGCSA-N 2 2 315.352 1.188 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038850 897930189 /nfs/dbraw/zinc/93/01/89/897930189.db2.gz NVIODNXWALVIPI-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001390897356 900465010 /nfs/dbraw/zinc/46/50/10/900465010.db2.gz COQKIRKTLIYIHR-UONOGXRCSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001390897356 900465013 /nfs/dbraw/zinc/46/50/13/900465013.db2.gz COQKIRKTLIYIHR-UONOGXRCSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001390897356 900465016 /nfs/dbraw/zinc/46/50/16/900465016.db2.gz COQKIRKTLIYIHR-UONOGXRCSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001390897356 900465020 /nfs/dbraw/zinc/46/50/20/900465020.db2.gz COQKIRKTLIYIHR-UONOGXRCSA-N 2 2 301.862 1.907 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390367 901959058 /nfs/dbraw/zinc/95/90/58/901959058.db2.gz DEYMJRKZZGHHHK-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390367 901959074 /nfs/dbraw/zinc/95/90/74/901959074.db2.gz DEYMJRKZZGHHHK-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001265694225 902308879 /nfs/dbraw/zinc/30/88/79/902308879.db2.gz QMXKCZDYZRHTPT-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266075325 902893950 /nfs/dbraw/zinc/89/39/50/902893950.db2.gz LSMZIFBEBAXQIV-HUUCEWRRSA-N 2 2 302.422 1.393 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001279184174 903190808 /nfs/dbraw/zinc/19/08/08/903190808.db2.gz UZACSHYMHZZYIR-KBPBESRZSA-N 2 2 304.438 1.948 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392143212 903381794 /nfs/dbraw/zinc/38/17/94/903381794.db2.gz RLPFBQMESMNMJJ-AWEZNQCLSA-N 2 2 311.389 1.391 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001371260670 904593185 /nfs/dbraw/zinc/59/31/85/904593185.db2.gz IUWSJCQELYHTMX-JTQLQIEISA-N 2 2 300.790 1.197 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611472 904940152 /nfs/dbraw/zinc/94/01/52/904940152.db2.gz RXFGBOBVJURGBP-QZTJIDSGSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611472 904940164 /nfs/dbraw/zinc/94/01/64/904940164.db2.gz RXFGBOBVJURGBP-QZTJIDSGSA-N 2 2 313.445 1.845 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571464 905045012 /nfs/dbraw/zinc/04/50/12/905045012.db2.gz JMLMXOGDNBRDSZ-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571464 905045032 /nfs/dbraw/zinc/04/50/32/905045032.db2.gz JMLMXOGDNBRDSZ-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571464 905045053 /nfs/dbraw/zinc/04/50/53/905045053.db2.gz JMLMXOGDNBRDSZ-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571464 905045070 /nfs/dbraw/zinc/04/50/70/905045070.db2.gz JMLMXOGDNBRDSZ-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282430857 905782290 /nfs/dbraw/zinc/78/22/90/905782290.db2.gz GFYSLOYSTXCJRL-CQSZACIVSA-N 2 2 316.405 1.587 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282430857 905782299 /nfs/dbraw/zinc/78/22/99/905782299.db2.gz GFYSLOYSTXCJRL-CQSZACIVSA-N 2 2 316.405 1.587 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001393788387 907915936 /nfs/dbraw/zinc/91/59/36/907915936.db2.gz UCOSAACBFFSEOR-UONOGXRCSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001393788387 907915941 /nfs/dbraw/zinc/91/59/41/907915941.db2.gz UCOSAACBFFSEOR-UONOGXRCSA-N 2 2 310.829 1.995 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161309476 539221263 /nfs/dbraw/zinc/22/12/63/539221263.db2.gz IDYIEBKMUUXMKN-UHFFFAOYSA-N 2 2 300.406 1.404 20 30 DDEDLP C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000328838753 539299295 /nfs/dbraw/zinc/29/92/95/539299295.db2.gz YJOCYZSZIQJJQE-AWEZNQCLSA-N 2 2 319.453 1.354 20 30 DDEDLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329398299 539304078 /nfs/dbraw/zinc/30/40/78/539304078.db2.gz YDCNYUYQWDOPCY-HUUCEWRRSA-N 2 2 319.453 1.428 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@@H](C)C1 ZINC000087511931 353751619 /nfs/dbraw/zinc/75/16/19/353751619.db2.gz HIWUYIWRFZZKRY-OLZOCXBDSA-N 2 2 306.458 1.730 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(C#N)CC3)CC2)CC1 ZINC000590196173 355057667 /nfs/dbraw/zinc/05/76/67/355057667.db2.gz GGQXKHSGPVFJKQ-UHFFFAOYSA-N 2 2 304.438 1.355 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000594437116 356214082 /nfs/dbraw/zinc/21/40/82/356214082.db2.gz IENOZIBUMAUASY-INIZCTEOSA-N 2 2 300.406 1.530 20 30 DDEDLP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595046706 356376623 /nfs/dbraw/zinc/37/66/23/356376623.db2.gz NKPWKMNVDGLUSP-HNNXBMFYSA-N 2 2 324.432 1.792 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329616578 223003036 /nfs/dbraw/zinc/00/30/36/223003036.db2.gz LLEIBDOYUWDMLV-LBPRGKRZSA-N 2 2 314.393 1.715 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329616578 223003040 /nfs/dbraw/zinc/00/30/40/223003040.db2.gz LLEIBDOYUWDMLV-LBPRGKRZSA-N 2 2 314.393 1.715 20 30 DDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598615530 357654414 /nfs/dbraw/zinc/65/44/14/357654414.db2.gz CNWKFOQMDHTEIR-GOEBONIOSA-N 2 2 309.454 1.472 20 30 DDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598615530 357654418 /nfs/dbraw/zinc/65/44/18/357654418.db2.gz CNWKFOQMDHTEIR-GOEBONIOSA-N 2 2 309.454 1.472 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600726297 358298052 /nfs/dbraw/zinc/29/80/52/358298052.db2.gz SFIBBBWUEFSEKG-IRXDYDNUSA-N 2 2 317.433 1.762 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000602557751 359044041 /nfs/dbraw/zinc/04/40/41/359044041.db2.gz HPODTBUCJFODDR-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602557751 359044045 /nfs/dbraw/zinc/04/40/45/359044045.db2.gz HPODTBUCJFODDR-IBGZPJMESA-N 2 2 322.412 1.680 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329928073 223047790 /nfs/dbraw/zinc/04/77/90/223047790.db2.gz XNUILQKEYSQRHR-KBPBESRZSA-N 2 2 317.437 1.433 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329928073 223047792 /nfs/dbraw/zinc/04/77/92/223047792.db2.gz XNUILQKEYSQRHR-KBPBESRZSA-N 2 2 317.437 1.433 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000611387647 360709412 /nfs/dbraw/zinc/70/94/12/360709412.db2.gz RJGWLIBLHGSNOP-LSDHHAIUSA-N 2 2 314.433 1.761 20 30 DDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000618903276 363789969 /nfs/dbraw/zinc/78/99/69/363789969.db2.gz PJEUEMNIIIDNHX-UHFFFAOYSA-N 2 2 324.388 1.432 20 30 DDEDLP COC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271862231 209277426 /nfs/dbraw/zinc/27/74/26/209277426.db2.gz KUFVMFHFXDDZJQ-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccccn1 ZINC000170910309 407551543 /nfs/dbraw/zinc/55/15/43/407551543.db2.gz ROQLTLSQZNPNCT-HNNXBMFYSA-N 2 2 321.450 1.016 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1ccccc1Cl ZINC000114085614 407539655 /nfs/dbraw/zinc/53/96/55/407539655.db2.gz FSKSEWUOKVRNQF-AWEZNQCLSA-N 2 2 324.856 1.678 20 30 DDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1ccccc1Cl ZINC000114085614 407539661 /nfs/dbraw/zinc/53/96/61/407539661.db2.gz FSKSEWUOKVRNQF-AWEZNQCLSA-N 2 2 324.856 1.678 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131462201 407736897 /nfs/dbraw/zinc/73/68/97/407736897.db2.gz DONQIFHLOVKECW-QGZVFWFLSA-N 2 2 308.422 1.662 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282396 408332020 /nfs/dbraw/zinc/33/20/20/408332020.db2.gz JNKRVIMZBBVRSR-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282396 408332022 /nfs/dbraw/zinc/33/20/22/408332022.db2.gz JNKRVIMZBBVRSR-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282396 408332025 /nfs/dbraw/zinc/33/20/25/408332025.db2.gz JNKRVIMZBBVRSR-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282396 408332028 /nfs/dbraw/zinc/33/20/28/408332028.db2.gz JNKRVIMZBBVRSR-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP C[NH+]=C(NCc1ccn(C)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160110730 408457982 /nfs/dbraw/zinc/45/79/82/408457982.db2.gz XSDANKRENFSMKY-HOCLYGCPSA-N 2 2 314.437 1.880 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128211 408538025 /nfs/dbraw/zinc/53/80/25/408538025.db2.gz ODYJKPZTWPUDNV-UXLLHSPISA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128211 408538028 /nfs/dbraw/zinc/53/80/28/408538028.db2.gz ODYJKPZTWPUDNV-UXLLHSPISA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248128211 408538032 /nfs/dbraw/zinc/53/80/32/408538032.db2.gz ODYJKPZTWPUDNV-UXLLHSPISA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248128211 408538038 /nfs/dbraw/zinc/53/80/38/408538038.db2.gz ODYJKPZTWPUDNV-UXLLHSPISA-N 2 2 306.454 1.457 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192041641 163213946 /nfs/dbraw/zinc/21/39/46/163213946.db2.gz HQDJZJWPJKKVED-OAHLLOKOSA-N 2 2 303.381 1.851 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192041641 163213948 /nfs/dbraw/zinc/21/39/48/163213948.db2.gz HQDJZJWPJKKVED-OAHLLOKOSA-N 2 2 303.381 1.851 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330284725 410610683 /nfs/dbraw/zinc/61/06/83/410610683.db2.gz XXDUCRGTYHRSRE-CQSZACIVSA-N 2 2 305.426 1.528 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330284725 410610688 /nfs/dbraw/zinc/61/06/88/410610688.db2.gz XXDUCRGTYHRSRE-CQSZACIVSA-N 2 2 305.426 1.528 20 30 DDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC000352777370 410677166 /nfs/dbraw/zinc/67/71/66/410677166.db2.gz HGIPKLZPZQHLFY-UHFFFAOYSA-N 2 2 304.413 1.767 20 30 DDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1F ZINC000352777370 410677181 /nfs/dbraw/zinc/67/71/81/410677181.db2.gz HGIPKLZPZQHLFY-UHFFFAOYSA-N 2 2 304.413 1.767 20 30 DDEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352801698 410682237 /nfs/dbraw/zinc/68/22/37/410682237.db2.gz SCAFONUKACJATH-AWEZNQCLSA-N 2 2 315.339 1.979 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278560 410687206 /nfs/dbraw/zinc/68/72/06/410687206.db2.gz SVNJWGYFDAXGOL-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278560 410687213 /nfs/dbraw/zinc/68/72/13/410687213.db2.gz SVNJWGYFDAXGOL-WBVHZDCISA-N 2 2 308.470 1.847 20 30 DDEDLP C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850732 418526984 /nfs/dbraw/zinc/52/69/84/418526984.db2.gz ADYOWUNRBLCIFG-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850732 418526985 /nfs/dbraw/zinc/52/69/85/418526985.db2.gz ADYOWUNRBLCIFG-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117211 418562061 /nfs/dbraw/zinc/56/20/61/418562061.db2.gz MJNUNDUBGUWLDK-OAHLLOKOSA-N 2 2 316.449 1.669 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247646316 222230839 /nfs/dbraw/zinc/23/08/39/222230839.db2.gz UKJPHFBWZDPPMC-FUHWJXTLSA-N 2 2 320.481 1.849 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247646316 222230842 /nfs/dbraw/zinc/23/08/42/222230842.db2.gz UKJPHFBWZDPPMC-FUHWJXTLSA-N 2 2 320.481 1.849 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000368442028 418720403 /nfs/dbraw/zinc/72/04/03/418720403.db2.gz KGSQBRQPWAWDFZ-LJQANCHMSA-N 2 2 315.436 1.889 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000368442028 418720404 /nfs/dbraw/zinc/72/04/04/418720404.db2.gz KGSQBRQPWAWDFZ-LJQANCHMSA-N 2 2 315.436 1.889 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808919 418689111 /nfs/dbraw/zinc/68/91/11/418689111.db2.gz DPAUMBWDELBMNX-LSDHHAIUSA-N 2 2 302.422 1.781 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808919 418689113 /nfs/dbraw/zinc/68/91/13/418689113.db2.gz DPAUMBWDELBMNX-LSDHHAIUSA-N 2 2 302.422 1.781 20 30 DDEDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528414628 421487578 /nfs/dbraw/zinc/48/75/78/421487578.db2.gz RPZTVTAEMRFSAO-QGZVFWFLSA-N 2 2 317.433 1.760 20 30 DDEDLP C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000517231815 421602556 /nfs/dbraw/zinc/60/25/56/421602556.db2.gz QMKUHNPIOPGQHY-SZMVWBNQSA-N 2 2 318.465 1.474 20 30 DDEDLP C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000517231815 421602558 /nfs/dbraw/zinc/60/25/58/421602558.db2.gz QMKUHNPIOPGQHY-SZMVWBNQSA-N 2 2 318.465 1.474 20 30 DDEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)s1 ZINC000517238364 421603604 /nfs/dbraw/zinc/60/36/04/421603604.db2.gz BCGLGRZSCDUOPL-AWEZNQCLSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)s1 ZINC000517238364 421603608 /nfs/dbraw/zinc/60/36/08/421603608.db2.gz BCGLGRZSCDUOPL-AWEZNQCLSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCC#N)C2)s1 ZINC000517238364 421603611 /nfs/dbraw/zinc/60/36/11/421603611.db2.gz BCGLGRZSCDUOPL-AWEZNQCLSA-N 2 2 320.462 1.450 20 30 DDEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCC#N)C2)s1 ZINC000517238364 421603614 /nfs/dbraw/zinc/60/36/14/421603614.db2.gz BCGLGRZSCDUOPL-AWEZNQCLSA-N 2 2 320.462 1.450 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000584061314 422251921 /nfs/dbraw/zinc/25/19/21/422251921.db2.gz HRUFWRSNJQWOOY-UHFFFAOYSA-N 2 2 317.433 1.762 20 30 DDEDLP C=CC[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000662794680 424770250 /nfs/dbraw/zinc/77/02/50/424770250.db2.gz HOCMXCWEXVOBDF-RHSMWYFYSA-N 2 2 300.406 1.475 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C#N)CCCC3)C2)CC1 ZINC000369265347 277028439 /nfs/dbraw/zinc/02/84/39/277028439.db2.gz FXOYAYJHMHXYAY-AWEZNQCLSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C#N)CCCC3)C2)CC1 ZINC000369265347 277028440 /nfs/dbraw/zinc/02/84/40/277028440.db2.gz FXOYAYJHMHXYAY-AWEZNQCLSA-N 2 2 304.438 1.355 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000536068125 303355216 /nfs/dbraw/zinc/35/52/16/303355216.db2.gz RNEWOLISFIODHN-AWEZNQCLSA-N 2 2 309.373 1.720 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000536068125 303355217 /nfs/dbraw/zinc/35/52/17/303355217.db2.gz RNEWOLISFIODHN-AWEZNQCLSA-N 2 2 309.373 1.720 20 30 DDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491640994 526653548 /nfs/dbraw/zinc/65/35/48/526653548.db2.gz ZNFAUVYUGWJYQV-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491640994 526653554 /nfs/dbraw/zinc/65/35/54/526653554.db2.gz ZNFAUVYUGWJYQV-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347516242 528624622 /nfs/dbraw/zinc/62/46/22/528624622.db2.gz LNVVOWYRZNRMFL-IRXDYDNUSA-N 2 2 320.481 1.802 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347516242 528624627 /nfs/dbraw/zinc/62/46/27/528624627.db2.gz LNVVOWYRZNRMFL-IRXDYDNUSA-N 2 2 320.481 1.802 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980220533 696711583 /nfs/dbraw/zinc/71/15/83/696711583.db2.gz VLBDMYSJYMUJNJ-RRFJBIMHSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980220533 696711584 /nfs/dbraw/zinc/71/15/84/696711584.db2.gz VLBDMYSJYMUJNJ-RRFJBIMHSA-N 2 2 302.422 1.663 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738029 695722548 /nfs/dbraw/zinc/72/25/48/695722548.db2.gz CEHCHIOAGIKVQZ-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738029 695722550 /nfs/dbraw/zinc/72/25/50/695722550.db2.gz CEHCHIOAGIKVQZ-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043925 695784027 /nfs/dbraw/zinc/78/40/27/695784027.db2.gz WDHACHQUZDOPAK-ZBFHGGJFSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043925 695784028 /nfs/dbraw/zinc/78/40/28/695784028.db2.gz WDHACHQUZDOPAK-ZBFHGGJFSA-N 2 2 314.433 1.214 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000104167876 696618904 /nfs/dbraw/zinc/61/89/04/696618904.db2.gz FIJHIQSOWLGDQM-OAHLLOKOSA-N 2 2 310.417 1.759 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980180043 696701721 /nfs/dbraw/zinc/70/17/21/696701721.db2.gz ASAFMSOJGULVJK-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980180043 696701723 /nfs/dbraw/zinc/70/17/23/696701723.db2.gz ASAFMSOJGULVJK-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397620 697122235 /nfs/dbraw/zinc/12/22/35/697122235.db2.gz QHJYWLAKAQXHLO-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000982397620 697122237 /nfs/dbraw/zinc/12/22/37/697122237.db2.gz QHJYWLAKAQXHLO-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987071598 697984930 /nfs/dbraw/zinc/98/49/30/697984930.db2.gz XTLHSBPCODKUPT-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989672313 698719367 /nfs/dbraw/zinc/71/93/67/698719367.db2.gz IPQDCOXQOGIANM-ZIAGYGMSSA-N 2 2 311.389 1.646 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000750887689 700254235 /nfs/dbraw/zinc/25/42/35/700254235.db2.gz VVAICLAWDPZAJP-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991118124 699238560 /nfs/dbraw/zinc/23/85/60/699238560.db2.gz MGJHLTRVOGTDNZ-DEICHXMPSA-N 2 2 312.417 1.650 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991118124 699238563 /nfs/dbraw/zinc/23/85/63/699238563.db2.gz MGJHLTRVOGTDNZ-DEICHXMPSA-N 2 2 312.417 1.650 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991443115 699325589 /nfs/dbraw/zinc/32/55/89/699325589.db2.gz BHQCCUXQPFSYMF-IIDMSEBBSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991443115 699325593 /nfs/dbraw/zinc/32/55/93/699325593.db2.gz BHQCCUXQPFSYMF-IIDMSEBBSA-N 2 2 314.433 1.745 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000791025712 699607533 /nfs/dbraw/zinc/60/75/33/699607533.db2.gz FBDWKERYXFHHAD-GJZGRUSLSA-N 2 2 306.454 1.256 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000791025712 699607535 /nfs/dbraw/zinc/60/75/35/699607535.db2.gz FBDWKERYXFHHAD-GJZGRUSLSA-N 2 2 306.454 1.256 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000814161938 702488351 /nfs/dbraw/zinc/48/83/51/702488351.db2.gz GSCODEOXBBJXEH-RDJZCZTQSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000814161938 702488353 /nfs/dbraw/zinc/48/83/53/702488353.db2.gz GSCODEOXBBJXEH-RDJZCZTQSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000814161938 702488355 /nfs/dbraw/zinc/48/83/55/702488355.db2.gz GSCODEOXBBJXEH-RDJZCZTQSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000814161938 702488358 /nfs/dbraw/zinc/48/83/58/702488358.db2.gz GSCODEOXBBJXEH-RDJZCZTQSA-N 2 2 303.450 1.417 20 30 DDEDLP C(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000848419677 703548335 /nfs/dbraw/zinc/54/83/35/703548335.db2.gz BBMKTDHFWAADMM-UHFFFAOYSA-N 2 2 313.405 1.734 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820654331 704315402 /nfs/dbraw/zinc/31/54/02/704315402.db2.gz JMOMBDIHHGSHNN-DOTOQJQBSA-N 2 2 320.481 1.598 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820654331 704315404 /nfs/dbraw/zinc/31/54/04/704315404.db2.gz JMOMBDIHHGSHNN-DOTOQJQBSA-N 2 2 320.481 1.598 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000883131132 707935641 /nfs/dbraw/zinc/93/56/41/707935641.db2.gz IRVDQSAXLPRIKJ-UHFFFAOYSA-N 2 2 317.433 1.656 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000883131132 707935642 /nfs/dbraw/zinc/93/56/42/707935642.db2.gz IRVDQSAXLPRIKJ-UHFFFAOYSA-N 2 2 317.433 1.656 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000884184202 708177246 /nfs/dbraw/zinc/17/72/46/708177246.db2.gz JBVCTXKPAASORF-TXKKKEFDSA-N 2 2 321.384 1.950 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026298 709193757 /nfs/dbraw/zinc/19/37/57/709193757.db2.gz VCJFARZTLYIXEJ-HOCLYGCPSA-N 2 2 317.437 1.224 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026298 709193760 /nfs/dbraw/zinc/19/37/60/709193760.db2.gz VCJFARZTLYIXEJ-HOCLYGCPSA-N 2 2 317.437 1.224 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900597934 709669574 /nfs/dbraw/zinc/66/95/74/709669574.db2.gz CMRLURLVLCPYDR-FOWTUZBSSA-N 2 2 321.465 1.422 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806616 711286400 /nfs/dbraw/zinc/28/64/00/711286400.db2.gz YLQWZXHMIDVWMO-JFIYKMOQSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806616 711286404 /nfs/dbraw/zinc/28/64/04/711286404.db2.gz YLQWZXHMIDVWMO-JFIYKMOQSA-N 2 2 315.417 1.501 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000928653498 713252788 /nfs/dbraw/zinc/25/27/88/713252788.db2.gz OLUXZAHODUKWML-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000928653498 713252790 /nfs/dbraw/zinc/25/27/90/713252790.db2.gz OLUXZAHODUKWML-IRXDYDNUSA-N 2 2 321.465 1.090 20 30 DDEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)s1 ZINC000915974262 713437077 /nfs/dbraw/zinc/43/70/77/713437077.db2.gz QXUWTYSJPLVARA-UHFFFAOYSA-N 2 2 322.478 1.994 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000931730957 714171075 /nfs/dbraw/zinc/17/10/75/714171075.db2.gz UGGUUDNZNHAWKT-BBWFWOEESA-N 2 2 315.417 1.466 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000931730957 714171078 /nfs/dbraw/zinc/17/10/78/714171078.db2.gz UGGUUDNZNHAWKT-BBWFWOEESA-N 2 2 315.417 1.466 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000931730957 714171080 /nfs/dbraw/zinc/17/10/80/714171080.db2.gz UGGUUDNZNHAWKT-BBWFWOEESA-N 2 2 315.417 1.466 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000931730957 714171083 /nfs/dbraw/zinc/17/10/83/714171083.db2.gz UGGUUDNZNHAWKT-BBWFWOEESA-N 2 2 315.417 1.466 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901486 714692157 /nfs/dbraw/zinc/69/21/57/714692157.db2.gz JYUUEIGFRPNJHG-CABCVRRESA-N 2 2 308.470 1.847 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901486 714692158 /nfs/dbraw/zinc/69/21/58/714692158.db2.gz JYUUEIGFRPNJHG-CABCVRRESA-N 2 2 308.470 1.847 20 30 DDEDLP Cc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925995698 714984758 /nfs/dbraw/zinc/98/47/58/714984758.db2.gz MWMXFCXLPMRWRN-UHFFFAOYSA-N 2 2 301.394 1.411 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC(=C)C)C2)CC1 ZINC000957422321 715895987 /nfs/dbraw/zinc/89/59/87/715895987.db2.gz TVWQAPCLOKNPPJ-UHFFFAOYSA-N 2 2 303.450 1.440 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960648606 716645958 /nfs/dbraw/zinc/64/59/58/716645958.db2.gz NRXGCCOUSNNDFL-ARLBYUKCSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960648606 716645962 /nfs/dbraw/zinc/64/59/62/716645962.db2.gz NRXGCCOUSNNDFL-ARLBYUKCSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960655037 716648312 /nfs/dbraw/zinc/64/83/12/716648312.db2.gz HCLNXPDPSJLFGF-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960655037 716648315 /nfs/dbraw/zinc/64/83/15/716648315.db2.gz HCLNXPDPSJLFGF-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283541 716895689 /nfs/dbraw/zinc/89/56/89/716895689.db2.gz DVVMJAWERYORHQ-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283541 716895693 /nfs/dbraw/zinc/89/56/93/716895693.db2.gz DVVMJAWERYORHQ-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042140 717084851 /nfs/dbraw/zinc/08/48/51/717084851.db2.gz XLKAFJLPVXSWKC-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042140 717084855 /nfs/dbraw/zinc/08/48/55/717084855.db2.gz XLKAFJLPVXSWKC-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942064430 717459808 /nfs/dbraw/zinc/45/98/08/717459808.db2.gz RRQYZESXQKGMOQ-HOCLYGCPSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942064430 717459809 /nfs/dbraw/zinc/45/98/09/717459809.db2.gz RRQYZESXQKGMOQ-HOCLYGCPSA-N 2 2 314.433 1.222 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181189 717530567 /nfs/dbraw/zinc/53/05/67/717530567.db2.gz QSZWLQUAVNENKM-DZGCQCFKSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181189 717530570 /nfs/dbraw/zinc/53/05/70/717530570.db2.gz QSZWLQUAVNENKM-DZGCQCFKSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911503 718942209 /nfs/dbraw/zinc/94/22/09/718942209.db2.gz XRZWUTPULZRKMO-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911503 718942212 /nfs/dbraw/zinc/94/22/12/718942212.db2.gz XRZWUTPULZRKMO-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996794 720591820 /nfs/dbraw/zinc/59/18/20/720591820.db2.gz KCPIYDKLQMHJSP-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(=C)C)C1 ZINC000950534121 720672834 /nfs/dbraw/zinc/67/28/34/720672834.db2.gz SQOZYWXXBMROQR-KRWDZBQOSA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(=C)C)C1 ZINC000950534121 720672835 /nfs/dbraw/zinc/67/28/35/720672835.db2.gz SQOZYWXXBMROQR-KRWDZBQOSA-N 2 2 303.450 1.583 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000951366048 721003970 /nfs/dbraw/zinc/00/39/70/721003970.db2.gz VCYKEIMPHPQRHY-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000951366048 721003973 /nfs/dbraw/zinc/00/39/73/721003973.db2.gz VCYKEIMPHPQRHY-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208188698 732415360 /nfs/dbraw/zinc/41/53/60/732415360.db2.gz MYAVUAUYJHZXTA-UHFFFAOYSA-N 2 2 307.438 1.887 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504706 732446562 /nfs/dbraw/zinc/44/65/62/732446562.db2.gz SUIUVCPDAJGCKY-BFYDXBDKSA-N 2 2 321.465 1.443 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504706 732446568 /nfs/dbraw/zinc/44/65/68/732446568.db2.gz SUIUVCPDAJGCKY-BFYDXBDKSA-N 2 2 321.465 1.443 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001020752663 732656830 /nfs/dbraw/zinc/65/68/30/732656830.db2.gz WCNXGMOFTCTMOT-SHTZXODSSA-N 2 2 312.417 1.998 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020980443 732833841 /nfs/dbraw/zinc/83/38/41/732833841.db2.gz ILVXWVLLCYGHFW-WKILWMFISA-N 2 2 323.400 1.569 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271589 732882661 /nfs/dbraw/zinc/88/26/61/732882661.db2.gz ZJPWQGPUQLOPMK-ZIAGYGMSSA-N 2 2 302.422 1.586 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348506 733260822 /nfs/dbraw/zinc/26/08/22/733260822.db2.gz JZYQYULCXHLIKR-OAHLLOKOSA-N 2 2 302.422 1.734 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250502 733371242 /nfs/dbraw/zinc/37/12/42/733371242.db2.gz OIHCHLOUONAEOX-RDJZCZTQSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250502 733371246 /nfs/dbraw/zinc/37/12/46/733371246.db2.gz OIHCHLOUONAEOX-RDJZCZTQSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644159 733397583 /nfs/dbraw/zinc/39/75/83/733397583.db2.gz DWLUDCQGAIMTAE-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121256006 782427044 /nfs/dbraw/zinc/42/70/44/782427044.db2.gz YIRMVZTVYUQVRR-BSGOTLCWSA-N 2 2 312.417 1.554 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121256006 782427050 /nfs/dbraw/zinc/42/70/50/782427050.db2.gz YIRMVZTVYUQVRR-BSGOTLCWSA-N 2 2 312.417 1.554 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022976904 734978510 /nfs/dbraw/zinc/97/85/10/734978510.db2.gz MRUDGFKDLIHYOS-IYBDPMFKSA-N 2 2 323.400 1.271 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024486563 735864005 /nfs/dbraw/zinc/86/40/05/735864005.db2.gz BIYQQSUAYDIFLU-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024486563 735864008 /nfs/dbraw/zinc/86/40/08/735864008.db2.gz BIYQQSUAYDIFLU-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC1 ZINC001024486563 735864010 /nfs/dbraw/zinc/86/40/10/735864010.db2.gz BIYQQSUAYDIFLU-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC1 ZINC001024486563 735864014 /nfs/dbraw/zinc/86/40/14/735864014.db2.gz BIYQQSUAYDIFLU-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027980814 738902635 /nfs/dbraw/zinc/90/26/35/738902635.db2.gz DCRZGFKPXGPFTK-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027980814 738902638 /nfs/dbraw/zinc/90/26/38/738902638.db2.gz DCRZGFKPXGPFTK-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001121457312 782516040 /nfs/dbraw/zinc/51/60/40/782516040.db2.gz CANLRWXZBCTNLT-UHFFFAOYSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274613 736402874 /nfs/dbraw/zinc/40/28/74/736402874.db2.gz LBXCZUQNOQPKKF-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274613 736402877 /nfs/dbraw/zinc/40/28/77/736402877.db2.gz LBXCZUQNOQPKKF-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018440 738939119 /nfs/dbraw/zinc/93/91/19/738939119.db2.gz UFTILHNJLBLTNR-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018440 738939124 /nfs/dbraw/zinc/93/91/24/738939124.db2.gz UFTILHNJLBLTNR-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469556 738323910 /nfs/dbraw/zinc/32/39/10/738323910.db2.gz FXOXCBTWCIDYTA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469556 738323911 /nfs/dbraw/zinc/32/39/11/738323911.db2.gz FXOXCBTWCIDYTA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028129489 739071706 /nfs/dbraw/zinc/07/17/06/739071706.db2.gz DXJGIZQULGEYLT-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028129489 739071710 /nfs/dbraw/zinc/07/17/10/739071710.db2.gz DXJGIZQULGEYLT-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139355 739082047 /nfs/dbraw/zinc/08/20/47/739082047.db2.gz MIRBBVXVRVYLOA-AWEZNQCLSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139355 739082052 /nfs/dbraw/zinc/08/20/52/739082052.db2.gz MIRBBVXVRVYLOA-AWEZNQCLSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997980472 751438651 /nfs/dbraw/zinc/43/86/51/751438651.db2.gz YHMOHFZFHPFKCE-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997980472 751438655 /nfs/dbraw/zinc/43/86/55/751438655.db2.gz YHMOHFZFHPFKCE-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997980472 751438660 /nfs/dbraw/zinc/43/86/60/751438660.db2.gz YHMOHFZFHPFKCE-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997980472 751438665 /nfs/dbraw/zinc/43/86/65/751438665.db2.gz YHMOHFZFHPFKCE-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644253 739843263 /nfs/dbraw/zinc/84/32/63/739843263.db2.gz XSRMXKSCFNBVEG-UONOGXRCSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644253 739843267 /nfs/dbraw/zinc/84/32/67/739843267.db2.gz XSRMXKSCFNBVEG-UONOGXRCSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644253 739843273 /nfs/dbraw/zinc/84/32/73/739843273.db2.gz XSRMXKSCFNBVEG-UONOGXRCSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644253 739843277 /nfs/dbraw/zinc/84/32/77/739843277.db2.gz XSRMXKSCFNBVEG-UONOGXRCSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810938 740069125 /nfs/dbraw/zinc/06/91/25/740069125.db2.gz FNSCWTFWDJJBMG-RBSFLKMASA-N 2 2 302.422 1.538 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810938 740069128 /nfs/dbraw/zinc/06/91/28/740069128.db2.gz FNSCWTFWDJJBMG-RBSFLKMASA-N 2 2 302.422 1.538 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028925879 740178278 /nfs/dbraw/zinc/17/82/78/740178278.db2.gz CIHFZBIQSUYBOI-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028925879 740178279 /nfs/dbraw/zinc/17/82/79/740178279.db2.gz CIHFZBIQSUYBOI-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC=C ZINC001029342420 740582287 /nfs/dbraw/zinc/58/22/87/740582287.db2.gz NGDCYGZKXHCNEZ-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC=C ZINC001029342420 740582288 /nfs/dbraw/zinc/58/22/88/740582288.db2.gz NGDCYGZKXHCNEZ-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001029342420 740582290 /nfs/dbraw/zinc/58/22/90/740582290.db2.gz NGDCYGZKXHCNEZ-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001029342420 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ZINC001274567252 852399916 /nfs/dbraw/zinc/39/99/16/852399916.db2.gz YRRDWLXQBKPADB-AWEZNQCLSA-N 2 2 320.437 1.108 20 30 DDEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274567252 852399927 /nfs/dbraw/zinc/39/99/27/852399927.db2.gz YRRDWLXQBKPADB-AWEZNQCLSA-N 2 2 320.437 1.108 20 30 DDEDLP CC#CC[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001275232962 852916627 /nfs/dbraw/zinc/91/66/27/852916627.db2.gz ITZJZQFNARIMQX-UHFFFAOYSA-N 2 2 310.401 1.764 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275865448 853886815 /nfs/dbraw/zinc/88/68/15/853886815.db2.gz KLBXBILGSNMMKM-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275865448 853886818 /nfs/dbraw/zinc/88/68/18/853886818.db2.gz KLBXBILGSNMMKM-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328003729 862627730 /nfs/dbraw/zinc/62/77/30/862627730.db2.gz FJGXXKHATHNQHJ-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560940 856977536 /nfs/dbraw/zinc/97/75/36/856977536.db2.gz CCKRUIHOJVRAEK-HZPDHXFCSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560940 856977542 /nfs/dbraw/zinc/97/75/42/856977542.db2.gz CCKRUIHOJVRAEK-HZPDHXFCSA-N 2 2 318.421 1.601 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732587 863181770 /nfs/dbraw/zinc/18/17/70/863181770.db2.gz IRDNPKUHHFPYLI-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732587 863181773 /nfs/dbraw/zinc/18/17/73/863181773.db2.gz IRDNPKUHHFPYLI-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001329829226 863881871 /nfs/dbraw/zinc/88/18/71/863881871.db2.gz MWYQNAYORITNMW-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001330403628 864313537 /nfs/dbraw/zinc/31/35/37/864313537.db2.gz JVAHGDZTQJFGGZ-HUUCEWRRSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172062 864469963 /nfs/dbraw/zinc/46/99/63/864469963.db2.gz WWMCQNUTWKFYRV-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158172062 864469967 /nfs/dbraw/zinc/46/99/67/864469967.db2.gz WWMCQNUTWKFYRV-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001330849711 864651541 /nfs/dbraw/zinc/65/15/41/864651541.db2.gz DVRBCHQFJUOQEZ-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159972258 865622974 /nfs/dbraw/zinc/62/29/74/865622974.db2.gz KNRKHYZCLDPHCD-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159972258 865622970 /nfs/dbraw/zinc/62/29/70/865622970.db2.gz KNRKHYZCLDPHCD-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@@H]3CCCOC3)cc2F)CC1 ZINC001320630351 866901036 /nfs/dbraw/zinc/90/10/36/866901036.db2.gz SLKTUACWVYHNGG-OAHLLOKOSA-N 2 2 320.412 1.680 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336716866 869107247 /nfs/dbraw/zinc/10/72/47/869107247.db2.gz XQUKUSFKLXDWBF-INIZCTEOSA-N 2 2 300.406 1.961 20 30 DDEDLP C[N@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336716866 869107252 /nfs/dbraw/zinc/10/72/52/869107252.db2.gz XQUKUSFKLXDWBF-INIZCTEOSA-N 2 2 300.406 1.961 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042451 870154274 /nfs/dbraw/zinc/15/42/74/870154274.db2.gz FMBREBMFRAYJHS-MRXNPFEDSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042451 870154282 /nfs/dbraw/zinc/15/42/82/870154282.db2.gz FMBREBMFRAYJHS-MRXNPFEDSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816487 870776185 /nfs/dbraw/zinc/77/61/85/870776185.db2.gz XXFWONBACVJPKH-HZPDHXFCSA-N 2 2 314.433 1.704 20 30 DDEDLP C=C(C)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001319363403 872597719 /nfs/dbraw/zinc/59/77/19/872597719.db2.gz ABVQIGLKFOEPQD-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453378 874157769 /nfs/dbraw/zinc/15/77/69/874157769.db2.gz FYWYOPXCEQITSU-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210643512 875468279 /nfs/dbraw/zinc/46/82/79/875468279.db2.gz JRICMXKGVGKNNE-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293704 875746249 /nfs/dbraw/zinc/74/62/49/875746249.db2.gz NRKZGGHWVMMLEE-IAGOWNOFSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917248 876505563 /nfs/dbraw/zinc/50/55/63/876505563.db2.gz RRZLCPPMJBBNTN-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCCC[C@H]([NH3+])c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001217757469 877313716 /nfs/dbraw/zinc/31/37/16/877313716.db2.gz MODWNDYBNDSWGR-IHRRRGAJSA-N 2 2 306.410 1.525 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218205556 877417706 /nfs/dbraw/zinc/41/77/06/877417706.db2.gz YKRLWVZZEXLMLG-PBHICJAKSA-N 3 2 300.406 1.100 20 30 DDEDLP COCC#CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229386103 883953687 /nfs/dbraw/zinc/95/36/87/883953687.db2.gz XTLSRASUAGGMDC-HNNXBMFYSA-N 2 2 318.421 1.065 20 30 DDEDLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC#Cc1ccccc1 ZINC001277986658 889261174 /nfs/dbraw/zinc/26/11/74/889261174.db2.gz BHFGVXYIKZXHTG-INIZCTEOSA-N 2 2 324.428 1.451 20 30 DDEDLP N#Cc1cc(Br)ccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128480 893834979 /nfs/dbraw/zinc/83/49/79/893834979.db2.gz DDJMUMJAWKRRFK-SECBINFHSA-N 2 2 322.166 1.199 20 30 DDEDLP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001366538135 893933049 /nfs/dbraw/zinc/93/30/49/893933049.db2.gz BSQBPOOOUGHDAB-KRWDZBQOSA-N 2 2 316.449 1.692 20 30 DDEDLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001366538135 893933062 /nfs/dbraw/zinc/93/30/62/893933062.db2.gz BSQBPOOOUGHDAB-KRWDZBQOSA-N 2 2 316.449 1.692 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252584752 895292681 /nfs/dbraw/zinc/29/26/81/895292681.db2.gz FFBDVXSCBIENIP-BZSNNMDCSA-N 2 2 304.434 1.803 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001252584752 895292697 /nfs/dbraw/zinc/29/26/97/895292697.db2.gz FFBDVXSCBIENIP-BZSNNMDCSA-N 2 2 304.434 1.803 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1CC ZINC001278975882 897631949 /nfs/dbraw/zinc/63/19/49/897631949.db2.gz INMOJFZBGTYZSB-KRWDZBQOSA-N 2 2 310.401 1.526 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001263820526 900735644 /nfs/dbraw/zinc/73/56/44/900735644.db2.gz ALRJRTXZQJYKPA-IAGOWNOFSA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001263820526 900735653 /nfs/dbraw/zinc/73/56/53/900735653.db2.gz ALRJRTXZQJYKPA-IAGOWNOFSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001279104431 901150225 /nfs/dbraw/zinc/15/02/25/901150225.db2.gz DZSGKVHSNKXCRG-CQSZACIVSA-N 2 2 302.422 1.203 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601215 903502717 /nfs/dbraw/zinc/50/27/17/903502717.db2.gz OUGWELGFFVNBBT-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601215 903502730 /nfs/dbraw/zinc/50/27/30/903502730.db2.gz OUGWELGFFVNBBT-MRXNPFEDSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001280488202 903729885 /nfs/dbraw/zinc/72/98/85/903729885.db2.gz OFOVEMOPUVOHDN-AWEZNQCLSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001282861430 906114810 /nfs/dbraw/zinc/11/48/10/906114810.db2.gz MXRSJXYLNZJLEC-PHZGNYQRSA-N 2 2 316.449 1.797 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001282861430 906114820 /nfs/dbraw/zinc/11/48/20/906114820.db2.gz MXRSJXYLNZJLEC-PHZGNYQRSA-N 2 2 316.449 1.797 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001393083738 906138194 /nfs/dbraw/zinc/13/81/94/906138194.db2.gz KGMNOAKULKTYEE-AWEZNQCLSA-N 2 2 310.829 1.969 20 30 DDEDLP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001283507056 907490563 /nfs/dbraw/zinc/49/05/63/907490563.db2.gz AZCWPVHGEAUQIV-MRXNPFEDSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284025364 908335263 /nfs/dbraw/zinc/33/52/63/908335263.db2.gz JINXTEZZHQXVRA-CABCVRRESA-N 2 2 320.437 1.134 20 30 DDEDLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001396991671 914905707 /nfs/dbraw/zinc/90/57/07/914905707.db2.gz IVLVPUSXLGKWGA-KRWDZBQOSA-N 2 2 314.433 1.543 20 30 DDEDLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001396991671 914905719 /nfs/dbraw/zinc/90/57/19/914905719.db2.gz IVLVPUSXLGKWGA-KRWDZBQOSA-N 2 2 314.433 1.543 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130141 915054196 /nfs/dbraw/zinc/05/41/96/915054196.db2.gz XZUBZMHJHBJCRP-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130141 915054214 /nfs/dbraw/zinc/05/42/14/915054214.db2.gz XZUBZMHJHBJCRP-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174310641 198317852 /nfs/dbraw/zinc/31/78/52/198317852.db2.gz VVBXCFXPNLLTLZ-UHFFFAOYSA-N 2 2 311.389 1.588 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151152096 354181005 /nfs/dbraw/zinc/18/10/05/354181005.db2.gz RBZOPESDCQVAOO-HNNXBMFYSA-N 2 2 315.421 1.212 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184741 355528763 /nfs/dbraw/zinc/52/87/63/355528763.db2.gz OOCJSDHYZLLVJU-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184741 355528767 /nfs/dbraw/zinc/52/87/67/355528767.db2.gz OOCJSDHYZLLVJU-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CCF)CC2)cc1 ZINC000593684977 355966601 /nfs/dbraw/zinc/96/66/01/355966601.db2.gz CRHQSHZFACTSQZ-KRWDZBQOSA-N 2 2 305.397 1.833 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505690 356522812 /nfs/dbraw/zinc/52/28/12/356522812.db2.gz XDHGHJOTSILWAQ-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505690 356522816 /nfs/dbraw/zinc/52/28/16/356522816.db2.gz XDHGHJOTSILWAQ-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505690 356522818 /nfs/dbraw/zinc/52/28/18/356522818.db2.gz XDHGHJOTSILWAQ-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505690 356522822 /nfs/dbraw/zinc/52/28/22/356522822.db2.gz XDHGHJOTSILWAQ-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065169 356758572 /nfs/dbraw/zinc/75/85/72/356758572.db2.gz FIOJNXQTKJMBCA-IRXDYDNUSA-N 2 2 317.433 1.566 20 30 DDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065169 356758576 /nfs/dbraw/zinc/75/85/76/356758576.db2.gz FIOJNXQTKJMBCA-IRXDYDNUSA-N 2 2 317.433 1.566 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CC#N)CC2)CC1 ZINC000597790827 357331029 /nfs/dbraw/zinc/33/10/29/357331029.db2.gz PDFXRSYNVVZOHJ-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CC#N)CC2)CC1 ZINC000597790827 357331034 /nfs/dbraw/zinc/33/10/34/357331034.db2.gz PDFXRSYNVVZOHJ-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000600733520 358299973 /nfs/dbraw/zinc/29/99/73/358299973.db2.gz JYJFEECHJAQPLZ-SJORKVTESA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CCOCC1 ZINC000600733520 358299975 /nfs/dbraw/zinc/29/99/75/358299975.db2.gz JYJFEECHJAQPLZ-SJORKVTESA-N 2 2 321.465 1.664 20 30 DDEDLP C[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000602861703 359246316 /nfs/dbraw/zinc/24/63/16/359246316.db2.gz HSQZNBQQVANMQP-OAHLLOKOSA-N 2 2 300.406 1.223 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330178462 223083774 /nfs/dbraw/zinc/08/37/74/223083774.db2.gz DSBBHIZJIKRKAM-ZDUSSCGKSA-N 2 2 314.393 1.715 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]Cc1cn2c([nH+]1)CCCC2 ZINC000330197792 223086936 /nfs/dbraw/zinc/08/69/36/223086936.db2.gz SGWMZRIOMKWMBU-GFCCVEGCSA-N 2 2 314.393 1.435 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000292935034 223316460 /nfs/dbraw/zinc/31/64/60/223316460.db2.gz HGUUKPAVGPKVGN-MRXNPFEDSA-N 2 2 311.385 1.660 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000292935034 223316463 /nfs/dbraw/zinc/31/64/63/223316463.db2.gz HGUUKPAVGPKVGN-MRXNPFEDSA-N 2 2 311.385 1.660 20 30 DDEDLP CCN(CC)C(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000104170704 407348651 /nfs/dbraw/zinc/34/86/51/407348651.db2.gz YGQDIWYFVYYUPU-UHFFFAOYSA-N 2 2 321.444 1.604 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000107369298 407373922 /nfs/dbraw/zinc/37/39/22/407373922.db2.gz IHWCIFGLTLRHTI-GOSISDBHSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000107369298 407373924 /nfs/dbraw/zinc/37/39/24/407373924.db2.gz IHWCIFGLTLRHTI-GOSISDBHSA-N 2 2 316.424 1.909 20 30 DDEDLP COc1ccc(CCNC(=[NH2+])NCCn2cc[nH+]c2)cc1OC ZINC000170906893 407550097 /nfs/dbraw/zinc/55/00/97/407550097.db2.gz LWQHQQKRBPUIOM-UHFFFAOYSA-N 2 2 317.393 1.047 20 30 DDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000270701195 408644049 /nfs/dbraw/zinc/64/40/49/408644049.db2.gz IHMQDPJEINMHQO-UHFFFAOYSA-N 2 2 301.394 1.985 20 30 DDEDLP C#CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162584367 408716429 /nfs/dbraw/zinc/71/64/29/408716429.db2.gz VWRTUQYXEJUDEL-SJORKVTESA-N 2 2 320.481 1.598 20 30 DDEDLP C#CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162584367 408716433 /nfs/dbraw/zinc/71/64/33/408716433.db2.gz VWRTUQYXEJUDEL-SJORKVTESA-N 2 2 320.481 1.598 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000296277579 409488189 /nfs/dbraw/zinc/48/81/89/409488189.db2.gz DOHPQISOMRZDFL-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000296277579 409488192 /nfs/dbraw/zinc/48/81/92/409488192.db2.gz DOHPQISOMRZDFL-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571901 409494534 /nfs/dbraw/zinc/49/45/34/409494534.db2.gz SNGNPXYLMNLWJT-HOCLYGCPSA-N 2 2 310.405 1.260 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571901 409494536 /nfs/dbraw/zinc/49/45/36/409494536.db2.gz SNGNPXYLMNLWJT-HOCLYGCPSA-N 2 2 310.405 1.260 20 30 DDEDLP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339194406 410069897 /nfs/dbraw/zinc/06/98/97/410069897.db2.gz NCEPHACQLKTQQE-DOTOQJQBSA-N 2 2 309.454 1.738 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068578 /nfs/dbraw/zinc/06/85/78/411068578.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068581 /nfs/dbraw/zinc/06/85/81/411068581.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC#CC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068584 /nfs/dbraw/zinc/06/85/84/411068584.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#CC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068585 /nfs/dbraw/zinc/06/85/85/411068585.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 2 308.466 1.988 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247544818 222229924 /nfs/dbraw/zinc/22/99/24/222229924.db2.gz KEJHWUIERQGXDY-BFYDXBDKSA-N 2 2 317.437 1.820 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247544818 222229927 /nfs/dbraw/zinc/22/99/27/222229927.db2.gz KEJHWUIERQGXDY-BFYDXBDKSA-N 2 2 317.437 1.820 20 30 DDEDLP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261944838 222262618 /nfs/dbraw/zinc/26/26/18/222262618.db2.gz FMDGRJZXKDUEKR-KKUMJFAQSA-N 3 2 306.458 1.292 20 30 DDEDLP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)CCO1 ZINC000262464308 222282021 /nfs/dbraw/zinc/28/20/21/222282021.db2.gz NENDOOXSTCFINO-LBPRGKRZSA-N 2 2 308.451 1.142 20 30 DDEDLP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCc3sccc3C2)CCO1 ZINC000262464308 222282025 /nfs/dbraw/zinc/28/20/25/222282025.db2.gz NENDOOXSTCFINO-LBPRGKRZSA-N 2 2 308.451 1.142 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000491691556 421201760 /nfs/dbraw/zinc/20/17/60/421201760.db2.gz FDUSWBCWYDIXIM-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000491691556 421201762 /nfs/dbraw/zinc/20/17/62/421201762.db2.gz FDUSWBCWYDIXIM-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000516922199 421578201 /nfs/dbraw/zinc/57/82/01/421578201.db2.gz OEPCQSJQRSSZCS-SJLPKXTDSA-N 2 2 316.449 1.854 20 30 DDEDLP C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000516922199 421578204 /nfs/dbraw/zinc/57/82/04/421578204.db2.gz OEPCQSJQRSSZCS-SJLPKXTDSA-N 2 2 316.449 1.854 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000518759451 421665189 /nfs/dbraw/zinc/66/51/89/421665189.db2.gz VJCKTCAQPCXMSY-IAGOWNOFSA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000518759451 421665193 /nfs/dbraw/zinc/66/51/93/421665193.db2.gz VJCKTCAQPCXMSY-IAGOWNOFSA-N 2 2 304.434 1.839 20 30 DDEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000559255256 421831753 /nfs/dbraw/zinc/83/17/53/421831753.db2.gz RVOIEJTXVPGUON-UHFFFAOYSA-N 2 2 312.421 1.953 20 30 DDEDLP CC#CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194015 422317424 /nfs/dbraw/zinc/31/74/24/422317424.db2.gz QFBRFJIYUDSSJP-UHFFFAOYSA-N 2 2 300.406 1.966 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664018822 424342595 /nfs/dbraw/zinc/34/25/95/424342595.db2.gz CVBDQXGNCYUUFU-HUUCEWRRSA-N 2 2 324.469 1.045 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664018822 424342607 /nfs/dbraw/zinc/34/26/07/424342607.db2.gz CVBDQXGNCYUUFU-HUUCEWRRSA-N 2 2 324.469 1.045 20 30 DDEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc12 ZINC000518187542 268318378 /nfs/dbraw/zinc/31/83/78/268318378.db2.gz AEUYSJCKCYKZSO-MRXNPFEDSA-N 2 2 320.356 1.649 20 30 DDEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc12 ZINC000518187542 268318379 /nfs/dbraw/zinc/31/83/79/268318379.db2.gz AEUYSJCKCYKZSO-MRXNPFEDSA-N 2 2 320.356 1.649 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C#N)CCCC3)CC2)CC1 ZINC000050800607 277027032 /nfs/dbraw/zinc/02/70/32/277027032.db2.gz VFFIYXJGCDLRKJ-UHFFFAOYSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCCCC3)C2)CC1 ZINC000369273997 277027697 /nfs/dbraw/zinc/02/76/97/277027697.db2.gz LPSPARPOWZYUDT-OAHLLOKOSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C#N)CCCCC3)C2)CC1 ZINC000369273997 277027700 /nfs/dbraw/zinc/02/77/00/277027700.db2.gz LPSPARPOWZYUDT-OAHLLOKOSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H]1CN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000262471620 278627535 /nfs/dbraw/zinc/62/75/35/278627535.db2.gz PCMVRVASWFBBPD-HUUCEWRRSA-N 2 2 320.437 1.842 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022909 /nfs/dbraw/zinc/02/29/09/308022909.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022910 /nfs/dbraw/zinc/02/29/10/308022910.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 2 2 305.422 1.490 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022912 /nfs/dbraw/zinc/02/29/12/308022912.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 2 2 305.422 1.490 20 30 DDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000562991327 333021098 /nfs/dbraw/zinc/02/10/98/333021098.db2.gz OTKGABZKTLFTTE-MRXNPFEDSA-N 2 2 313.405 1.168 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289426768 334165195 /nfs/dbraw/zinc/16/51/95/334165195.db2.gz RFSWVUKBAHDKEF-AEFFLSMTSA-N 2 2 314.433 1.784 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289426768 334165197 /nfs/dbraw/zinc/16/51/97/334165197.db2.gz RFSWVUKBAHDKEF-AEFFLSMTSA-N 2 2 314.433 1.784 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530335656 340788453 /nfs/dbraw/zinc/78/84/53/340788453.db2.gz BBCSSGUTKMIQHS-LBPRGKRZSA-N 2 2 301.394 1.540 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000564411676 484337733 /nfs/dbraw/zinc/33/77/33/484337733.db2.gz WOZMAKASFMZYMQ-LSDHHAIUSA-N 2 2 320.462 1.872 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985213 484929770 /nfs/dbraw/zinc/92/97/70/484929770.db2.gz HSUXOHSXZIEXRT-QGZVFWFLSA-N 2 2 321.465 1.374 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985213 484929772 /nfs/dbraw/zinc/92/97/72/484929772.db2.gz HSUXOHSXZIEXRT-QGZVFWFLSA-N 2 2 321.465 1.374 20 30 DDEDLP C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675556025 485975740 /nfs/dbraw/zinc/97/57/40/485975740.db2.gz GQCQYRVLUGWCQB-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675556025 485975747 /nfs/dbraw/zinc/97/57/47/485975747.db2.gz GQCQYRVLUGWCQB-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834773 486122472 /nfs/dbraw/zinc/12/24/72/486122472.db2.gz NQCFIKMMLVAHPS-CVEARBPZSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834773 486122478 /nfs/dbraw/zinc/12/24/78/486122478.db2.gz NQCFIKMMLVAHPS-CVEARBPZSA-N 2 2 320.481 1.905 20 30 DDEDLP CNC(=O)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000330816316 526398444 /nfs/dbraw/zinc/39/84/44/526398444.db2.gz RCXCGHGVSYXWLF-UHFFFAOYSA-N 2 2 307.398 1.035 20 30 DDEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2 ZINC000424142220 526814470 /nfs/dbraw/zinc/81/44/70/526814470.db2.gz DQMGBSZXLLGPKS-CHWSQXEVSA-N 2 2 317.437 1.633 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000491725631 526987916 /nfs/dbraw/zinc/98/79/16/526987916.db2.gz IERBQVKSYLUFJA-CRAIPNDOSA-N 2 2 301.434 1.715 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158212 695166119 /nfs/dbraw/zinc/16/61/19/695166119.db2.gz LSWJAXRXFLJDSQ-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158212 695166120 /nfs/dbraw/zinc/16/61/20/695166120.db2.gz LSWJAXRXFLJDSQ-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972158212 695166121 /nfs/dbraw/zinc/16/61/21/695166121.db2.gz LSWJAXRXFLJDSQ-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972158212 695166123 /nfs/dbraw/zinc/16/61/23/695166123.db2.gz LSWJAXRXFLJDSQ-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC000974685065 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317.437 1.608 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629088 699051192 /nfs/dbraw/zinc/05/11/92/699051192.db2.gz MIQMLLYLOOZELM-KBPBESRZSA-N 2 2 303.410 1.360 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629088 699051196 /nfs/dbraw/zinc/05/11/96/699051196.db2.gz MIQMLLYLOOZELM-KBPBESRZSA-N 2 2 303.410 1.360 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000823188731 705166572 /nfs/dbraw/zinc/16/65/72/705166572.db2.gz WKVKYERMPITDRQ-UHFFFAOYSA-N 2 2 312.373 1.263 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000823188731 705166574 /nfs/dbraw/zinc/16/65/74/705166574.db2.gz WKVKYERMPITDRQ-UHFFFAOYSA-N 2 2 312.373 1.263 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480658 707064417 /nfs/dbraw/zinc/06/44/17/707064417.db2.gz ULUTUORNLLYCPN-FVQBIDKESA-N 2 2 316.380 1.018 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480658 707064420 /nfs/dbraw/zinc/06/44/20/707064420.db2.gz ULUTUORNLLYCPN-FVQBIDKESA-N 2 2 316.380 1.018 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000876714338 705834252 /nfs/dbraw/zinc/83/42/52/705834252.db2.gz ZUONNBJJCYYBHO-CYBMUJFWSA-N 2 2 313.854 1.862 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](C2CC2)CC1 ZINC000876718144 705836292 /nfs/dbraw/zinc/83/62/92/705836292.db2.gz MDYSRGIBXHKDRT-KRWDZBQOSA-N 2 2 310.401 1.052 20 30 DDEDLP C=C(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303607 706399403 /nfs/dbraw/zinc/39/94/03/706399403.db2.gz JZUBNIKQLJIOAL-CABCVRRESA-N 2 2 320.437 1.042 20 30 DDEDLP C=C(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303607 706399404 /nfs/dbraw/zinc/39/94/04/706399404.db2.gz JZUBNIKQLJIOAL-CABCVRRESA-N 2 2 320.437 1.042 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000836266752 707427752 /nfs/dbraw/zinc/42/77/52/707427752.db2.gz OGFUTPRLMAKVRW-UHFFFAOYSA-N 2 2 318.421 1.461 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903865549 711308303 /nfs/dbraw/zinc/30/83/03/711308303.db2.gz ZYDQSROMYNCQHE-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903865549 711308304 /nfs/dbraw/zinc/30/83/04/711308304.db2.gz ZYDQSROMYNCQHE-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000933770860 714669030 /nfs/dbraw/zinc/66/90/30/714669030.db2.gz UJIGANFKUNLDMW-UHFFFAOYSA-N 2 2 306.435 1.262 20 30 DDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000933770860 714669031 /nfs/dbraw/zinc/66/90/31/714669031.db2.gz UJIGANFKUNLDMW-UHFFFAOYSA-N 2 2 306.435 1.262 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960649506 716646617 /nfs/dbraw/zinc/64/66/17/716646617.db2.gz REWONLWXTRGTBC-WVZRYYJFSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960649506 716646622 /nfs/dbraw/zinc/64/66/22/716646622.db2.gz REWONLWXTRGTBC-WVZRYYJFSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960649506 716646625 /nfs/dbraw/zinc/64/66/25/716646625.db2.gz REWONLWXTRGTBC-WVZRYYJFSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960649506 716646628 /nfs/dbraw/zinc/64/66/28/716646628.db2.gz REWONLWXTRGTBC-WVZRYYJFSA-N 2 2 314.433 1.446 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844261 716987183 /nfs/dbraw/zinc/98/71/83/716987183.db2.gz FXAMPMKDRCHPFR-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844261 716987185 /nfs/dbraw/zinc/98/71/85/716987185.db2.gz FXAMPMKDRCHPFR-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517907 717713863 /nfs/dbraw/zinc/71/38/63/717713863.db2.gz ISADXSQESLLFSW-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517907 717713868 /nfs/dbraw/zinc/71/38/68/717713868.db2.gz ISADXSQESLLFSW-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969910079 720557407 /nfs/dbraw/zinc/55/74/07/720557407.db2.gz ADVKQYOSATYYBA-NEPJUHHUSA-N 2 2 308.813 1.773 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970337976 720718296 /nfs/dbraw/zinc/71/82/96/720718296.db2.gz FWZHNAXIWOPCAY-DZGCQCFKSA-N 2 2 314.433 1.214 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971576651 721362311 /nfs/dbraw/zinc/36/23/11/721362311.db2.gz TXVQQCNKOAIMTF-HNNXBMFYSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971576651 721362313 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/nfs/dbraw/zinc/09/91/87/749099187.db2.gz VAABYWHKLHHFDK-HNNXBMFYSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269731 749099194 /nfs/dbraw/zinc/09/91/94/749099194.db2.gz VAABYWHKLHHFDK-HNNXBMFYSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039307674 761923133 /nfs/dbraw/zinc/92/31/33/761923133.db2.gz SVTKCSCKKPIRQY-GOOCMWNKSA-N 2 2 314.433 1.822 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413595 749309205 /nfs/dbraw/zinc/30/92/05/749309205.db2.gz GLLQKWKCOZJYMA-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413595 749309212 /nfs/dbraw/zinc/30/92/12/749309212.db2.gz GLLQKWKCOZJYMA-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995977409 749312082 /nfs/dbraw/zinc/31/20/82/749312082.db2.gz FNDIRAAEYFLCHO-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995977479 749312380 /nfs/dbraw/zinc/31/23/80/749312380.db2.gz FZEWMXQEWWOYNA-HIFRSBDPSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033416936 749315611 /nfs/dbraw/zinc/31/56/11/749315611.db2.gz RPPUQYUIDDXDSB-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033416936 749315615 /nfs/dbraw/zinc/31/56/15/749315615.db2.gz RPPUQYUIDDXDSB-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476456 749613533 /nfs/dbraw/zinc/61/35/33/749613533.db2.gz QTBQEJFDBDGPGF-KRWDZBQOSA-N 2 2 322.412 1.946 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367535 761970119 /nfs/dbraw/zinc/97/01/19/761970119.db2.gz HAWWJIYRKVFOBC-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367535 761970124 /nfs/dbraw/zinc/97/01/24/761970124.db2.gz HAWWJIYRKVFOBC-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568367 749695429 /nfs/dbraw/zinc/69/54/29/749695429.db2.gz DVRPKLGBYAODSE-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001039396630 761995998 /nfs/dbraw/zinc/99/59/98/761995998.db2.gz ZPCYWCGWLGTWGP-OAGGEKHMSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001039396630 761996000 /nfs/dbraw/zinc/99/60/00/761996000.db2.gz ZPCYWCGWLGTWGP-OAGGEKHMSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC ZINC001095556457 750037864 /nfs/dbraw/zinc/03/78/64/750037864.db2.gz SAVZFGSQVNSFTC-QZWWFDLISA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001095556457 750037873 /nfs/dbraw/zinc/03/78/73/750037873.db2.gz SAVZFGSQVNSFTC-QZWWFDLISA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001095556457 750037876 /nfs/dbraw/zinc/03/78/76/750037876.db2.gz SAVZFGSQVNSFTC-QZWWFDLISA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001095556457 750037882 /nfs/dbraw/zinc/03/78/82/750037882.db2.gz SAVZFGSQVNSFTC-QZWWFDLISA-N 2 2 303.450 1.606 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095609448 750075607 /nfs/dbraw/zinc/07/56/07/750075607.db2.gz KHXLHPPGKUMFTO-ILXRZTDVSA-N 2 2 302.422 1.834 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095609448 750075613 /nfs/dbraw/zinc/07/56/13/750075613.db2.gz KHXLHPPGKUMFTO-ILXRZTDVSA-N 2 2 302.422 1.834 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005607230 750696265 /nfs/dbraw/zinc/69/62/65/750696265.db2.gz SIYLENVRPMSPCW-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997219058 750699549 /nfs/dbraw/zinc/69/95/49/750699549.db2.gz JBUVLURRSCATGC-CQSZACIVSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470556 762061126 /nfs/dbraw/zinc/06/11/26/762061126.db2.gz HEXLKAUEGRLQFZ-CVEARBPZSA-N 2 2 300.406 1.280 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470556 762061135 /nfs/dbraw/zinc/06/11/35/762061135.db2.gz HEXLKAUEGRLQFZ-CVEARBPZSA-N 2 2 300.406 1.280 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606399 750829623 /nfs/dbraw/zinc/82/96/23/750829623.db2.gz DSOKDLBTTAHTOP-HALDLXJZSA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606399 750829629 /nfs/dbraw/zinc/82/96/29/750829629.db2.gz DSOKDLBTTAHTOP-HALDLXJZSA-N 2 2 302.422 1.365 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445713 750849451 /nfs/dbraw/zinc/84/94/51/750849451.db2.gz OFSGWXVIHSIXES-YESZJQIVSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445713 750849459 /nfs/dbraw/zinc/84/94/59/750849459.db2.gz OFSGWXVIHSIXES-YESZJQIVSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445713 750849468 /nfs/dbraw/zinc/84/94/68/750849468.db2.gz OFSGWXVIHSIXES-YESZJQIVSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445713 750849476 /nfs/dbraw/zinc/84/94/76/750849476.db2.gz OFSGWXVIHSIXES-YESZJQIVSA-N 2 2 301.434 1.312 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421565 762137307 /nfs/dbraw/zinc/13/73/07/762137307.db2.gz OYZCHTUMHJXPQM-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001108421565 762137309 /nfs/dbraw/zinc/13/73/09/762137309.db2.gz OYZCHTUMHJXPQM-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999605692 753004256 /nfs/dbraw/zinc/00/42/56/753004256.db2.gz NFRZYMAXQYAAAM-UHFFFAOYSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005980897 753451536 /nfs/dbraw/zinc/45/15/36/753451536.db2.gz OWJPYIDDIUGCFG-OAHLLOKOSA-N 2 2 314.433 1.776 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078776611 754374746 /nfs/dbraw/zinc/37/47/46/754374746.db2.gz OHKWAZWBLVGTEV-KBPBESRZSA-N 2 2 322.840 1.732 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355160 755056269 /nfs/dbraw/zinc/05/62/69/755056269.db2.gz OBQMFXSHUXYSMZ-GJZGRUSLSA-N 2 2 320.437 1.054 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355160 755056273 /nfs/dbraw/zinc/05/62/73/755056273.db2.gz OBQMFXSHUXYSMZ-GJZGRUSLSA-N 2 2 320.437 1.054 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789537 755574669 /nfs/dbraw/zinc/57/46/69/755574669.db2.gz KCNJIVXYCJNBTJ-TZMCWYRMSA-N 2 2 305.447 1.493 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789537 755574670 /nfs/dbraw/zinc/57/46/70/755574670.db2.gz KCNJIVXYCJNBTJ-TZMCWYRMSA-N 2 2 305.447 1.493 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993336 755669049 /nfs/dbraw/zinc/66/90/49/755669049.db2.gz GVXRKIKHGOWSJI-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993336 755669052 /nfs/dbraw/zinc/66/90/52/755669052.db2.gz GVXRKIKHGOWSJI-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993336 755669053 /nfs/dbraw/zinc/66/90/53/755669053.db2.gz GVXRKIKHGOWSJI-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001079993336 755669056 /nfs/dbraw/zinc/66/90/56/755669056.db2.gz GVXRKIKHGOWSJI-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014997513 756062229 /nfs/dbraw/zinc/06/22/29/756062229.db2.gz UDBWFKXOHIZQDC-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014997513 756062231 /nfs/dbraw/zinc/06/22/31/756062231.db2.gz UDBWFKXOHIZQDC-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001082604955 756864357 /nfs/dbraw/zinc/86/43/57/756864357.db2.gz LJWWCOSWJAKXJJ-AXAPSJFSSA-N 2 2 302.422 1.446 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082604955 756864365 /nfs/dbraw/zinc/86/43/65/756864365.db2.gz 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308.426 1.349 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085827 771616655 /nfs/dbraw/zinc/61/66/55/771616655.db2.gz QJTVGVJCPQMENA-FPCVCCKLSA-N 2 2 323.868 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085827 771616656 /nfs/dbraw/zinc/61/66/56/771616656.db2.gz QJTVGVJCPQMENA-FPCVCCKLSA-N 2 2 323.868 1.802 20 30 DDEDLP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682852 773199081 /nfs/dbraw/zinc/19/90/81/773199081.db2.gz VGUOOCRKXIVLSG-UHFFFAOYSA-N 2 2 318.421 1.079 20 30 DDEDLP C=CCOCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001147682852 773199083 /nfs/dbraw/zinc/19/90/83/773199083.db2.gz VGUOOCRKXIVLSG-UHFFFAOYSA-N 2 2 318.421 1.079 20 30 DDEDLP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682852 773199086 /nfs/dbraw/zinc/19/90/86/773199086.db2.gz VGUOOCRKXIVLSG-UHFFFAOYSA-N 2 2 318.421 1.079 20 30 DDEDLP C=CCOCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001147682852 773199091 /nfs/dbraw/zinc/19/90/91/773199091.db2.gz VGUOOCRKXIVLSG-UHFFFAOYSA-N 2 2 318.421 1.079 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086459 773939925 /nfs/dbraw/zinc/93/99/25/773939925.db2.gz JHCBURJWKXCEOQ-RKVPGOIHSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086459 773939927 /nfs/dbraw/zinc/93/99/27/773939927.db2.gz JHCBURJWKXCEOQ-RKVPGOIHSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086459 773939929 /nfs/dbraw/zinc/93/99/29/773939929.db2.gz JHCBURJWKXCEOQ-RKVPGOIHSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086459 773939932 /nfs/dbraw/zinc/93/99/32/773939932.db2.gz JHCBURJWKXCEOQ-RKVPGOIHSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001074718417 774083248 /nfs/dbraw/zinc/08/32/48/774083248.db2.gz PHKTUFKVWIONFB-YDHLFZDLSA-N 2 2 322.840 1.777 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324156 774947366 /nfs/dbraw/zinc/94/73/66/774947366.db2.gz ICMDVCLJICYUIS-AWEZNQCLSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324156 774947369 /nfs/dbraw/zinc/94/73/69/774947369.db2.gz ICMDVCLJICYUIS-AWEZNQCLSA-N 2 2 302.422 1.501 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036870198 775007462 /nfs/dbraw/zinc/00/74/62/775007462.db2.gz QGGFPSXXXXTVJT-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036870198 775007470 /nfs/dbraw/zinc/00/74/70/775007470.db2.gz QGGFPSXXXXTVJT-LSDHHAIUSA-N 2 2 314.433 1.633 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882425 775948771 /nfs/dbraw/zinc/94/87/71/775948771.db2.gz LPUWYTVAJYHEHM-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882425 775948778 /nfs/dbraw/zinc/94/87/78/775948778.db2.gz LPUWYTVAJYHEHM-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290546 778762486 /nfs/dbraw/zinc/76/24/86/778762486.db2.gz VMDFUFLQMBHBDL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290546 778762490 /nfs/dbraw/zinc/76/24/90/778762490.db2.gz VMDFUFLQMBHBDL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816272 779494834 /nfs/dbraw/zinc/49/48/34/779494834.db2.gz YDDYZUQOACJQTB-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816272 779494837 /nfs/dbraw/zinc/49/48/37/779494837.db2.gz YDDYZUQOACJQTB-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180386298 779739474 /nfs/dbraw/zinc/73/94/74/779739474.db2.gz AWDDMHNSYKXODB-QGZVFWFLSA-N 2 2 316.449 1.584 20 30 DDEDLP C#CCN(CC1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001116369555 780501549 /nfs/dbraw/zinc/50/15/49/780501549.db2.gz AFXMSLANIVZLOA-INIZCTEOSA-N 2 2 318.465 1.210 20 30 DDEDLP C#CCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001116369555 780501559 /nfs/dbraw/zinc/50/15/59/780501559.db2.gz AFXMSLANIVZLOA-INIZCTEOSA-N 2 2 318.465 1.210 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409165 836218884 /nfs/dbraw/zinc/21/88/84/836218884.db2.gz DVSQWIXOWHNBNK-JKSUJKDBSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409165 836218894 /nfs/dbraw/zinc/21/88/94/836218894.db2.gz DVSQWIXOWHNBNK-JKSUJKDBSA-N 2 2 317.437 1.460 20 30 DDEDLP C#CCC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001266592255 836509611 /nfs/dbraw/zinc/50/96/11/836509611.db2.gz MGOLZNGURCEUCB-UHFFFAOYSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001266592255 836509620 /nfs/dbraw/zinc/50/96/20/836509620.db2.gz MGOLZNGURCEUCB-UHFFFAOYSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001271900671 844193211 /nfs/dbraw/zinc/19/32/11/844193211.db2.gz JFGSKQNDJADROE-RBSFLKMASA-N 2 2 304.438 1.830 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267061984 837273323 /nfs/dbraw/zinc/27/33/23/837273323.db2.gz UXPAFOVFCCMEBL-INIZCTEOSA-N 2 2 324.428 1.647 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267557520 838301615 /nfs/dbraw/zinc/30/16/15/838301615.db2.gz GXBIBFKDSDOXIT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267557520 838301626 /nfs/dbraw/zinc/30/16/26/838301626.db2.gz GXBIBFKDSDOXIT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557520 838301638 /nfs/dbraw/zinc/30/16/38/838301638.db2.gz GXBIBFKDSDOXIT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557520 838301645 /nfs/dbraw/zinc/30/16/45/838301645.db2.gz GXBIBFKDSDOXIT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267653535 838585803 /nfs/dbraw/zinc/58/58/03/838585803.db2.gz VGNLFJDUNCWLDQ-OAHLLOKOSA-N 2 2 314.433 1.175 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267653535 838585796 /nfs/dbraw/zinc/58/57/96/838585796.db2.gz VGNLFJDUNCWLDQ-OAHLLOKOSA-N 2 2 314.433 1.175 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001268029072 839442229 /nfs/dbraw/zinc/44/22/29/839442229.db2.gz QTDSXXYFRNHSML-MRXNPFEDSA-N 2 2 309.454 1.256 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001268029072 839442235 /nfs/dbraw/zinc/44/22/35/839442235.db2.gz QTDSXXYFRNHSML-MRXNPFEDSA-N 2 2 309.454 1.256 20 30 DDEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001269442150 841644582 /nfs/dbraw/zinc/64/45/82/841644582.db2.gz GLZRPIUHPLKBDR-INIZCTEOSA-N 2 2 310.401 1.994 20 30 DDEDLP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271021108 843140913 /nfs/dbraw/zinc/14/09/13/843140913.db2.gz IQUKYVNJONAKBD-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791246 847431429 /nfs/dbraw/zinc/43/14/29/847431429.db2.gz OILZNWWMTWPNCB-DOMZBBRYSA-N 2 2 305.426 1.460 20 30 DDEDLP C=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791246 847431435 /nfs/dbraw/zinc/43/14/35/847431435.db2.gz OILZNWWMTWPNCB-DOMZBBRYSA-N 2 2 305.426 1.460 20 30 DDEDLP COC(=O)[C@H]([NH3+])C1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001155168831 861794450 /nfs/dbraw/zinc/79/44/50/861794450.db2.gz HYCSQJFNBHCORK-OAHLLOKOSA-N 2 2 302.378 1.173 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279783 848242544 /nfs/dbraw/zinc/24/25/44/848242544.db2.gz XBDOXJHPPPRSEA-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279783 848242551 /nfs/dbraw/zinc/24/25/51/848242551.db2.gz XBDOXJHPPPRSEA-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001327251795 861999436 /nfs/dbraw/zinc/99/94/36/861999436.db2.gz LXSFNGSIANQGKR-KRWDZBQOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001327251795 861999441 /nfs/dbraw/zinc/99/94/41/861999441.db2.gz LXSFNGSIANQGKR-KRWDZBQOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001327251795 861999448 /nfs/dbraw/zinc/99/94/48/861999448.db2.gz LXSFNGSIANQGKR-KRWDZBQOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001327251795 861999453 /nfs/dbraw/zinc/99/94/53/861999453.db2.gz LXSFNGSIANQGKR-KRWDZBQOSA-N 2 2 321.465 1.043 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372436 862007658 /nfs/dbraw/zinc/00/76/58/862007658.db2.gz HKIUTYZLGUKURH-ZDUSSCGKSA-N 2 2 305.813 1.466 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054652 862055143 /nfs/dbraw/zinc/05/51/43/862055143.db2.gz XAEZXZJFQDFUDW-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054652 862055160 /nfs/dbraw/zinc/05/51/60/862055160.db2.gz XAEZXZJFQDFUDW-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273495172 851028728 /nfs/dbraw/zinc/02/87/28/851028728.db2.gz PKEZTHVWNMZQKM-JKSUJKDBSA-N 2 2 315.408 1.479 20 30 DDEDLP C=CCCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273495172 851028736 /nfs/dbraw/zinc/02/87/36/851028736.db2.gz PKEZTHVWNMZQKM-JKSUJKDBSA-N 2 2 315.408 1.479 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273826782 851390780 /nfs/dbraw/zinc/39/07/80/851390780.db2.gz HFCREAKGOBPWCU-KRWDZBQOSA-N 2 2 304.438 1.451 20 30 DDEDLP C[NH+]1CCC([N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001273826782 851390788 /nfs/dbraw/zinc/39/07/88/851390788.db2.gz HFCREAKGOBPWCU-KRWDZBQOSA-N 2 2 304.438 1.451 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001280596445 852756938 /nfs/dbraw/zinc/75/69/38/852756938.db2.gz RHXVXHFYNKZHFB-HZPDHXFCSA-N 2 2 320.437 1.473 20 30 DDEDLP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275382912 853045339 /nfs/dbraw/zinc/04/53/39/853045339.db2.gz TZAPQCYFXPQDTQ-ZDUSSCGKSA-N 2 2 314.364 1.237 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001276188112 854932302 /nfs/dbraw/zinc/93/23/02/854932302.db2.gz ATVCIEFSPSHUIO-HNNXBMFYSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001276188112 854932304 /nfs/dbraw/zinc/93/23/04/854932304.db2.gz ATVCIEFSPSHUIO-HNNXBMFYSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328003995 862627673 /nfs/dbraw/zinc/62/76/73/862627673.db2.gz KPANPOINLIVWDA-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001153345483 863840363 /nfs/dbraw/zinc/84/03/63/863840363.db2.gz WXOLUFKZUAXLHJ-UHFFFAOYSA-N 2 2 311.389 1.441 20 30 DDEDLP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001329887144 863921848 /nfs/dbraw/zinc/92/18/48/863921848.db2.gz KBSHVLXOKZEQHM-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329888231 863922049 /nfs/dbraw/zinc/92/20/49/863922049.db2.gz TXSXFDWPFWRUOU-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157748630 864099183 /nfs/dbraw/zinc/09/91/83/864099183.db2.gz PPXCBQUEIVDLDF-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157748630 864099192 /nfs/dbraw/zinc/09/91/92/864099192.db2.gz PPXCBQUEIVDLDF-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157748630 864099200 /nfs/dbraw/zinc/09/92/00/864099200.db2.gz PPXCBQUEIVDLDF-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157748630 864099210 /nfs/dbraw/zinc/09/92/10/864099210.db2.gz PPXCBQUEIVDLDF-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330170005 864121727 /nfs/dbraw/zinc/12/17/27/864121727.db2.gz FSNLBBOLEBVAEY-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001330170005 864121731 /nfs/dbraw/zinc/12/17/31/864121731.db2.gz FSNLBBOLEBVAEY-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061818 864397337 /nfs/dbraw/zinc/39/73/37/864397337.db2.gz IYOVDVSMCHHFEC-UHFFFAOYSA-N 2 2 316.405 1.555 20 30 DDEDLP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001331476431 865109728 /nfs/dbraw/zinc/10/97/28/865109728.db2.gz VMILILAFPNIONE-CVEARBPZSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332822263 866167779 /nfs/dbraw/zinc/16/77/79/866167779.db2.gz CAWCRKOIKKWHJC-HOCLYGCPSA-N 2 2 316.449 1.589 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704576 866909134 /nfs/dbraw/zinc/90/91/34/866909134.db2.gz DDGYCIIMTASAHL-UHFFFAOYSA-N 2 2 300.406 1.124 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704576 866909144 /nfs/dbraw/zinc/90/91/44/866909144.db2.gz DDGYCIIMTASAHL-UHFFFAOYSA-N 2 2 300.406 1.124 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001324102028 867071202 /nfs/dbraw/zinc/07/12/02/867071202.db2.gz KKFJUFJYFLQGCD-JKSUJKDBSA-N 2 2 302.422 1.656 20 30 DDEDLP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989867 867163946 /nfs/dbraw/zinc/16/39/46/867163946.db2.gz SJIBLDPWKGMPQW-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989867 867163958 /nfs/dbraw/zinc/16/39/58/867163958.db2.gz SJIBLDPWKGMPQW-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001324961838 867662450 /nfs/dbraw/zinc/66/24/50/867662450.db2.gz VELOSEJYTKPGLC-RKVPGOIHSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001324961838 867662462 /nfs/dbraw/zinc/66/24/62/867662462.db2.gz VELOSEJYTKPGLC-RKVPGOIHSA-N 2 2 316.449 1.928 20 30 DDEDLP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001321760624 867778449 /nfs/dbraw/zinc/77/84/49/867778449.db2.gz UGVYIEZLIDFLOO-CQSZACIVSA-N 2 2 314.364 1.168 20 30 DDEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162970757 867959977 /nfs/dbraw/zinc/95/99/77/867959977.db2.gz JTZRKNVUUXJSDG-UHFFFAOYSA-N 2 2 312.417 1.799 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001325541632 868121062 /nfs/dbraw/zinc/12/10/62/868121062.db2.gz CSMJTWCQWNXMJW-LSDHHAIUSA-N 2 2 310.401 1.655 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cnc(C)s1 ZINC001317449690 870860047 /nfs/dbraw/zinc/86/00/47/870860047.db2.gz FGHIAKMHWRRUKC-HNNXBMFYSA-N 2 2 320.462 1.097 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cnc(C)s1 ZINC001317449690 870860061 /nfs/dbraw/zinc/86/00/61/870860061.db2.gz FGHIAKMHWRRUKC-HNNXBMFYSA-N 2 2 320.462 1.097 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cnc(C)s1 ZINC001317449690 870860072 /nfs/dbraw/zinc/86/00/72/870860072.db2.gz FGHIAKMHWRRUKC-HNNXBMFYSA-N 2 2 320.462 1.097 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cnc(C)s1 ZINC001317449690 870860081 /nfs/dbraw/zinc/86/00/81/870860081.db2.gz FGHIAKMHWRRUKC-HNNXBMFYSA-N 2 2 320.462 1.097 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001317727372 871446691 /nfs/dbraw/zinc/44/66/91/871446691.db2.gz PULRWOUDWGNEHI-SFHVURJKSA-N 2 2 313.445 1.799 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790245 871505185 /nfs/dbraw/zinc/50/51/85/871505185.db2.gz UKRSESKIPFEGNB-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790245 871505202 /nfs/dbraw/zinc/50/52/02/871505202.db2.gz UKRSESKIPFEGNB-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790247 871505480 /nfs/dbraw/zinc/50/54/80/871505480.db2.gz UKRSESKIPFEGNB-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790247 871505487 /nfs/dbraw/zinc/50/54/87/871505487.db2.gz UKRSESKIPFEGNB-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP N#Cc1c(N)sc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1Cl ZINC001205681220 871693201 /nfs/dbraw/zinc/69/32/01/871693201.db2.gz HATXLCIJBDDVRE-ZDUSSCGKSA-N 2 2 314.842 1.531 20 30 DDEDLP N#Cc1c(N)sc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1Cl ZINC001205681220 871693211 /nfs/dbraw/zinc/69/32/11/871693211.db2.gz HATXLCIJBDDVRE-ZDUSSCGKSA-N 2 2 314.842 1.531 20 30 DDEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316700919 871883618 /nfs/dbraw/zinc/88/36/18/871883618.db2.gz XUMCNRYOEYESIC-LXTVHRRPSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316700919 871883640 /nfs/dbraw/zinc/88/36/40/871883640.db2.gz XUMCNRYOEYESIC-LXTVHRRPSA-N 2 2 300.406 1.363 20 30 DDEDLP C=CC[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCC1 ZINC001318642063 872182267 /nfs/dbraw/zinc/18/22/67/872182267.db2.gz IGEWORBLRPKHNA-UHFFFAOYSA-N 2 2 303.406 1.837 20 30 DDEDLP C=CCOCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001316933883 872410403 /nfs/dbraw/zinc/41/04/03/872410403.db2.gz PPXTZKCUHJDLNY-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319205709 872499195 /nfs/dbraw/zinc/49/91/95/872499195.db2.gz AOXGPTICWUOQQW-ZDUSSCGKSA-N 2 2 314.389 1.168 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001319320195 872568294 /nfs/dbraw/zinc/56/82/94/872568294.db2.gz XTYLQCJLEQATTD-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001319320195 872568303 /nfs/dbraw/zinc/56/83/03/872568303.db2.gz XTYLQCJLEQATTD-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001319320195 872568312 /nfs/dbraw/zinc/56/83/12/872568312.db2.gz XTYLQCJLEQATTD-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001319320195 872568318 /nfs/dbraw/zinc/56/83/18/872568318.db2.gz XTYLQCJLEQATTD-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905855 872744185 /nfs/dbraw/zinc/74/41/85/872744185.db2.gz QKXFAZKISQJWRL-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/CC)C[C@H]1C ZINC001207582705 873404613 /nfs/dbraw/zinc/40/46/13/873404613.db2.gz CESNBGFKCYZMIC-OPGNADACSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001207582705 873404615 /nfs/dbraw/zinc/40/46/15/873404615.db2.gz CESNBGFKCYZMIC-OPGNADACSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001207582705 873404616 /nfs/dbraw/zinc/40/46/16/873404616.db2.gz CESNBGFKCYZMIC-OPGNADACSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@H]1C ZINC001207582705 873404618 /nfs/dbraw/zinc/40/46/18/873404618.db2.gz CESNBGFKCYZMIC-OPGNADACSA-N 2 2 317.477 1.877 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001378263760 874575269 /nfs/dbraw/zinc/57/52/69/874575269.db2.gz BEUHZIRWRKTBGV-OLZOCXBDSA-N 2 2 310.829 1.682 20 30 DDEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866180 875149979 /nfs/dbraw/zinc/14/99/79/875149979.db2.gz PKZIRZKDBSTZEB-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855177 876817813 /nfs/dbraw/zinc/81/78/13/876817813.db2.gz NQGHBRLGCBYMLY-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855177 876817820 /nfs/dbraw/zinc/81/78/20/876817820.db2.gz NQGHBRLGCBYMLY-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624928 877617842 /nfs/dbraw/zinc/61/78/42/877617842.db2.gz YKWNBDVCCXWUGW-HRCADAONSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624928 877617850 /nfs/dbraw/zinc/61/78/50/877617850.db2.gz YKWNBDVCCXWUGW-HRCADAONSA-N 2 2 309.454 1.204 20 30 DDEDLP N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(OC(F)(F)F)c1 ZINC001218841330 877761211 /nfs/dbraw/zinc/76/12/11/877761211.db2.gz YBJXVPSMEHQREF-SCZZXKLOSA-N 2 2 314.267 1.085 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553021 878321378 /nfs/dbraw/zinc/32/13/78/878321378.db2.gz PJEKDVPTLAUWJK-CABCVRRESA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553021 878321390 /nfs/dbraw/zinc/32/13/90/878321390.db2.gz PJEKDVPTLAUWJK-CABCVRRESA-N 2 2 322.453 1.474 20 30 DDEDLP C=CCc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222497514 880512302 /nfs/dbraw/zinc/51/23/02/880512302.db2.gz NWHOFYZJPVTOHA-IRXDYDNUSA-N 2 2 301.434 1.647 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227680421 883126238 /nfs/dbraw/zinc/12/62/38/883126238.db2.gz JHUQUCKOKGTKJY-HUUCEWRRSA-N 2 2 302.422 1.393 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001277618686 886114926 /nfs/dbraw/zinc/11/49/26/886114926.db2.gz WSUKMQPNCFIOPL-UHFFFAOYSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013137 887556509 /nfs/dbraw/zinc/55/65/09/887556509.db2.gz UFTFWBWWTXDZQH-CQSZACIVSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013137 887556520 /nfs/dbraw/zinc/55/65/20/887556520.db2.gz UFTFWBWWTXDZQH-CQSZACIVSA-N 2 2 306.410 1.078 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245980071 892298922 /nfs/dbraw/zinc/29/89/22/892298922.db2.gz FTGTWGJVCPUHEH-WMZOPIPTSA-N 2 2 320.433 1.754 20 30 DDEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001366311222 893118865 /nfs/dbraw/zinc/11/88/65/893118865.db2.gz HEEPOKJRTZPCHW-GFCCVEGCSA-N 2 2 317.418 1.501 20 30 DDEDLP C#CC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001278626394 894603814 /nfs/dbraw/zinc/60/38/14/894603814.db2.gz BQJANCGXYSPEMS-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)s1 ZINC001366990399 895505646 /nfs/dbraw/zinc/50/56/46/895505646.db2.gz SGKCJLLQNFGDDL-UHFFFAOYSA-N 2 2 318.446 1.264 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864584 896890953 /nfs/dbraw/zinc/89/09/53/896890953.db2.gz FXMONEGTWPKARI-INIZCTEOSA-N 2 2 317.433 1.395 20 30 DDEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864584 896890970 /nfs/dbraw/zinc/89/09/70/896890970.db2.gz FXMONEGTWPKARI-INIZCTEOSA-N 2 2 317.433 1.395 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390477345 899496316 /nfs/dbraw/zinc/49/63/16/899496316.db2.gz CJQWGMRWDYHUNB-LLVKDONJSA-N 2 2 315.352 1.257 20 30 DDEDLP CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001264371401 901052124 /nfs/dbraw/zinc/05/21/24/901052124.db2.gz VHTKKWVEDSUTRS-SFHVURJKSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001264371401 901052127 /nfs/dbraw/zinc/05/21/27/901052127.db2.gz VHTKKWVEDSUTRS-SFHVURJKSA-N 2 2 313.445 1.523 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264745482 901326864 /nfs/dbraw/zinc/32/68/64/901326864.db2.gz ICJSZZWGOGNZOW-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001264745482 901326869 /nfs/dbraw/zinc/32/68/69/901326869.db2.gz ICJSZZWGOGNZOW-HNNXBMFYSA-N 2 2 302.422 1.299 20 30 DDEDLP C=CC[NH+]1CCN(CCCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001265251188 901773453 /nfs/dbraw/zinc/77/34/53/901773453.db2.gz AHXWNFYUMGXTPP-UHFFFAOYSA-N 2 2 322.497 1.028 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265390241 901958063 /nfs/dbraw/zinc/95/80/63/901958063.db2.gz AHLJXTLOEIYWBM-OAHLLOKOSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265390241 901958075 /nfs/dbraw/zinc/95/80/75/901958075.db2.gz AHLJXTLOEIYWBM-OAHLLOKOSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265390241 901958090 /nfs/dbraw/zinc/95/80/90/901958090.db2.gz AHLJXTLOEIYWBM-OAHLLOKOSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265390241 901958107 /nfs/dbraw/zinc/95/81/07/901958107.db2.gz AHLJXTLOEIYWBM-OAHLLOKOSA-N 2 2 302.422 1.536 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001280094139 903513286 /nfs/dbraw/zinc/51/32/86/903513286.db2.gz IDJKLQQJJGDADE-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374034382 911694851 /nfs/dbraw/zinc/69/48/51/911694851.db2.gz BWTKLCZFYKISRE-YPMHNXCESA-N 2 2 310.829 1.540 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001375512331 916174948 /nfs/dbraw/zinc/17/49/48/916174948.db2.gz MIWKCTZXFKDNLF-IYBDPMFKSA-N 2 2 323.400 1.508 20 30 DDEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329408904 539304201 /nfs/dbraw/zinc/30/42/01/539304201.db2.gz DKQXRKQIHIRUBH-CQSZACIVSA-N 2 2 305.426 1.877 20 30 DDEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329408904 539304203 /nfs/dbraw/zinc/30/42/03/539304203.db2.gz DKQXRKQIHIRUBH-CQSZACIVSA-N 2 2 305.426 1.877 20 30 DDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)C[NH+]1CCCCC1 ZINC000329409345 539304248 /nfs/dbraw/zinc/30/42/48/539304248.db2.gz DLHFTWAIDIBZBL-AWEZNQCLSA-N 2 2 305.426 1.735 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103530 529922667 /nfs/dbraw/zinc/92/26/67/529922667.db2.gz TVOBSUYOTOROJP-SJORKVTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103530 529922669 /nfs/dbraw/zinc/92/26/69/529922669.db2.gz TVOBSUYOTOROJP-SJORKVTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000339103530 529922671 /nfs/dbraw/zinc/92/26/71/529922671.db2.gz TVOBSUYOTOROJP-SJORKVTESA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000339103530 529922672 /nfs/dbraw/zinc/92/26/72/529922672.db2.gz TVOBSUYOTOROJP-SJORKVTESA-N 2 2 302.422 1.936 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151152152 354181069 /nfs/dbraw/zinc/18/10/69/354181069.db2.gz RBZOPESDCQVAOO-OAHLLOKOSA-N 2 2 315.421 1.212 20 30 DDEDLP N#CC[C@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000592154577 355519962 /nfs/dbraw/zinc/51/99/62/355519962.db2.gz UHIBDNZVMKNUAB-SFHVURJKSA-N 2 2 315.417 1.369 20 30 DDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000592154577 355519967 /nfs/dbraw/zinc/51/99/67/355519967.db2.gz UHIBDNZVMKNUAB-SFHVURJKSA-N 2 2 315.417 1.369 20 30 DDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472762 356507725 /nfs/dbraw/zinc/50/77/25/356507725.db2.gz QDMTVNLASLOZDR-INIZCTEOSA-N 2 2 316.449 1.640 20 30 DDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472762 356507728 /nfs/dbraw/zinc/50/77/28/356507728.db2.gz QDMTVNLASLOZDR-INIZCTEOSA-N 2 2 316.449 1.640 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507787 356523978 /nfs/dbraw/zinc/52/39/78/356523978.db2.gz QUIXMDSSYBNRSP-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507787 356523982 /nfs/dbraw/zinc/52/39/82/356523982.db2.gz QUIXMDSSYBNRSP-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507787 356523984 /nfs/dbraw/zinc/52/39/84/356523984.db2.gz QUIXMDSSYBNRSP-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507787 356523988 /nfs/dbraw/zinc/52/39/88/356523988.db2.gz QUIXMDSSYBNRSP-BPQIPLTHSA-N 2 2 320.481 1.847 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595940236 356715200 /nfs/dbraw/zinc/71/52/00/356715200.db2.gz PGNTZRUFTFKJGG-OAHLLOKOSA-N 2 2 315.421 1.709 20 30 DDEDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)cc1F ZINC000596654887 356943175 /nfs/dbraw/zinc/94/31/75/356943175.db2.gz QMNJQOGPHGLSSE-SECBINFHSA-N 2 2 301.325 1.502 20 30 DDEDLP N#Cc1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000598679014 357684482 /nfs/dbraw/zinc/68/44/82/357684482.db2.gz CSAIGRKZAHEURY-UHFFFAOYSA-N 2 2 322.416 1.633 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000599474154 357949285 /nfs/dbraw/zinc/94/92/85/357949285.db2.gz JBVDDGSLUSMCMW-UHFFFAOYSA-N 2 2 315.417 1.734 20 30 DDEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721855 358296035 /nfs/dbraw/zinc/29/60/35/358296035.db2.gz OAVGOAOILUWNJT-HOTGVXAUSA-N 2 2 311.470 1.624 20 30 DDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977226 359336066 /nfs/dbraw/zinc/33/60/66/359336066.db2.gz ZGFWVVLGBCHSEU-CZUORRHYSA-N 2 2 304.438 1.353 20 30 DDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977226 359336071 /nfs/dbraw/zinc/33/60/71/359336071.db2.gz ZGFWVVLGBCHSEU-CZUORRHYSA-N 2 2 304.438 1.353 20 30 DDEDLP N#Cc1ccc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000271983966 209359521 /nfs/dbraw/zinc/35/95/21/209359521.db2.gz OVDMILURVDDXIF-UHFFFAOYSA-N 2 2 309.417 1.963 20 30 DDEDLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H](C)C#N ZINC000091983555 193136506 /nfs/dbraw/zinc/13/65/06/193136506.db2.gz QAMKNALNNXSBDQ-AWEZNQCLSA-N 2 2 302.426 1.210 20 30 DDEDLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@@H](C)C#N ZINC000091983555 193136508 /nfs/dbraw/zinc/13/65/08/193136508.db2.gz QAMKNALNNXSBDQ-AWEZNQCLSA-N 2 2 302.426 1.210 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000566863197 304184573 /nfs/dbraw/zinc/18/45/73/304184573.db2.gz JHXQJIXITYMQSO-UHFFFAOYSA-N 2 2 312.333 1.512 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933712 407528229 /nfs/dbraw/zinc/52/82/29/407528229.db2.gz FOEDSCGJCXPQFW-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933712 407528233 /nfs/dbraw/zinc/52/82/33/407528233.db2.gz FOEDSCGJCXPQFW-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113933712 407528237 /nfs/dbraw/zinc/52/82/37/407528237.db2.gz FOEDSCGJCXPQFW-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113933712 407528243 /nfs/dbraw/zinc/52/82/43/407528243.db2.gz FOEDSCGJCXPQFW-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C=C(Br)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069243 408073660 /nfs/dbraw/zinc/07/36/60/408073660.db2.gz AHSCXKDKTMJFHV-AWEZNQCLSA-N 2 2 316.287 1.997 20 30 DDEDLP C=C(Br)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069243 408073667 /nfs/dbraw/zinc/07/36/67/408073667.db2.gz AHSCXKDKTMJFHV-AWEZNQCLSA-N 2 2 316.287 1.997 20 30 DDEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000263266789 408081511 /nfs/dbraw/zinc/08/15/11/408081511.db2.gz VMDRSIKASIONBZ-OAHLLOKOSA-N 2 2 302.422 1.345 20 30 DDEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000263266789 408081513 /nfs/dbraw/zinc/08/15/13/408081513.db2.gz VMDRSIKASIONBZ-OAHLLOKOSA-N 2 2 302.422 1.345 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000268684561 408155334 /nfs/dbraw/zinc/15/53/34/408155334.db2.gz YDDPOIAFKSNMJQ-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000268684561 408155338 /nfs/dbraw/zinc/15/53/38/408155338.db2.gz YDDPOIAFKSNMJQ-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000167010488 408817139 /nfs/dbraw/zinc/81/71/39/408817139.db2.gz LZQQXUUADGQCCN-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000318255448 164030502 /nfs/dbraw/zinc/03/05/02/164030502.db2.gz AHUHQWOSFGLXBP-HZPDHXFCSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1C#N ZINC000318255448 164030504 /nfs/dbraw/zinc/03/05/04/164030504.db2.gz AHUHQWOSFGLXBP-HZPDHXFCSA-N 2 2 301.390 1.520 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350744417 409989285 /nfs/dbraw/zinc/98/92/85/409989285.db2.gz AOGUNCKZGSXAGB-KRWDZBQOSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350744417 409989289 /nfs/dbraw/zinc/98/92/89/409989289.db2.gz AOGUNCKZGSXAGB-KRWDZBQOSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350744417 409989295 /nfs/dbraw/zinc/98/92/95/409989295.db2.gz AOGUNCKZGSXAGB-KRWDZBQOSA-N 2 2 305.466 1.851 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350744417 409989298 /nfs/dbraw/zinc/98/92/98/409989298.db2.gz AOGUNCKZGSXAGB-KRWDZBQOSA-N 2 2 305.466 1.851 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC[C@@H]21 ZINC000329635614 410396121 /nfs/dbraw/zinc/39/61/21/410396121.db2.gz UPEUDMUFVNEDAH-IOASZLSFSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC[C@@H]21 ZINC000329635614 410396126 /nfs/dbraw/zinc/39/61/26/410396126.db2.gz UPEUDMUFVNEDAH-IOASZLSFSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC[C@@H]21 ZINC000329635614 410396131 /nfs/dbraw/zinc/39/61/31/410396131.db2.gz UPEUDMUFVNEDAH-IOASZLSFSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC[C@@H]21 ZINC000329635614 410396133 /nfs/dbraw/zinc/39/61/33/410396133.db2.gz UPEUDMUFVNEDAH-IOASZLSFSA-N 2 2 317.437 1.597 20 30 DDEDLP C[NH+](C)CCOc1cc(C[NH2+]Cc2nc(C#N)cs2)ccn1 ZINC000352836503 410681896 /nfs/dbraw/zinc/68/18/96/410681896.db2.gz MCZIEYRSMZLNIZ-UHFFFAOYSA-N 2 2 317.418 1.640 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963724 222232260 /nfs/dbraw/zinc/23/22/60/222232260.db2.gz GMUIGGUVBZQOMF-HZPDHXFCSA-N 2 2 317.437 1.058 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963724 222232262 /nfs/dbraw/zinc/23/22/62/222232262.db2.gz GMUIGGUVBZQOMF-HZPDHXFCSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963724 222232265 /nfs/dbraw/zinc/23/22/65/222232265.db2.gz GMUIGGUVBZQOMF-HZPDHXFCSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]21 ZINC000247963724 222232267 /nfs/dbraw/zinc/23/22/67/222232267.db2.gz GMUIGGUVBZQOMF-HZPDHXFCSA-N 2 2 317.437 1.058 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128215 222233725 /nfs/dbraw/zinc/23/37/25/222233725.db2.gz ODYJKPZTWPUDNV-ZOBUZTSGSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128215 222233727 /nfs/dbraw/zinc/23/37/27/222233727.db2.gz ODYJKPZTWPUDNV-ZOBUZTSGSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248128215 222233732 /nfs/dbraw/zinc/23/37/32/222233732.db2.gz ODYJKPZTWPUDNV-ZOBUZTSGSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248128215 222233733 /nfs/dbraw/zinc/23/37/33/222233733.db2.gz ODYJKPZTWPUDNV-ZOBUZTSGSA-N 2 2 306.454 1.457 20 30 DDEDLP C[NH+]=C(NCC(C)(C)OC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262018489 222270910 /nfs/dbraw/zinc/27/09/10/222270910.db2.gz YHKAROFDADOJFA-KBPBESRZSA-N 2 2 307.442 1.766 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)c3ccccc3n2)CC1 ZINC000362131654 418749152 /nfs/dbraw/zinc/74/91/52/418749152.db2.gz YBEKIWAULXDGMW-UHFFFAOYSA-N 2 2 323.444 2.544 20 30 DDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000389252488 418749169 /nfs/dbraw/zinc/74/91/69/418749169.db2.gz MYHPRLUWLJSKRZ-HOTGVXAUSA-N 2 2 303.406 1.372 20 30 DDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000389252488 418749170 /nfs/dbraw/zinc/74/91/70/418749170.db2.gz MYHPRLUWLJSKRZ-HOTGVXAUSA-N 2 2 303.406 1.372 20 30 DDEDLP C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013255 419807031 /nfs/dbraw/zinc/80/70/31/419807031.db2.gz FDVYOKYRXTVLNA-GOSISDBHSA-N 2 2 323.481 1.332 20 30 DDEDLP C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013255 419807037 /nfs/dbraw/zinc/80/70/37/419807037.db2.gz FDVYOKYRXTVLNA-GOSISDBHSA-N 2 2 323.481 1.332 20 30 DDEDLP N#CCCn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccncc2)n1 ZINC000433339833 229189192 /nfs/dbraw/zinc/18/91/92/229189192.db2.gz MVOMLZQBOMFUQA-UHFFFAOYSA-N 2 2 321.388 1.845 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000425354622 420361938 /nfs/dbraw/zinc/36/19/38/420361938.db2.gz NHTJWOAPRHMTQO-HOCLYGCPSA-N 2 2 310.438 1.585 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000581892706 422064055 /nfs/dbraw/zinc/06/40/55/422064055.db2.gz UGDBLVNCQNOGGK-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000581892706 422064058 /nfs/dbraw/zinc/06/40/58/422064058.db2.gz UGDBLVNCQNOGGK-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577178075 422383067 /nfs/dbraw/zinc/38/30/67/422383067.db2.gz FHZIVDJMCOCJBU-CRAIPNDOSA-N 2 2 312.417 1.439 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577178075 422383069 /nfs/dbraw/zinc/38/30/69/422383069.db2.gz FHZIVDJMCOCJBU-CRAIPNDOSA-N 2 2 312.417 1.439 20 30 DDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000353425925 268223687 /nfs/dbraw/zinc/22/36/87/268223687.db2.gz KNVYVZWSDLXIMP-IAGOWNOFSA-N 2 2 312.417 1.475 20 30 DDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000353425925 268223691 /nfs/dbraw/zinc/22/36/91/268223691.db2.gz KNVYVZWSDLXIMP-IAGOWNOFSA-N 2 2 312.417 1.475 20 30 DDEDLP C[C@@H](CC[NH+]=C([O-])N1CCn2cc[nH+]c2C1)[NH+]1CCCCC1 ZINC000329758988 274208370 /nfs/dbraw/zinc/20/83/70/274208370.db2.gz OHWDJIONKUCDDO-AWEZNQCLSA-N 2 2 305.426 1.877 20 30 DDEDLP C(#CC[N@@H+]1CCOCC2(CC2)C1)C[NH+]1CCOCC2(CC2)C1 ZINC000367464303 275388730 /nfs/dbraw/zinc/38/87/30/275388730.db2.gz RLWPJLCULBCHJG-UHFFFAOYSA-N 2 2 304.434 1.215 20 30 DDEDLP C(#CC[N@H+]1CCOCC2(CC2)C1)C[NH+]1CCOCC2(CC2)C1 ZINC000367464303 275388731 /nfs/dbraw/zinc/38/87/31/275388731.db2.gz RLWPJLCULBCHJG-UHFFFAOYSA-N 2 2 304.434 1.215 20 30 DDEDLP C[NH+]=C(NCC(C)(C)OC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262018491 276841065 /nfs/dbraw/zinc/84/10/65/276841065.db2.gz YHKAROFDADOJFA-UONOGXRCSA-N 2 2 307.442 1.766 20 30 DDEDLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000375501895 301949840 /nfs/dbraw/zinc/94/98/40/301949840.db2.gz HMNVEPRUTKVBHN-WBHUJUFNSA-N 2 2 323.400 1.962 20 30 DDEDLP CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563365994 333597258 /nfs/dbraw/zinc/59/72/58/333597258.db2.gz OQPBJOLIOPIFQB-CABCVRRESA-N 2 2 315.421 1.401 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491638244 526802035 /nfs/dbraw/zinc/80/20/35/526802035.db2.gz VNNLDCBAJHBFOZ-YFHOEESVSA-N 2 2 322.412 1.957 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491638244 526802040 /nfs/dbraw/zinc/80/20/40/526802040.db2.gz VNNLDCBAJHBFOZ-YFHOEESVSA-N 2 2 322.412 1.957 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000491121844 526826596 /nfs/dbraw/zinc/82/65/96/526826596.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000491121844 526826603 /nfs/dbraw/zinc/82/66/03/526826603.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000491121844 526826605 /nfs/dbraw/zinc/82/66/05/526826605.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000491121844 526826606 /nfs/dbraw/zinc/82/66/06/526826606.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC2CC2)CC2CCC2)CC1 ZINC000491675042 526947728 /nfs/dbraw/zinc/94/77/28/526947728.db2.gz SZZUAVWTVPPAFQ-UHFFFAOYSA-N 2 2 303.450 1.276 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC000491675042 526947731 /nfs/dbraw/zinc/94/77/31/526947731.db2.gz SZZUAVWTVPPAFQ-UHFFFAOYSA-N 2 2 303.450 1.276 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491734025 527213164 /nfs/dbraw/zinc/21/31/64/527213164.db2.gz BBJVFEYVMSSIBB-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491734025 527213166 /nfs/dbraw/zinc/21/31/66/527213166.db2.gz BBJVFEYVMSSIBB-OAHLLOKOSA-N 2 2 300.406 1.074 20 30 DDEDLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330439746 527590641 /nfs/dbraw/zinc/59/06/41/527590641.db2.gz RILNSVQZVRPLMC-UHFFFAOYSA-N 2 2 312.458 1.477 20 30 DDEDLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330439746 527590646 /nfs/dbraw/zinc/59/06/46/527590646.db2.gz RILNSVQZVRPLMC-UHFFFAOYSA-N 2 2 312.458 1.477 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000331472204 528990689 /nfs/dbraw/zinc/99/06/89/528990689.db2.gz GTUBRYHDXNNBHL-KRWDZBQOSA-N 2 2 306.454 1.599 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000331472204 528990694 /nfs/dbraw/zinc/99/06/94/528990694.db2.gz GTUBRYHDXNNBHL-KRWDZBQOSA-N 2 2 306.454 1.599 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374142 695233137 /nfs/dbraw/zinc/23/31/37/695233137.db2.gz OVGHRSTYQVIIIU-SJLPKXTDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374142 695233140 /nfs/dbraw/zinc/23/31/40/695233140.db2.gz OVGHRSTYQVIIIU-SJLPKXTDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374142 695233142 /nfs/dbraw/zinc/23/31/42/695233142.db2.gz OVGHRSTYQVIIIU-SJLPKXTDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374142 695233144 /nfs/dbraw/zinc/23/31/44/695233144.db2.gz OVGHRSTYQVIIIU-SJLPKXTDSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974754630 695726860 /nfs/dbraw/zinc/72/68/60/695726860.db2.gz SPPIABRZEXEFJG-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974754630 695726862 /nfs/dbraw/zinc/72/68/62/695726862.db2.gz SPPIABRZEXEFJG-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000746540889 700029412 /nfs/dbraw/zinc/02/94/12/700029412.db2.gz YCIBGUSWFGELTJ-UHFFFAOYSA-N 2 2 324.428 1.647 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197432 697031976 /nfs/dbraw/zinc/03/19/76/697031976.db2.gz BCYBSDBEKWZAGK-MRXNPFEDSA-N 2 2 316.449 1.954 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197432 697031977 /nfs/dbraw/zinc/03/19/77/697031977.db2.gz BCYBSDBEKWZAGK-MRXNPFEDSA-N 2 2 316.449 1.954 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N)cc1Cl ZINC000799489150 700145574 /nfs/dbraw/zinc/14/55/74/700145574.db2.gz OCLNQQQINRQTEE-UHFFFAOYSA-N 2 2 310.829 1.958 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500021 697520766 /nfs/dbraw/zinc/52/07/66/697520766.db2.gz GDAQMMJCNYILFX-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500021 697520768 /nfs/dbraw/zinc/52/07/68/697520768.db2.gz GDAQMMJCNYILFX-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985501543 697521300 /nfs/dbraw/zinc/52/13/00/697521300.db2.gz WCTDXSLIWLHXFN-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985501543 697521302 /nfs/dbraw/zinc/52/13/02/697521302.db2.gz WCTDXSLIWLHXFN-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000261945971 698446607 /nfs/dbraw/zinc/44/66/07/698446607.db2.gz YEWWMTJZEOADBP-UHFFFAOYSA-N 2 2 304.394 1.128 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122640 699239647 /nfs/dbraw/zinc/23/96/47/699239647.db2.gz WNKHRVCVMNEMKY-LNCBFAARSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122640 699239650 /nfs/dbraw/zinc/23/96/50/699239650.db2.gz WNKHRVCVMNEMKY-LNCBFAARSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991122640 699239653 /nfs/dbraw/zinc/23/96/53/699239653.db2.gz WNKHRVCVMNEMKY-LNCBFAARSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991122640 699239654 /nfs/dbraw/zinc/23/96/54/699239654.db2.gz WNKHRVCVMNEMKY-LNCBFAARSA-N 2 2 300.406 1.812 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000792302037 699691573 /nfs/dbraw/zinc/69/15/73/699691573.db2.gz PLSHJSHVHBSEPC-UHFFFAOYSA-N 2 2 314.433 1.332 20 30 DDEDLP C#CC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000792302037 699691575 /nfs/dbraw/zinc/69/15/75/699691575.db2.gz PLSHJSHVHBSEPC-UHFFFAOYSA-N 2 2 314.433 1.332 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1cc(F)c(N)c(F)c1 ZINC000814923185 701771829 /nfs/dbraw/zinc/77/18/29/701771829.db2.gz ARKVEXBBRIPLFW-UHFFFAOYSA-N 2 2 312.364 1.583 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260254 706924010 /nfs/dbraw/zinc/92/40/10/706924010.db2.gz AADYSERLXSNXSG-CABCVRRESA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260254 706924011 /nfs/dbraw/zinc/92/40/11/706924011.db2.gz AADYSERLXSNXSG-CABCVRRESA-N 2 2 315.421 1.353 20 30 DDEDLP C[N@H+](C[C@H](O)CC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796661 713691396 /nfs/dbraw/zinc/69/13/96/713691396.db2.gz CIVLUASMIOIBPF-QGZVFWFLSA-N 2 2 302.422 1.295 20 30 DDEDLP C[N@@H+](C[C@H](O)CC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796661 713691398 /nfs/dbraw/zinc/69/13/98/713691398.db2.gz CIVLUASMIOIBPF-QGZVFWFLSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000923551791 714398734 /nfs/dbraw/zinc/39/87/34/714398734.db2.gz RTCRCFIUIUKJQR-GOSISDBHSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000923551791 714398737 /nfs/dbraw/zinc/39/87/37/714398737.db2.gz RTCRCFIUIUKJQR-GOSISDBHSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000923551791 714398741 /nfs/dbraw/zinc/39/87/41/714398741.db2.gz RTCRCFIUIUKJQR-GOSISDBHSA-N 2 2 313.445 1.375 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000923551791 714398744 /nfs/dbraw/zinc/39/87/44/714398744.db2.gz RTCRCFIUIUKJQR-GOSISDBHSA-N 2 2 313.445 1.375 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000925811947 714941586 /nfs/dbraw/zinc/94/15/86/714941586.db2.gz FZTKOSXNGSURTF-OIISXLGYSA-N 2 2 303.381 1.944 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521489 717718022 /nfs/dbraw/zinc/71/80/22/717718022.db2.gz VHCJWOWLCWEVLI-CABCVRRESA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521489 717718026 /nfs/dbraw/zinc/71/80/26/717718026.db2.gz VHCJWOWLCWEVLI-CABCVRRESA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314254 717738523 /nfs/dbraw/zinc/73/85/23/717738523.db2.gz KBWPWRMWNDZXFD-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314254 717738524 /nfs/dbraw/zinc/73/85/24/717738524.db2.gz KBWPWRMWNDZXFD-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314254 717738525 /nfs/dbraw/zinc/73/85/25/717738525.db2.gz KBWPWRMWNDZXFD-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314254 717738527 /nfs/dbraw/zinc/73/85/27/717738527.db2.gz KBWPWRMWNDZXFD-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365323 717761261 /nfs/dbraw/zinc/76/12/61/717761261.db2.gz GKKUKFLJONVQMG-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365323 717761265 /nfs/dbraw/zinc/76/12/65/717761265.db2.gz GKKUKFLJONVQMG-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093528 718762989 /nfs/dbraw/zinc/76/29/89/718762989.db2.gz ZRLUJUIBTXCIJS-BBRMVZONSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093528 718762991 /nfs/dbraw/zinc/76/29/91/718762991.db2.gz ZRLUJUIBTXCIJS-BBRMVZONSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815634 718917224 /nfs/dbraw/zinc/91/72/24/718917224.db2.gz IMVMHTWVVDSXJR-HRCADAONSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815634 718917225 /nfs/dbraw/zinc/91/72/25/718917225.db2.gz IMVMHTWVVDSXJR-HRCADAONSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815634 718917227 /nfs/dbraw/zinc/91/72/27/718917227.db2.gz IMVMHTWVVDSXJR-HRCADAONSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815634 718917229 /nfs/dbraw/zinc/91/72/29/718917229.db2.gz IMVMHTWVVDSXJR-HRCADAONSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947552679 719209507 /nfs/dbraw/zinc/20/95/07/719209507.db2.gz XAYJRFUVOLZTQR-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947552679 719209510 /nfs/dbraw/zinc/20/95/10/719209510.db2.gz XAYJRFUVOLZTQR-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930772 719310413 /nfs/dbraw/zinc/31/04/13/719310413.db2.gz VCNZZJIFLSNPRZ-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930772 719310417 /nfs/dbraw/zinc/31/04/17/719310417.db2.gz VCNZZJIFLSNPRZ-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000969154568 719979804 /nfs/dbraw/zinc/97/98/04/719979804.db2.gz SPACQRCXMMMPLU-LLVKDONJSA-N 2 2 312.801 1.293 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000969457866 720140653 /nfs/dbraw/zinc/14/06/53/720140653.db2.gz YXXGTBXDZPZHTQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000969457866 720140656 /nfs/dbraw/zinc/14/06/56/720140656.db2.gz YXXGTBXDZPZHTQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969995256 720590466 /nfs/dbraw/zinc/59/04/66/720590466.db2.gz CPORCPZRMZTXQP-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996051 720591102 /nfs/dbraw/zinc/59/11/02/720591102.db2.gz HKAPWRIFNBCFAS-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000950508910 720663514 /nfs/dbraw/zinc/66/35/14/720663514.db2.gz WHKMNZDBXRXQRF-GOSISDBHSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000950508910 720663517 /nfs/dbraw/zinc/66/35/17/720663517.db2.gz WHKMNZDBXRXQRF-GOSISDBHSA-N 2 2 317.477 1.949 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000950690713 720736626 /nfs/dbraw/zinc/73/66/26/720736626.db2.gz PHXJDZSUEDNOKW-UHFFFAOYSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407840 720750458 /nfs/dbraw/zinc/75/04/58/720750458.db2.gz QJNZRQQHEPXBTN-OCCSQVGLSA-N 2 2 302.422 1.842 20 30 DDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503365 733602285 /nfs/dbraw/zinc/60/22/85/733602285.db2.gz MOATWYAZCBPJJZ-WMZOPIPTSA-N 2 2 314.433 1.515 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423758 734529143 /nfs/dbraw/zinc/52/91/43/734529143.db2.gz HRRPAHMVTBWTOK-TXEJJXNPSA-N 2 2 304.781 1.937 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976571 738895984 /nfs/dbraw/zinc/89/59/84/738895984.db2.gz DDUNGTHBGLGLAN-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976571 738895986 /nfs/dbraw/zinc/89/59/86/738895986.db2.gz DDUNGTHBGLGLAN-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321445 736094829 /nfs/dbraw/zinc/09/48/29/736094829.db2.gz UGJNOSQKNBTKFA-PVAVHDDUSA-N 2 2 314.433 1.512 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087321445 736094832 /nfs/dbraw/zinc/09/48/32/736094832.db2.gz UGJNOSQKNBTKFA-PVAVHDDUSA-N 2 2 314.433 1.512 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273366 736403848 /nfs/dbraw/zinc/40/38/48/736403848.db2.gz DIEODCXWBWGGMV-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273366 736403850 /nfs/dbraw/zinc/40/38/50/736403850.db2.gz DIEODCXWBWGGMV-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]12 ZINC001026293430 737308971 /nfs/dbraw/zinc/30/89/71/737308971.db2.gz DKEAZWYDAZCCHP-OWCLPIDISA-N 2 2 314.433 1.386 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038367450 737452604 /nfs/dbraw/zinc/45/26/04/737452604.db2.gz MCFDNZVBHVBLLY-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038367450 737452605 /nfs/dbraw/zinc/45/26/05/737452605.db2.gz MCFDNZVBHVBLLY-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038367450 737452607 /nfs/dbraw/zinc/45/26/07/737452607.db2.gz MCFDNZVBHVBLLY-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038367450 737452608 /nfs/dbraw/zinc/45/26/08/737452608.db2.gz MCFDNZVBHVBLLY-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038367713 737454752 /nfs/dbraw/zinc/45/47/52/737454752.db2.gz MTOFZKDLFQCPAQ-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038367713 737454756 /nfs/dbraw/zinc/45/47/56/737454756.db2.gz MTOFZKDLFQCPAQ-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038367713 737454759 /nfs/dbraw/zinc/45/47/59/737454759.db2.gz MTOFZKDLFQCPAQ-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038367713 737454762 /nfs/dbraw/zinc/45/47/62/737454762.db2.gz MTOFZKDLFQCPAQ-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001026562643 737660122 /nfs/dbraw/zinc/66/01/22/737660122.db2.gz LPJIXYKPDIIMQO-NEXFUWMNSA-N 2 2 302.422 1.727 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468233 738321350 /nfs/dbraw/zinc/32/13/50/738321350.db2.gz HPXWSFXGUXZAMM-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468233 738321354 /nfs/dbraw/zinc/32/13/54/738321354.db2.gz HPXWSFXGUXZAMM-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027979626 738901520 /nfs/dbraw/zinc/90/15/20/738901520.db2.gz FTIVYLYEXDYZOD-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001035361651 751446559 /nfs/dbraw/zinc/44/65/59/751446559.db2.gz OEJGPKJHPFFOPO-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361651 751446562 /nfs/dbraw/zinc/44/65/62/751446562.db2.gz OEJGPKJHPFFOPO-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035361651 751446569 /nfs/dbraw/zinc/44/65/69/751446569.db2.gz OEJGPKJHPFFOPO-JKSUJKDBSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592553 751469694 /nfs/dbraw/zinc/46/96/94/751469694.db2.gz PYEBRFONMDZHCE-GJZGRUSLSA-N 2 2 303.406 1.816 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050851 740969073 /nfs/dbraw/zinc/96/90/73/740969073.db2.gz YILUEBHSMXDDMT-CVEARBPZSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135650 741054808 /nfs/dbraw/zinc/05/48/08/741054808.db2.gz UZGZUHIAOODNJG-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135650 741054812 /nfs/dbraw/zinc/05/48/12/741054812.db2.gz UZGZUHIAOODNJG-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135650 741054815 /nfs/dbraw/zinc/05/48/15/741054815.db2.gz UZGZUHIAOODNJG-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135650 741054819 /nfs/dbraw/zinc/05/48/19/741054819.db2.gz UZGZUHIAOODNJG-OAGGEKHMSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337625 741410648 /nfs/dbraw/zinc/41/06/48/741410648.db2.gz KFQPIVXMOPHDDJ-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001032827180 743348720 /nfs/dbraw/zinc/34/87/20/743348720.db2.gz RJTWEWDYUZVNLS-GQGLESIBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001032827180 743348730 /nfs/dbraw/zinc/34/87/30/743348730.db2.gz RJTWEWDYUZVNLS-GQGLESIBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001032827180 743348737 /nfs/dbraw/zinc/34/87/37/743348737.db2.gz RJTWEWDYUZVNLS-GQGLESIBSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001032827180 743348745 /nfs/dbraw/zinc/34/87/45/743348745.db2.gz RJTWEWDYUZVNLS-GQGLESIBSA-N 2 2 303.450 1.321 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035763329 751847048 /nfs/dbraw/zinc/84/70/48/751847048.db2.gz TUWJIQXBZBHSPH-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001105723915 743761339 /nfs/dbraw/zinc/76/13/39/743761339.db2.gz KBJRJINZEZCQHT-UHFFFAOYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271725 743813907 /nfs/dbraw/zinc/81/39/07/743813907.db2.gz OXEMGEWIGZGPFX-CXAGYDPISA-N 2 2 304.438 1.911 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183298715 743816017 /nfs/dbraw/zinc/81/60/17/743816017.db2.gz YCNHFTQMYNTVKJ-RHSMWYFYSA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001183782071 743909630 /nfs/dbraw/zinc/90/96/30/743909630.db2.gz GHYHWSNOKUZSBY-ZIAGYGMSSA-N 2 2 300.406 1.037 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001183782071 743909632 /nfs/dbraw/zinc/90/96/32/743909632.db2.gz GHYHWSNOKUZSBY-ZIAGYGMSSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491758 744236176 /nfs/dbraw/zinc/23/61/76/744236176.db2.gz JLWSGEUDUHVKSV-CABCVRRESA-N 2 2 316.449 1.785 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185574236 744249664 /nfs/dbraw/zinc/24/96/64/744249664.db2.gz PWESCHLEMKZHEH-UKRRQHHQSA-N 2 2 302.422 1.358 20 30 DDEDLP C=C(C)C[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001030737157 744550201 /nfs/dbraw/zinc/55/02/01/744550201.db2.gz OHGBMASRJQNUPW-UHFFFAOYSA-N 2 2 301.434 1.781 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990034 745397775 /nfs/dbraw/zinc/39/77/75/745397775.db2.gz WNBLMXPLQMMPMX-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990034 745397776 /nfs/dbraw/zinc/39/77/76/745397776.db2.gz WNBLMXPLQMMPMX-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239587 746312773 /nfs/dbraw/zinc/31/27/73/746312773.db2.gz JFDXFZFXDYFTSX-CABCVRRESA-N 2 2 302.422 1.866 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001007375782 752116585 /nfs/dbraw/zinc/11/65/85/752116585.db2.gz UGSRMLDELSBQMI-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001007375782 752116590 /nfs/dbraw/zinc/11/65/90/752116590.db2.gz UGSRMLDELSBQMI-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375782 752116595 /nfs/dbraw/zinc/11/65/95/752116595.db2.gz UGSRMLDELSBQMI-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375782 752116601 /nfs/dbraw/zinc/11/66/01/752116601.db2.gz UGSRMLDELSBQMI-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240847 746745066 /nfs/dbraw/zinc/74/50/66/746745066.db2.gz PNBNNQDQYRDZQM-HUUCEWRRSA-N 2 2 302.422 1.866 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001032837154 747085043 /nfs/dbraw/zinc/08/50/43/747085043.db2.gz RJTWEWDYUZVNLS-BACDZXNISA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001032837154 747085048 /nfs/dbraw/zinc/08/50/48/747085048.db2.gz RJTWEWDYUZVNLS-BACDZXNISA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001032837154 747085054 /nfs/dbraw/zinc/08/50/54/747085054.db2.gz RJTWEWDYUZVNLS-BACDZXNISA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001032837154 747085059 /nfs/dbraw/zinc/08/50/59/747085059.db2.gz RJTWEWDYUZVNLS-BACDZXNISA-N 2 2 303.450 1.321 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547626 747362413 /nfs/dbraw/zinc/36/24/13/747362413.db2.gz PMBWQLWELPERJN-TZMCWYRMSA-N 2 2 322.840 1.612 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525176 748540970 /nfs/dbraw/zinc/54/09/70/748540970.db2.gz QMJIUFAKKNONKT-LSDHHAIUSA-N 2 2 306.410 1.227 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524924 748541517 /nfs/dbraw/zinc/54/15/17/748541517.db2.gz NHWDLKHQQXZVBY-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880713 748670690 /nfs/dbraw/zinc/67/06/90/748670690.db2.gz NIPGLCSSWCUNSW-XGUBFFRZSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880713 748670694 /nfs/dbraw/zinc/67/06/94/748670694.db2.gz NIPGLCSSWCUNSW-XGUBFFRZSA-N 2 2 300.406 1.307 20 30 DDEDLP CN(C)C=[NH+]c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1C#N ZINC001168741313 748746644 /nfs/dbraw/zinc/74/66/44/748746644.db2.gz WWQQHFDMHBJFEO-XDHOZWIPSA-N 3 2 313.409 1.374 20 30 DDEDLP CO/N=C/c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc(F)c1F ZINC001168746376 748803102 /nfs/dbraw/zinc/80/31/02/748803102.db2.gz MPTXOAJTZDBAFE-GIJQJNRQSA-N 2 2 311.336 1.539 20 30 DDEDLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C#N ZINC001168746336 748805875 /nfs/dbraw/zinc/80/58/75/748805875.db2.gz KQCNIMBQSIRWNO-UHFFFAOYSA-N 2 2 302.338 1.369 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000995845186 749257849 /nfs/dbraw/zinc/25/78/49/749257849.db2.gz IJMINKQWRWBLMN-OAHLLOKOSA-N 2 2 316.449 1.775 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430392 749351494 /nfs/dbraw/zinc/35/14/94/749351494.db2.gz RMRQTQMLJDNDIL-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033430392 749351497 /nfs/dbraw/zinc/35/14/97/749351497.db2.gz RMRQTQMLJDNDIL-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC000996326548 749513942 /nfs/dbraw/zinc/51/39/42/749513942.db2.gz REMDOCPXRGOMFV-NFAWXSAZSA-N 2 2 302.422 1.536 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001033689439 749728523 /nfs/dbraw/zinc/72/85/23/749728523.db2.gz YTDKAAIVSCEELN-INIZCTEOSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001033689439 749728526 /nfs/dbraw/zinc/72/85/26/749728526.db2.gz YTDKAAIVSCEELN-INIZCTEOSA-N 2 2 323.868 1.617 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033877161 750015596 /nfs/dbraw/zinc/01/55/96/750015596.db2.gz ATNSTTCYYULQGX-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033877161 750015604 /nfs/dbraw/zinc/01/56/04/750015604.db2.gz ATNSTTCYYULQGX-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939547 750186359 /nfs/dbraw/zinc/18/63/59/750186359.db2.gz IHUXTEUUQOHWSD-NVXWUHKLSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939547 750186365 /nfs/dbraw/zinc/18/63/65/750186365.db2.gz IHUXTEUUQOHWSD-NVXWUHKLSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034673480 750656391 /nfs/dbraw/zinc/65/63/91/750656391.db2.gz AYFDFVBJFBJPNC-RBSFLKMASA-N 2 2 300.406 1.096 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997641659 751174380 /nfs/dbraw/zinc/17/43/80/751174380.db2.gz HSNGQQKNVYDNLH-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035241672 751324127 /nfs/dbraw/zinc/32/41/27/751324127.db2.gz MQILKTIXACNCIO-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035241672 751324132 /nfs/dbraw/zinc/32/41/32/751324132.db2.gz MQILKTIXACNCIO-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000999638074 753033000 /nfs/dbraw/zinc/03/30/00/753033000.db2.gz NTGQXMKCDKFDRM-UHFFFAOYSA-N 2 2 311.389 1.646 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000999639089 753034019 /nfs/dbraw/zinc/03/40/19/753034019.db2.gz UJYXKBLISCVRAO-UHFFFAOYSA-N 2 2 308.385 1.698 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108007861 753495623 /nfs/dbraw/zinc/49/56/23/753495623.db2.gz JFWAERONUVXZQP-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007861 753495627 /nfs/dbraw/zinc/49/56/27/753495627.db2.gz JFWAERONUVXZQP-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007861 753495631 /nfs/dbraw/zinc/49/56/31/753495631.db2.gz JFWAERONUVXZQP-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007861 753495636 /nfs/dbraw/zinc/49/56/36/753495636.db2.gz JFWAERONUVXZQP-WBVHZDCISA-N 2 2 309.454 1.254 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369966 753821929 /nfs/dbraw/zinc/82/19/29/753821929.db2.gz QQYYGQLEJKCMNJ-IAGOWNOFSA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369966 753821934 /nfs/dbraw/zinc/82/19/34/753821934.db2.gz QQYYGQLEJKCMNJ-IAGOWNOFSA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010369966 753821940 /nfs/dbraw/zinc/82/19/40/753821940.db2.gz QQYYGQLEJKCMNJ-IAGOWNOFSA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010369966 753821946 /nfs/dbraw/zinc/82/19/46/753821946.db2.gz QQYYGQLEJKCMNJ-IAGOWNOFSA-N 2 2 312.417 1.343 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854082 762270704 /nfs/dbraw/zinc/27/07/04/762270704.db2.gz FNFSSLOEOAQNNK-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854082 762270709 /nfs/dbraw/zinc/27/07/09/762270709.db2.gz FNFSSLOEOAQNNK-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078830290 754424746 /nfs/dbraw/zinc/42/47/46/754424746.db2.gz WBNTZLFHNHKSKO-STQMWFEESA-N 2 2 308.813 1.653 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710419 755541853 /nfs/dbraw/zinc/54/18/53/755541853.db2.gz HZCKIISXTKLNTF-BYCMXARLSA-N 2 2 311.857 1.517 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079710419 755541855 /nfs/dbraw/zinc/54/18/55/755541855.db2.gz HZCKIISXTKLNTF-BYCMXARLSA-N 2 2 311.857 1.517 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001079878272 755617400 /nfs/dbraw/zinc/61/74/00/755617400.db2.gz PRRXKYLQODDMJL-NXHRZFHOSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001079878272 755617405 /nfs/dbraw/zinc/61/74/05/755617405.db2.gz PRRXKYLQODDMJL-NXHRZFHOSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001079878272 755617409 /nfs/dbraw/zinc/61/74/09/755617409.db2.gz PRRXKYLQODDMJL-NXHRZFHOSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001079878272 755617411 /nfs/dbraw/zinc/61/74/11/755617411.db2.gz PRRXKYLQODDMJL-NXHRZFHOSA-N 2 2 317.477 1.711 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470893 755931545 /nfs/dbraw/zinc/93/15/45/755931545.db2.gz CAEUEODPUFINHD-KLHDSHLOSA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470893 755931549 /nfs/dbraw/zinc/93/15/49/755931549.db2.gz CAEUEODPUFINHD-KLHDSHLOSA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015014611 756072369 /nfs/dbraw/zinc/07/23/69/756072369.db2.gz OVAVTCUTQHJPBP-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015014611 756072372 /nfs/dbraw/zinc/07/23/72/756072372.db2.gz OVAVTCUTQHJPBP-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015014611 756072376 /nfs/dbraw/zinc/07/23/76/756072376.db2.gz OVAVTCUTQHJPBP-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015014611 756072380 /nfs/dbraw/zinc/07/23/80/756072380.db2.gz OVAVTCUTQHJPBP-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001016684156 757265136 /nfs/dbraw/zinc/26/51/36/757265136.db2.gz ZXNPMEPXWZBCEH-MRXNPFEDSA-N 2 2 315.417 1.789 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001016695827 757276004 /nfs/dbraw/zinc/27/60/04/757276004.db2.gz SYGIXRHWWMNBKL-LSDHHAIUSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052725561 757692249 /nfs/dbraw/zinc/69/22/49/757692249.db2.gz SJZGCMDJHOAWLC-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052725561 757692257 /nfs/dbraw/zinc/69/22/57/757692257.db2.gz SJZGCMDJHOAWLC-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552544 762590278 /nfs/dbraw/zinc/59/02/78/762590278.db2.gz LRPZEQCEKHHRBX-MRXNPFEDSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040552544 762590282 /nfs/dbraw/zinc/59/02/82/762590282.db2.gz LRPZEQCEKHHRBX-MRXNPFEDSA-N 2 2 322.840 1.950 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084974432 758118327 /nfs/dbraw/zinc/11/83/27/758118327.db2.gz ZCULZQDJVYJNJR-PMPSAXMXSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084974432 758118337 /nfs/dbraw/zinc/11/83/37/758118337.db2.gz ZCULZQDJVYJNJR-PMPSAXMXSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851890 758298698 /nfs/dbraw/zinc/29/86/98/758298698.db2.gz JAXLHWQIVUCFHZ-OIISXLGYSA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001017851890 758298705 /nfs/dbraw/zinc/29/87/05/758298705.db2.gz JAXLHWQIVUCFHZ-OIISXLGYSA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248698 759197009 /nfs/dbraw/zinc/19/70/09/759197009.db2.gz VQNVDVORXONIJA-FVQBIDKESA-N 2 2 302.422 1.649 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001054670547 759968879 /nfs/dbraw/zinc/96/88/79/759968879.db2.gz IDHXLOSJJDLDRX-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676704 759978817 /nfs/dbraw/zinc/97/88/17/759978817.db2.gz WFYCOMPFRBVFGD-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676704 759978821 /nfs/dbraw/zinc/97/88/21/759978821.db2.gz WFYCOMPFRBVFGD-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312945 760782822 /nfs/dbraw/zinc/78/28/22/760782822.db2.gz ZDORUPBLSWDNAL-JHJVBQTASA-N 2 2 308.813 1.435 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556103 761195617 /nfs/dbraw/zinc/19/56/17/761195617.db2.gz CRUSXUYZBKGIAZ-QGZVFWFLSA-N 2 2 308.385 1.700 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556103 761195620 /nfs/dbraw/zinc/19/56/20/761195620.db2.gz CRUSXUYZBKGIAZ-QGZVFWFLSA-N 2 2 308.385 1.700 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC#Cc2ccccc2)C1 ZINC001039005861 761638102 /nfs/dbraw/zinc/63/81/02/761638102.db2.gz IMGFNRHJWDBNTG-MSOLQXFVSA-N 2 2 311.429 1.180 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC#Cc2ccccc2)C1 ZINC001039005861 761638104 /nfs/dbraw/zinc/63/81/04/761638104.db2.gz IMGFNRHJWDBNTG-MSOLQXFVSA-N 2 2 311.429 1.180 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001039005861 761638105 /nfs/dbraw/zinc/63/81/05/761638105.db2.gz IMGFNRHJWDBNTG-MSOLQXFVSA-N 2 2 311.429 1.180 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001039005861 761638107 /nfs/dbraw/zinc/63/81/07/761638107.db2.gz IMGFNRHJWDBNTG-MSOLQXFVSA-N 2 2 311.429 1.180 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785669 762926710 /nfs/dbraw/zinc/92/67/10/762926710.db2.gz LMQGAQVDDLSRGB-ZNMIVQPWSA-N 2 2 318.421 1.124 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001539786 762944972 /nfs/dbraw/zinc/94/49/72/762944972.db2.gz SBQZSFTWJLFDKT-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524951 763103538 /nfs/dbraw/zinc/10/35/38/763103538.db2.gz ZKKROVKHMWRRKL-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524951 763103544 /nfs/dbraw/zinc/10/35/44/763103544.db2.gz ZKKROVKHMWRRKL-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001051074701 764479745 /nfs/dbraw/zinc/47/97/45/764479745.db2.gz CNTKTMKVFHDUIX-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001051074701 764479753 /nfs/dbraw/zinc/47/97/53/764479753.db2.gz CNTKTMKVFHDUIX-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001051074701 764479762 /nfs/dbraw/zinc/47/97/62/764479762.db2.gz CNTKTMKVFHDUIX-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001051074701 764479772 /nfs/dbraw/zinc/47/97/72/764479772.db2.gz CNTKTMKVFHDUIX-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739500 764684368 /nfs/dbraw/zinc/68/43/68/764684368.db2.gz AAEIXOAUYVNLCI-MRXNPFEDSA-N 2 2 311.470 1.432 20 30 DDEDLP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739500 764684375 /nfs/dbraw/zinc/68/43/75/764684375.db2.gz AAEIXOAUYVNLCI-MRXNPFEDSA-N 2 2 311.470 1.432 20 30 DDEDLP C=CCC[NH+]1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001043879237 765144209 /nfs/dbraw/zinc/14/42/09/765144209.db2.gz IXNNYJURQPLZQH-UHFFFAOYSA-N 2 2 318.421 1.603 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113040552 765177626 /nfs/dbraw/zinc/17/76/26/765177626.db2.gz ONYMBJIQXUSCKI-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419071 765675695 /nfs/dbraw/zinc/67/56/95/765675695.db2.gz LUYJIXBNMVPFST-IAGOWNOFSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419071 765675696 /nfs/dbraw/zinc/67/56/96/765675696.db2.gz LUYJIXBNMVPFST-IAGOWNOFSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504741 765896163 /nfs/dbraw/zinc/89/61/63/765896163.db2.gz ICLDWTHBDPXOFH-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504741 765896166 /nfs/dbraw/zinc/89/61/66/765896166.db2.gz ICLDWTHBDPXOFH-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505388 765898042 /nfs/dbraw/zinc/89/80/42/765898042.db2.gz LSVPTXBUKVHTES-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505388 765898046 /nfs/dbraw/zinc/89/80/46/765898046.db2.gz LSVPTXBUKVHTES-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001047265677 768347078 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BCNWAIODJIMPNA-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242279 769621630 /nfs/dbraw/zinc/62/16/30/769621630.db2.gz QATXBUXWYZRXPR-ZIAGYGMSSA-N 2 2 304.438 1.948 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133353373 769734966 /nfs/dbraw/zinc/73/49/66/769734966.db2.gz AEZJDYCOGUJVRO-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611494 771016547 /nfs/dbraw/zinc/01/65/47/771016547.db2.gz GYUDTWJVZSMWDS-CVEARBPZSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611494 771016554 /nfs/dbraw/zinc/01/65/54/771016554.db2.gz GYUDTWJVZSMWDS-CVEARBPZSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049846228 771203772 /nfs/dbraw/zinc/20/37/72/771203772.db2.gz FRGZFADSVMASDT-UONOGXRCSA-N 2 2 302.422 1.939 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049846228 771203773 /nfs/dbraw/zinc/20/37/73/771203773.db2.gz FRGZFADSVMASDT-UONOGXRCSA-N 2 2 302.422 1.939 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055994 771296113 /nfs/dbraw/zinc/29/61/13/771296113.db2.gz IWXVKXBXXSUTJI-CABCVRRESA-N 2 2 322.453 1.428 20 30 DDEDLP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135576074 771592383 /nfs/dbraw/zinc/59/23/83/771592383.db2.gz PQCCJDAKHPGRTA-HZPDHXFCSA-N 2 2 324.428 1.877 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146716309 772925378 /nfs/dbraw/zinc/92/53/78/772925378.db2.gz YYVDTLOGXODRIH-HOTGVXAUSA-N 2 2 322.453 1.739 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608222 774187541 /nfs/dbraw/zinc/18/75/41/774187541.db2.gz LTLKVVSMRXSZBI-RHSMWYFYSA-N 2 2 324.428 1.964 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092608222 774187544 /nfs/dbraw/zinc/18/75/44/774187544.db2.gz LTLKVVSMRXSZBI-RHSMWYFYSA-N 2 2 324.428 1.964 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100049242 775619230 /nfs/dbraw/zinc/61/92/30/775619230.db2.gz ZHIQVJASIJRMMY-HUUCEWRRSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100049242 775619235 /nfs/dbraw/zinc/61/92/35/775619235.db2.gz ZHIQVJASIJRMMY-HUUCEWRRSA-N 2 2 320.437 1.250 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882343 775948944 /nfs/dbraw/zinc/94/89/44/775948944.db2.gz KLWHQYDWGMCQHH-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882343 775948953 /nfs/dbraw/zinc/94/89/53/775948953.db2.gz KLWHQYDWGMCQHH-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441288 776159988 /nfs/dbraw/zinc/15/99/88/776159988.db2.gz KHNFNNMTIZWZLO-UHFFFAOYSA-N 2 2 304.438 1.987 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100461350 776188317 /nfs/dbraw/zinc/18/83/17/776188317.db2.gz VBMIXFALHFMYLP-SHARSMKWSA-N 2 2 314.433 1.331 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100461350 776188320 /nfs/dbraw/zinc/18/83/20/776188320.db2.gz VBMIXFALHFMYLP-SHARSMKWSA-N 2 2 314.433 1.331 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970262 776947074 /nfs/dbraw/zinc/94/70/74/776947074.db2.gz DSHBYDJUJXWMJB-KKUMJFAQSA-N 2 2 322.453 1.962 20 30 DDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970262 776947077 /nfs/dbraw/zinc/94/70/77/776947077.db2.gz DSHBYDJUJXWMJB-KKUMJFAQSA-N 2 2 322.453 1.962 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001174681960 777549684 /nfs/dbraw/zinc/54/96/84/777549684.db2.gz CXSYFQTXUKCZCB-UHFFFAOYSA-N 2 2 317.418 1.490 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]c(C)n1 ZINC001102016306 777798422 /nfs/dbraw/zinc/79/84/22/777798422.db2.gz OHSANRKZQCIKBP-HNNXBMFYSA-N 2 2 315.421 1.061 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]c(C)n1 ZINC001102016306 777798424 /nfs/dbraw/zinc/79/84/24/777798424.db2.gz OHSANRKZQCIKBP-HNNXBMFYSA-N 2 2 315.421 1.061 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112387025 779750057 /nfs/dbraw/zinc/75/00/57/779750057.db2.gz XSNIXNUJJLVJNY-YJBOKZPZSA-N 2 2 314.433 1.584 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112387025 779750061 /nfs/dbraw/zinc/75/00/61/779750061.db2.gz XSNIXNUJJLVJNY-YJBOKZPZSA-N 2 2 314.433 1.584 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770433 836806867 /nfs/dbraw/zinc/80/68/67/836806867.db2.gz VZXXEHNTDRFBID-INIZCTEOSA-N 2 2 302.422 1.515 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770433 836806876 /nfs/dbraw/zinc/80/68/76/836806876.db2.gz VZXXEHNTDRFBID-INIZCTEOSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267047985 837248442 /nfs/dbraw/zinc/24/84/42/837248442.db2.gz SDUUAGNKYAISSS-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267108024 837363619 /nfs/dbraw/zinc/36/36/19/837363619.db2.gz LTBGTYXNZIDELW-HNNXBMFYSA-N 2 2 310.401 1.894 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267108024 837363628 /nfs/dbraw/zinc/36/36/28/837363628.db2.gz LTBGTYXNZIDELW-HNNXBMFYSA-N 2 2 310.401 1.894 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586065 838370728 /nfs/dbraw/zinc/37/07/28/838370728.db2.gz JIVYWRXKHQIISA-CVEARBPZSA-N 2 2 314.433 1.249 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586065 838370729 /nfs/dbraw/zinc/37/07/29/838370729.db2.gz JIVYWRXKHQIISA-CVEARBPZSA-N 2 2 314.433 1.249 20 30 DDEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001268432138 840175269 /nfs/dbraw/zinc/17/52/69/840175269.db2.gz RKNWEZMXYLXYND-CQSZACIVSA-N 2 2 311.389 1.439 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083096 841186423 /nfs/dbraw/zinc/18/64/23/841186423.db2.gz AJBYRXDPCTWXDC-HZPDHXFCSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001269180501 841306941 /nfs/dbraw/zinc/30/69/41/841306941.db2.gz DQFDOUZPXYOIJS-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001269234546 841392473 /nfs/dbraw/zinc/39/24/73/841392473.db2.gz AUFXUNPNMDZNKF-INIZCTEOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001269234546 841392481 /nfs/dbraw/zinc/39/24/81/841392481.db2.gz AUFXUNPNMDZNKF-INIZCTEOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001269812388 842071731 /nfs/dbraw/zinc/07/17/31/842071731.db2.gz DVLVGVBITARMLA-LSDHHAIUSA-N 2 2 316.449 1.943 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001270442308 842578517 /nfs/dbraw/zinc/57/85/17/842578517.db2.gz KWTWEAWEPNRZSW-YOEHRIQHSA-N 2 2 316.449 1.876 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001270442308 842578523 /nfs/dbraw/zinc/57/85/23/842578523.db2.gz KWTWEAWEPNRZSW-YOEHRIQHSA-N 2 2 316.449 1.876 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001270658573 842784707 /nfs/dbraw/zinc/78/47/07/842784707.db2.gz QGFAOKNVOFVKKB-MRXNPFEDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001270658573 842784713 /nfs/dbraw/zinc/78/47/13/842784713.db2.gz QGFAOKNVOFVKKB-MRXNPFEDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001270658573 842784719 /nfs/dbraw/zinc/78/47/19/842784719.db2.gz QGFAOKNVOFVKKB-MRXNPFEDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001270658573 842784725 /nfs/dbraw/zinc/78/47/25/842784725.db2.gz QGFAOKNVOFVKKB-MRXNPFEDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001326655687 861514199 /nfs/dbraw/zinc/51/41/99/861514199.db2.gz PEBOVJIZIOWCAO-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326655687 861514208 /nfs/dbraw/zinc/51/42/08/861514208.db2.gz PEBOVJIZIOWCAO-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001326655687 861514225 /nfs/dbraw/zinc/51/42/25/861514225.db2.gz PEBOVJIZIOWCAO-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001272885452 847586373 /nfs/dbraw/zinc/58/63/73/847586373.db2.gz MMJUTQYJMMIWIQ-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001272885452 847586381 /nfs/dbraw/zinc/58/63/81/847586381.db2.gz MMJUTQYJMMIWIQ-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001272885452 847586384 /nfs/dbraw/zinc/58/63/84/847586384.db2.gz MMJUTQYJMMIWIQ-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001272885452 847586388 /nfs/dbraw/zinc/58/63/88/847586388.db2.gz MMJUTQYJMMIWIQ-JKSUJKDBSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(=C)C)C1 ZINC001034250442 848159308 /nfs/dbraw/zinc/15/93/08/848159308.db2.gz UTHLMIRRRBNHND-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(=C)C)C1 ZINC001034250442 848159311 /nfs/dbraw/zinc/15/93/11/848159311.db2.gz UTHLMIRRRBNHND-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(=C)C)C1 ZINC001034250442 848159317 /nfs/dbraw/zinc/15/93/17/848159317.db2.gz UTHLMIRRRBNHND-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(=C)C)C1 ZINC001034250442 848159323 /nfs/dbraw/zinc/15/93/23/848159323.db2.gz UTHLMIRRRBNHND-IRXDYDNUSA-N 2 2 303.450 1.631 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277799 848238051 /nfs/dbraw/zinc/23/80/51/848238051.db2.gz FOYPCNUFGMNDFA-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277799 848238059 /nfs/dbraw/zinc/23/80/59/848238059.db2.gz FOYPCNUFGMNDFA-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001410026997 848688424 /nfs/dbraw/zinc/68/84/24/848688424.db2.gz FXDITXGKKQVSFJ-ZDUSSCGKSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001410026997 848688430 /nfs/dbraw/zinc/68/84/30/848688430.db2.gz FXDITXGKKQVSFJ-ZDUSSCGKSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410026997 848688435 /nfs/dbraw/zinc/68/84/35/848688435.db2.gz FXDITXGKKQVSFJ-ZDUSSCGKSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410026997 848688437 /nfs/dbraw/zinc/68/84/37/848688437.db2.gz FXDITXGKKQVSFJ-ZDUSSCGKSA-N 2 2 301.862 1.906 20 30 DDEDLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001410471638 849376477 /nfs/dbraw/zinc/37/64/77/849376477.db2.gz QBRILKGCSJADDI-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274566068 852398713 /nfs/dbraw/zinc/39/87/13/852398713.db2.gz QHTBMXJKBIZKOZ-AWEZNQCLSA-N 2 2 320.437 1.108 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274566068 852398719 /nfs/dbraw/zinc/39/87/19/852398719.db2.gz QHTBMXJKBIZKOZ-AWEZNQCLSA-N 2 2 320.437 1.108 20 30 DDEDLP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001275250135 852930521 /nfs/dbraw/zinc/93/05/21/852930521.db2.gz DREARAAWLVOUGA-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592562 853408569 /nfs/dbraw/zinc/40/85/69/853408569.db2.gz NEEOFCKYZBTQIZ-ZDUSSCGKSA-N 2 2 316.405 1.816 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592562 853408572 /nfs/dbraw/zinc/40/85/72/853408572.db2.gz NEEOFCKYZBTQIZ-ZDUSSCGKSA-N 2 2 316.405 1.816 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001275609369 853430343 /nfs/dbraw/zinc/43/03/43/853430343.db2.gz QGMAMISIEVFZHD-UHFFFAOYSA-N 2 2 302.422 1.725 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001275609369 853430349 /nfs/dbraw/zinc/43/03/49/853430349.db2.gz QGMAMISIEVFZHD-UHFFFAOYSA-N 2 2 302.422 1.725 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202946857 860430653 /nfs/dbraw/zinc/43/06/53/860430653.db2.gz BNJPEYANWHNIMY-UHFFFAOYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001330425736 864334495 /nfs/dbraw/zinc/33/44/95/864334495.db2.gz MWCTYFYNGHOPME-GOEBONIOSA-N 2 2 320.437 1.134 20 30 DDEDLP N#CCC[NH2+]CC(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158556153 864726645 /nfs/dbraw/zinc/72/66/45/864726645.db2.gz VOBIHQXMFDAVOV-AEFFLSMTSA-N 2 2 312.417 1.095 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001331468586 865104627 /nfs/dbraw/zinc/10/46/27/865104627.db2.gz DBXCXYYPJZMING-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001331468586 865104631 /nfs/dbraw/zinc/10/46/31/865104631.db2.gz DBXCXYYPJZMING-ZFWWWQNUSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CCOCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001331538844 865143767 /nfs/dbraw/zinc/14/37/67/865143767.db2.gz HRFNLHUKHUXZAI-UHFFFAOYSA-N 2 2 302.418 1.600 20 30 DDEDLP C#CCOCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001331538844 865143774 /nfs/dbraw/zinc/14/37/74/865143774.db2.gz HRFNLHUKHUXZAI-UHFFFAOYSA-N 2 2 302.418 1.600 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001332273329 865717688 /nfs/dbraw/zinc/71/76/88/865717688.db2.gz WFEWAZYNCVGJPP-HIFRSBDPSA-N 2 2 301.390 1.140 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559455 865936853 /nfs/dbraw/zinc/93/68/53/865936853.db2.gz KEPLLJCJCTVEQU-UHFFFAOYSA-N 2 2 316.405 1.121 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001160559455 865936864 /nfs/dbraw/zinc/93/68/64/865936864.db2.gz KEPLLJCJCTVEQU-UHFFFAOYSA-N 2 2 316.405 1.121 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001323022581 866275515 /nfs/dbraw/zinc/27/55/15/866275515.db2.gz PPBUMUXNJRUAAR-HUUCEWRRSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C[C@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320311814 866634554 /nfs/dbraw/zinc/63/45/54/866634554.db2.gz IFJOGYVRWNWCNV-CQSZACIVSA-N 2 2 324.469 1.045 20 30 DDEDLP C=CCn1ccc2c1nc[nH+]c2NCCCN1CC[NH+](C)CC1 ZINC001161704003 866908990 /nfs/dbraw/zinc/90/89/90/866908990.db2.gz WJRKBRGGDJOYJA-UHFFFAOYSA-N 2 2 314.437 1.667 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]OC[C@@H]3CCOC3)cc2F)CC1 ZINC001320647296 866915211 /nfs/dbraw/zinc/91/52/11/866915211.db2.gz RUQCWBHRQBGONC-OAHLLOKOSA-N 2 2 321.396 1.965 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785811 866991475 /nfs/dbraw/zinc/99/14/75/866991475.db2.gz SUAWHILNHKIVOH-UHFFFAOYSA-N 2 2 300.406 1.422 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161785811 866991486 /nfs/dbraw/zinc/99/14/86/866991486.db2.gz SUAWHILNHKIVOH-UHFFFAOYSA-N 2 2 300.406 1.422 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001325597676 868167948 /nfs/dbraw/zinc/16/79/48/868167948.db2.gz XCPYIUAEBRVXLJ-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317038935 870148719 /nfs/dbraw/zinc/14/87/19/870148719.db2.gz MWZZMMMTTIXLFY-INIZCTEOSA-N 2 2 302.422 1.467 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317038935 870148723 /nfs/dbraw/zinc/14/87/23/870148723.db2.gz MWZZMMMTTIXLFY-INIZCTEOSA-N 2 2 302.422 1.467 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316682531 871043378 /nfs/dbraw/zinc/04/33/78/871043378.db2.gz YVWJJMSBGNSFQY-WBVHZDCISA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316682531 871043400 /nfs/dbraw/zinc/04/34/00/871043400.db2.gz YVWJJMSBGNSFQY-WBVHZDCISA-N 2 2 316.449 1.972 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341677051 871770346 /nfs/dbraw/zinc/77/03/46/871770346.db2.gz ISFHWFJHSREFFK-QGZVFWFLSA-N 3 2 322.497 1.345 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001318469304 872089886 /nfs/dbraw/zinc/08/98/86/872089886.db2.gz DHRBBXGVDREYCI-HZPDHXFCSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001318469304 872089901 /nfs/dbraw/zinc/08/99/01/872089901.db2.gz DHRBBXGVDREYCI-HZPDHXFCSA-N 2 2 316.449 1.953 20 30 DDEDLP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001316896614 872265809 /nfs/dbraw/zinc/26/58/09/872265809.db2.gz WNVCPRLBXXDUSL-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001316896614 872265820 /nfs/dbraw/zinc/26/58/20/872265820.db2.gz WNVCPRLBXXDUSL-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316909666 872327117 /nfs/dbraw/zinc/32/71/17/872327117.db2.gz SXPPYIXGFAOBPC-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316909666 872327139 /nfs/dbraw/zinc/32/71/39/872327139.db2.gz SXPPYIXGFAOBPC-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001316909666 872327160 /nfs/dbraw/zinc/32/71/60/872327160.db2.gz SXPPYIXGFAOBPC-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001316909666 872327175 /nfs/dbraw/zinc/32/71/75/872327175.db2.gz SXPPYIXGFAOBPC-AWEZNQCLSA-N 2 2 317.861 1.288 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001319363208 872596982 /nfs/dbraw/zinc/59/69/82/872596982.db2.gz UEKNVAFFGRRTSP-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCCC#N)[nH+]1 ZINC001319382902 872603692 /nfs/dbraw/zinc/60/36/92/872603692.db2.gz BVDDCTAETMLOPO-CQSZACIVSA-N 2 2 301.394 1.296 20 30 DDEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCCC#N)[nH+]1 ZINC001319382902 872603694 /nfs/dbraw/zinc/60/36/94/872603694.db2.gz BVDDCTAETMLOPO-CQSZACIVSA-N 2 2 301.394 1.296 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411035 874119820 /nfs/dbraw/zinc/11/98/20/874119820.db2.gz LFYQPCJPXFCJJP-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439242 874144411 /nfs/dbraw/zinc/14/44/11/874144411.db2.gz ORPWRZZHTWDQKA-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446950 874148550 /nfs/dbraw/zinc/14/85/50/874148550.db2.gz DNSYKXXTMMIXIS-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450644 874152932 /nfs/dbraw/zinc/15/29/32/874152932.db2.gz JBQOWXYFHPMWAZ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632394 876421121 /nfs/dbraw/zinc/42/11/21/876421121.db2.gz LPGVMYHMQBMVFZ-CZUORRHYSA-N 2 2 310.401 1.716 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215006589 876538010 /nfs/dbraw/zinc/53/80/10/876538010.db2.gz XKYKWLXHBOWIHB-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511654 876738904 /nfs/dbraw/zinc/73/89/04/876738904.db2.gz MRGHEEKNNHOISH-VNHYZAJKSA-N 2 2 300.406 1.289 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001276779250 877440007 /nfs/dbraw/zinc/44/00/07/877440007.db2.gz QLXBFWLGRUJCQM-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001276779250 877440017 /nfs/dbraw/zinc/44/00/17/877440017.db2.gz QLXBFWLGRUJCQM-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218560609 877567866 /nfs/dbraw/zinc/56/78/66/877567866.db2.gz STBJMYVXQJVLBQ-UHFFFAOYSA-N 2 2 303.410 1.395 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218788792 877727594 /nfs/dbraw/zinc/72/75/94/877727594.db2.gz YRXGFKILKSJOJV-HNNXBMFYSA-N 2 2 305.341 1.714 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001379694058 877759041 /nfs/dbraw/zinc/75/90/41/877759041.db2.gz NMWYIVKSOPNGPZ-OLZOCXBDSA-N 2 2 310.829 1.888 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853498 878547507 /nfs/dbraw/zinc/54/75/07/878547507.db2.gz YBIPLPDLZXYUCD-OAGGEKHMSA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853498 878547510 /nfs/dbraw/zinc/54/75/10/878547510.db2.gz YBIPLPDLZXYUCD-OAGGEKHMSA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001380659685 880138368 /nfs/dbraw/zinc/13/83/68/880138368.db2.gz ATXUKSIBUNSRMA-KBPBESRZSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224297819 881312767 /nfs/dbraw/zinc/31/27/67/881312767.db2.gz FZXKERFQABASLE-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224297819 881312785 /nfs/dbraw/zinc/31/27/85/881312785.db2.gz FZXKERFQABASLE-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948718 888678485 /nfs/dbraw/zinc/67/84/85/888678485.db2.gz NEAVCCXOMAGPIC-GOSISDBHSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948718 888678489 /nfs/dbraw/zinc/67/84/89/888678489.db2.gz NEAVCCXOMAGPIC-GOSISDBHSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277948718 888678491 /nfs/dbraw/zinc/67/84/91/888678491.db2.gz NEAVCCXOMAGPIC-GOSISDBHSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277948718 888678496 /nfs/dbraw/zinc/67/84/96/888678496.db2.gz NEAVCCXOMAGPIC-GOSISDBHSA-N 2 2 320.481 1.946 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Cl ZINC001238087325 890021935 /nfs/dbraw/zinc/02/19/35/890021935.db2.gz ZUWNXQBBIBHOEQ-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Cl ZINC001238087325 890021949 /nfs/dbraw/zinc/02/19/49/890021949.db2.gz ZUWNXQBBIBHOEQ-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246152713 892445477 /nfs/dbraw/zinc/44/54/77/892445477.db2.gz NRTYDRQFBBENAQ-BBRMVZONSA-N 2 2 303.406 1.749 20 30 DDEDLP N#Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763533 892872959 /nfs/dbraw/zinc/87/29/59/892872959.db2.gz BJZJNQHJFLKGEK-PKOBYXMFSA-N 2 2 324.428 1.739 20 30 DDEDLP N#Cc1cccc(N2C[C@]3(CC[N@H+]([C@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763533 892872975 /nfs/dbraw/zinc/87/29/75/892872975.db2.gz BJZJNQHJFLKGEK-PKOBYXMFSA-N 2 2 324.428 1.739 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278569894 894290983 /nfs/dbraw/zinc/29/09/83/894290983.db2.gz ABLSOJZAHBLFBX-ZBFHGGJFSA-N 2 2 315.417 1.531 20 30 DDEDLP C#CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001251836268 894833713 /nfs/dbraw/zinc/83/37/13/894833713.db2.gz XALIHKMFEYGBHC-IBGZPJMESA-N 2 2 316.445 1.594 20 30 DDEDLP C#CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001251836268 894833730 /nfs/dbraw/zinc/83/37/30/894833730.db2.gz XALIHKMFEYGBHC-IBGZPJMESA-N 2 2 316.445 1.594 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598080 895306635 /nfs/dbraw/zinc/30/66/35/895306635.db2.gz IYBSUIUNPMJWKD-KZNAEPCWSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598080 895306651 /nfs/dbraw/zinc/30/66/51/895306651.db2.gz IYBSUIUNPMJWKD-KZNAEPCWSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598080 895306666 /nfs/dbraw/zinc/30/66/66/895306666.db2.gz IYBSUIUNPMJWKD-KZNAEPCWSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598080 895306682 /nfs/dbraw/zinc/30/66/82/895306682.db2.gz IYBSUIUNPMJWKD-KZNAEPCWSA-N 2 2 318.465 1.501 20 30 DDEDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254660665 896553127 /nfs/dbraw/zinc/55/31/27/896553127.db2.gz ZELMEULULGFEDW-HUUCEWRRSA-N 2 2 304.438 1.355 20 30 DDEDLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254660665 896553130 /nfs/dbraw/zinc/55/31/30/896553130.db2.gz ZELMEULULGFEDW-HUUCEWRRSA-N 2 2 304.438 1.355 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001389495765 897364073 /nfs/dbraw/zinc/36/40/73/897364073.db2.gz YOKBVWUZMVZOCW-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001389495765 897364086 /nfs/dbraw/zinc/36/40/86/897364086.db2.gz YOKBVWUZMVZOCW-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH+]cn1C ZINC001367773017 897736877 /nfs/dbraw/zinc/73/68/77/897736877.db2.gz VWEUBRYFFSAFOD-ZDUSSCGKSA-N 2 2 311.389 1.129 20 30 DDEDLP C#CC[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148062 898085970 /nfs/dbraw/zinc/08/59/70/898085970.db2.gz ZTPREFPMZFTHQR-UHFFFAOYSA-N 2 2 311.473 1.944 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001263835158 900750224 /nfs/dbraw/zinc/75/02/24/900750224.db2.gz IBINOPNQNSMSPA-BBWFWOEESA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001370196258 902720632 /nfs/dbraw/zinc/72/06/32/902720632.db2.gz FGXLXOGQLIABDL-KGLIPLIRSA-N 2 2 322.840 1.682 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266010043 902748880 /nfs/dbraw/zinc/74/88/80/902748880.db2.gz CSPCXISSNCMRLS-ZBFHGGJFSA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001391922032 902907605 /nfs/dbraw/zinc/90/76/05/902907605.db2.gz NUZQWKQXZRZNGO-WCQYABFASA-N 2 2 310.829 1.540 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001280129076 903522292 /nfs/dbraw/zinc/52/22/92/903522292.db2.gz UJUYDRRASGCZPP-CQSZACIVSA-N 2 2 324.856 1.933 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001393788391 907917987 /nfs/dbraw/zinc/91/79/87/907917987.db2.gz UCOSAACBFFSEOR-ZIAGYGMSSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001393788391 907918002 /nfs/dbraw/zinc/91/80/02/907918002.db2.gz UCOSAACBFFSEOR-ZIAGYGMSSA-N 2 2 310.829 1.995 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283904392 908161727 /nfs/dbraw/zinc/16/17/27/908161727.db2.gz FUEILEZAVCLLHP-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284024957 908335936 /nfs/dbraw/zinc/33/59/36/908335936.db2.gz GFRAOZPOUCYPBB-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284502476 909097929 /nfs/dbraw/zinc/09/79/29/909097929.db2.gz PIBYKENGVZYMDZ-RRFJBIMHSA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284502476 909097943 /nfs/dbraw/zinc/09/79/43/909097943.db2.gz PIBYKENGVZYMDZ-RRFJBIMHSA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284502476 909097960 /nfs/dbraw/zinc/09/79/60/909097960.db2.gz PIBYKENGVZYMDZ-RRFJBIMHSA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284502476 909097975 /nfs/dbraw/zinc/09/79/75/909097975.db2.gz PIBYKENGVZYMDZ-RRFJBIMHSA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566089 910007791 /nfs/dbraw/zinc/00/77/91/910007791.db2.gz IPCZPMFSMCUFDL-NSHDSACASA-N 2 2 315.215 1.228 20 30 DDEDLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329082093 539300871 /nfs/dbraw/zinc/30/08/71/539300871.db2.gz DKRXZMLNGRQAPX-AWEZNQCLSA-N 2 2 308.426 1.620 20 30 DDEDLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329082093 539300873 /nfs/dbraw/zinc/30/08/73/539300873.db2.gz DKRXZMLNGRQAPX-AWEZNQCLSA-N 2 2 308.426 1.620 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272816455 210217512 /nfs/dbraw/zinc/21/75/12/210217512.db2.gz FZLMOYJXAKXRDE-DOTOQJQBSA-N 2 2 301.434 1.931 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272816455 210217516 /nfs/dbraw/zinc/21/75/16/210217516.db2.gz FZLMOYJXAKXRDE-DOTOQJQBSA-N 2 2 301.434 1.931 20 30 DDEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)OCCO1 ZINC000182100581 199386128 /nfs/dbraw/zinc/38/61/28/199386128.db2.gz NOOPQWQZIZHRFV-UHFFFAOYSA-N 2 2 315.417 1.875 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926623 353782852 /nfs/dbraw/zinc/78/28/52/353782852.db2.gz BSXYQKKHLDHIAL-HNNXBMFYSA-N 2 2 317.437 1.131 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579489613 354719807 /nfs/dbraw/zinc/71/98/07/354719807.db2.gz AUBVXBXICFVTSE-JKIFEVAISA-N 2 2 317.437 1.652 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579489613 354719809 /nfs/dbraw/zinc/71/98/09/354719809.db2.gz AUBVXBXICFVTSE-JKIFEVAISA-N 2 2 317.437 1.652 20 30 DDEDLP Cc1cc(C#N)nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000587976320 354887887 /nfs/dbraw/zinc/88/78/87/354887887.db2.gz XVABUWWMTSUFKK-INIZCTEOSA-N 2 2 314.437 1.261 20 30 DDEDLP Cc1cc(C#N)nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000587976320 354887889 /nfs/dbraw/zinc/88/78/89/354887889.db2.gz XVABUWWMTSUFKK-INIZCTEOSA-N 2 2 314.437 1.261 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000591765465 355380224 /nfs/dbraw/zinc/38/02/24/355380224.db2.gz CIUXYGRDKYNFHQ-RNONSGAXSA-N 2 2 309.454 1.376 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000591765465 355380225 /nfs/dbraw/zinc/38/02/25/355380225.db2.gz CIUXYGRDKYNFHQ-RNONSGAXSA-N 2 2 309.454 1.376 20 30 DDEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049469 355779812 /nfs/dbraw/zinc/77/98/12/355779812.db2.gz AGCAGKIZOFPRDD-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049469 355779815 /nfs/dbraw/zinc/77/98/15/355779815.db2.gz AGCAGKIZOFPRDD-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@@H](CC#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000597304109 357128521 /nfs/dbraw/zinc/12/85/21/357128521.db2.gz MZXUSQAEDIBQAM-HNNXBMFYSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(C#N)cc1 ZINC000597990430 357408551 /nfs/dbraw/zinc/40/85/51/357408551.db2.gz VSWATMKWMUFBGI-UHFFFAOYSA-N 2 2 316.449 1.491 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(C#N)cc1 ZINC000597990430 357408555 /nfs/dbraw/zinc/40/85/55/357408555.db2.gz VSWATMKWMUFBGI-UHFFFAOYSA-N 2 2 316.449 1.491 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000598617832 357655569 /nfs/dbraw/zinc/65/55/69/357655569.db2.gz HWJBFRPRUWASAJ-HZPDHXFCSA-N 2 2 309.454 1.331 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000598617832 357655571 /nfs/dbraw/zinc/65/55/71/357655571.db2.gz HWJBFRPRUWASAJ-HZPDHXFCSA-N 2 2 309.454 1.331 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000598699701 357693495 /nfs/dbraw/zinc/69/34/95/357693495.db2.gz HWMVAQGUBTVCOI-QGZVFWFLSA-N 2 2 316.449 1.936 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908940 359287943 /nfs/dbraw/zinc/28/79/43/359287943.db2.gz XJROHSAGOLSHAJ-MRXNPFEDSA-N 2 2 302.422 1.445 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908940 359287947 /nfs/dbraw/zinc/28/79/47/359287947.db2.gz XJROHSAGOLSHAJ-MRXNPFEDSA-N 2 2 302.422 1.445 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330188820 223085294 /nfs/dbraw/zinc/08/52/94/223085294.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330188820 223085295 /nfs/dbraw/zinc/08/52/95/223085295.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188820 223085296 /nfs/dbraw/zinc/08/52/96/223085296.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188820 223085298 /nfs/dbraw/zinc/08/52/98/223085298.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330188820 223085299 /nfs/dbraw/zinc/08/52/99/223085299.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330188820 223085301 /nfs/dbraw/zinc/08/53/01/223085301.db2.gz LKSKELVJAAQHJP-MCIONIFRSA-N 2 2 303.410 1.328 20 30 DDEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862815 361608801 /nfs/dbraw/zinc/60/88/01/361608801.db2.gz YGGNEUDRTGYMHW-HNNXBMFYSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862815 361608807 /nfs/dbraw/zinc/60/88/07/361608807.db2.gz YGGNEUDRTGYMHW-HNNXBMFYSA-N 2 2 321.469 1.346 20 30 DDEDLP C=C[C@@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000619702423 364121723 /nfs/dbraw/zinc/12/17/23/364121723.db2.gz MIBRVMVPPAOPPW-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCOc1ccccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654577 422772195 /nfs/dbraw/zinc/77/21/95/422772195.db2.gz ZLNQOKRRVJSYMT-UHFFFAOYSA-N 2 2 300.362 1.496 20 30 DDEDLP CC[NH+]1CCC([N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000363148206 285187370 /nfs/dbraw/zinc/18/73/70/285187370.db2.gz HLDKYVRDNLAODM-SFHVURJKSA-N 2 2 318.465 1.744 20 30 DDEDLP CC[NH+]1CCC([N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)CC1 ZINC000363148206 285187373 /nfs/dbraw/zinc/18/73/73/285187373.db2.gz HLDKYVRDNLAODM-SFHVURJKSA-N 2 2 318.465 1.744 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000115546859 407687653 /nfs/dbraw/zinc/68/76/53/407687653.db2.gz RHOGHJOJQFXIBE-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000115546859 407687661 /nfs/dbraw/zinc/68/76/61/407687661.db2.gz RHOGHJOJQFXIBE-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP Cc1nc(N2CC[NH+](CCOc3ccccc3C#N)CC2)cc[nH+]1 ZINC000183808327 408493700 /nfs/dbraw/zinc/49/37/00/408493700.db2.gz CUESGNYMNZUPHI-UHFFFAOYSA-N 2 2 323.400 1.858 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248128213 408537550 /nfs/dbraw/zinc/53/75/50/408537550.db2.gz ODYJKPZTWPUDNV-VYDXJSESSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248128213 408537552 /nfs/dbraw/zinc/53/75/52/408537552.db2.gz ODYJKPZTWPUDNV-VYDXJSESSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248128213 408537556 /nfs/dbraw/zinc/53/75/56/408537556.db2.gz ODYJKPZTWPUDNV-VYDXJSESSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248128213 408537559 /nfs/dbraw/zinc/53/75/59/408537559.db2.gz ODYJKPZTWPUDNV-VYDXJSESSA-N 2 2 306.454 1.457 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277403503 408934884 /nfs/dbraw/zinc/93/48/84/408934884.db2.gz JZXFDKGTAADQJF-UHFFFAOYSA-N 2 2 317.437 1.766 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000277403503 408934888 /nfs/dbraw/zinc/93/48/88/408934888.db2.gz JZXFDKGTAADQJF-UHFFFAOYSA-N 2 2 317.437 1.766 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081642 408986419 /nfs/dbraw/zinc/98/64/19/408986419.db2.gz OCBFBRYICGQSFJ-GJZGRUSLSA-N 2 2 314.433 1.537 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081642 408986420 /nfs/dbraw/zinc/98/64/20/408986420.db2.gz OCBFBRYICGQSFJ-GJZGRUSLSA-N 2 2 314.433 1.537 20 30 DDEDLP CC#CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293052423 409049007 /nfs/dbraw/zinc/04/90/07/409049007.db2.gz HYJRUOUBFLYYCW-UHFFFAOYSA-N 2 2 300.406 1.075 20 30 DDEDLP CC#CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293052423 409049009 /nfs/dbraw/zinc/04/90/09/409049009.db2.gz HYJRUOUBFLYYCW-UHFFFAOYSA-N 2 2 300.406 1.075 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000316860476 164024649 /nfs/dbraw/zinc/02/46/49/164024649.db2.gz SYAXGBJFOSNKKW-HOTGVXAUSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000316860476 164024650 /nfs/dbraw/zinc/02/46/50/164024650.db2.gz SYAXGBJFOSNKKW-HOTGVXAUSA-N 2 2 301.390 1.520 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442023 409963627 /nfs/dbraw/zinc/96/36/27/409963627.db2.gz ZELQPXDRUZPWOW-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442023 409963632 /nfs/dbraw/zinc/96/36/32/409963632.db2.gz ZELQPXDRUZPWOW-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442023 409963637 /nfs/dbraw/zinc/96/36/37/409963637.db2.gz ZELQPXDRUZPWOW-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442023 409963645 /nfs/dbraw/zinc/96/36/45/409963645.db2.gz ZELQPXDRUZPWOW-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355093555 410311499 /nfs/dbraw/zinc/31/14/99/410311499.db2.gz FFBPWBIIXGBGQG-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355093555 410311506 /nfs/dbraw/zinc/31/15/06/410311506.db2.gz FFBPWBIIXGBGQG-KRWDZBQOSA-N 2 2 313.449 1.950 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)NC3CC3)CC2)cc1 ZINC000291033459 222087150 /nfs/dbraw/zinc/08/71/50/222087150.db2.gz FITYQKYZWRLRPI-UHFFFAOYSA-N 2 2 312.417 1.391 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361117195 418587224 /nfs/dbraw/zinc/58/72/24/418587224.db2.gz IIVLWZSIFQQCIQ-MAUKXSAKSA-N 2 2 324.465 1.975 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246539266 222223197 /nfs/dbraw/zinc/22/31/97/222223197.db2.gz KIZKZSKKGGWPRS-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246539266 222223201 /nfs/dbraw/zinc/22/32/01/222223201.db2.gz KIZKZSKKGGWPRS-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP CNC(N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)=[NH+]C ZINC000261862328 222260343 /nfs/dbraw/zinc/26/03/43/222260343.db2.gz ZMJWGPRHOQPQSI-ZDUSSCGKSA-N 2 2 306.410 1.073 20 30 DDEDLP CNC(N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)=[NH+]C ZINC000261862328 222260347 /nfs/dbraw/zinc/26/03/47/222260347.db2.gz ZMJWGPRHOQPQSI-ZDUSSCGKSA-N 2 2 306.410 1.073 20 30 DDEDLP CCc1ccc([C@@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)cc1 ZINC000264125620 222322812 /nfs/dbraw/zinc/32/28/12/222322812.db2.gz SDYCIVAXTGRNGA-MRXNPFEDSA-N 2 2 304.438 1.499 20 30 DDEDLP COc1ccc([C@@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C)cc1OC ZINC000264134782 222324215 /nfs/dbraw/zinc/32/42/15/222324215.db2.gz UYVOKELDKGIPRY-CQSZACIVSA-N 2 2 322.453 1.867 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCCS1 ZINC000262020583 222270770 /nfs/dbraw/zinc/27/07/70/222270770.db2.gz YTQVBYHIEIVZPN-LBPRGKRZSA-N 2 2 302.513 1.096 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NCc1nc(C)cs1 ZINC000262435910 222279498 /nfs/dbraw/zinc/27/94/98/222279498.db2.gz NBMHZJOYXKDHHN-UHFFFAOYSA-N 2 2 321.454 1.116 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376480340 418697492 /nfs/dbraw/zinc/69/74/92/418697492.db2.gz YDOORHGIKQHBTO-USXIJHARSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376480340 418697495 /nfs/dbraw/zinc/69/74/95/418697495.db2.gz YDOORHGIKQHBTO-USXIJHARSA-N 2 2 321.465 1.252 20 30 DDEDLP C#CCC(CC#C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376986043 418703664 /nfs/dbraw/zinc/70/36/64/418703664.db2.gz CDGWQPQQICPERS-INIZCTEOSA-N 2 2 315.461 1.276 20 30 DDEDLP C#CCC(CC#C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376986043 418703666 /nfs/dbraw/zinc/70/36/66/418703666.db2.gz CDGWQPQQICPERS-INIZCTEOSA-N 2 2 315.461 1.276 20 30 DDEDLP C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370296354 418742395 /nfs/dbraw/zinc/74/23/95/418742395.db2.gz ZJNKJYDSRPXVBB-LSDHHAIUSA-N 2 2 308.470 1.809 20 30 DDEDLP C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370296354 418742396 /nfs/dbraw/zinc/74/23/96/418742396.db2.gz ZJNKJYDSRPXVBB-LSDHHAIUSA-N 2 2 308.470 1.809 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297468545 227208167 /nfs/dbraw/zinc/20/81/67/227208167.db2.gz YFLXUDXUKYQZHX-UHFFFAOYSA-N 2 2 323.400 1.408 20 30 DDEDLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1c(F)cccc1F ZINC000424144127 228235399 /nfs/dbraw/zinc/23/53/99/228235399.db2.gz KQJWRZANIDLYEC-UONOGXRCSA-N 2 2 324.375 1.705 20 30 DDEDLP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423279130 420001321 /nfs/dbraw/zinc/00/13/21/420001321.db2.gz SEEVNFVZFFKSOL-HNNXBMFYSA-N 3 2 300.450 1.968 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000442792462 420714670 /nfs/dbraw/zinc/71/46/70/420714670.db2.gz QCXNCXITNJJUIK-SJORKVTESA-N 3 2 313.449 1.876 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCC1 ZINC000562825032 421418916 /nfs/dbraw/zinc/41/89/16/421418916.db2.gz JQAQQRRUNFMGQE-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCC1 ZINC000562825032 421418920 /nfs/dbraw/zinc/41/89/20/421418920.db2.gz JQAQQRRUNFMGQE-UHFFFAOYSA-N 2 2 321.469 1.348 20 30 DDEDLP CC(C)[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109758 421679759 /nfs/dbraw/zinc/67/97/59/421679759.db2.gz FJKPVNHQSRJTRD-ROUUACIJSA-N 2 2 324.513 1.539 20 30 DDEDLP CC(C)[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000519109758 421679762 /nfs/dbraw/zinc/67/97/62/421679762.db2.gz FJKPVNHQSRJTRD-ROUUACIJSA-N 2 2 324.513 1.539 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324124 424569616 /nfs/dbraw/zinc/56/96/16/424569616.db2.gz VCLQMJUAMYRILO-DLBZAZTESA-N 2 2 323.481 1.618 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324124 424569623 /nfs/dbraw/zinc/56/96/23/424569623.db2.gz VCLQMJUAMYRILO-DLBZAZTESA-N 2 2 323.481 1.618 20 30 DDEDLP C=CC[C@@]1(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662790276 424768449 /nfs/dbraw/zinc/76/84/49/424768449.db2.gz BTBPBHHYMZOZMF-UXLLHSPISA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[C@@]1(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662790276 424768451 /nfs/dbraw/zinc/76/84/51/424768451.db2.gz BTBPBHHYMZOZMF-UXLLHSPISA-N 2 2 309.454 1.252 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(=O)NC3)CC2)cc1 ZINC000344111114 268065702 /nfs/dbraw/zinc/06/57/02/268065702.db2.gz ULWVLNGLIHTWFE-QGZVFWFLSA-N 2 2 312.417 1.391 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343969517 297021762 /nfs/dbraw/zinc/02/17/62/297021762.db2.gz DPZWNHGHQNPYBY-IKGGRYGDSA-N 2 2 303.454 1.388 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343969517 297021763 /nfs/dbraw/zinc/02/17/63/297021763.db2.gz DPZWNHGHQNPYBY-IKGGRYGDSA-N 2 2 303.454 1.388 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371663197 307155847 /nfs/dbraw/zinc/15/58/47/307155847.db2.gz GJWPFHOVSWTPQP-GOSISDBHSA-N 2 2 314.433 1.054 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000574105769 308261172 /nfs/dbraw/zinc/26/11/72/308261172.db2.gz VAQUWZAMLDJPRI-HNNXBMFYSA-N 2 2 300.362 1.174 20 30 DDEDLP CC1(C#N)CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496405592 340004794 /nfs/dbraw/zinc/00/47/94/340004794.db2.gz ZZLHXAHEEDTHLJ-QGZVFWFLSA-N 2 2 318.421 1.486 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413247341 526430684 /nfs/dbraw/zinc/43/06/84/526430684.db2.gz VHXKAMITZLXGFN-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000490761597 526947599 /nfs/dbraw/zinc/94/75/99/526947599.db2.gz VGZVVVWQYKXQDJ-UHFFFAOYSA-N 2 2 319.836 1.549 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000490761597 526947604 /nfs/dbraw/zinc/94/76/04/526947604.db2.gz VGZVVVWQYKXQDJ-UHFFFAOYSA-N 2 2 319.836 1.549 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2c(C)cccc2C)CC1 ZINC000490949040 526949474 /nfs/dbraw/zinc/94/94/74/526949474.db2.gz ICQVLAKXZGOWMZ-QGZVFWFLSA-N 2 2 313.445 1.731 20 30 DDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491553652 527213245 /nfs/dbraw/zinc/21/32/45/527213245.db2.gz BNTKQPHYHQWIGG-OAHLLOKOSA-N 2 2 315.417 1.411 20 30 DDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491553652 527213251 /nfs/dbraw/zinc/21/32/51/527213251.db2.gz BNTKQPHYHQWIGG-OAHLLOKOSA-N 2 2 315.417 1.411 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000345504883 527646827 /nfs/dbraw/zinc/64/68/27/527646827.db2.gz FDVUWEOWGJCSKP-KGLIPLIRSA-N 2 2 315.408 1.798 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274199 696725248 /nfs/dbraw/zinc/72/52/48/696725248.db2.gz MZADIVZKRXCSHS-ARFHVFGLSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274199 696725249 /nfs/dbraw/zinc/72/52/49/696725249.db2.gz MZADIVZKRXCSHS-ARFHVFGLSA-N 2 2 300.406 1.123 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818779 695101884 /nfs/dbraw/zinc/10/18/84/695101884.db2.gz QVUAWPIWQHNCHT-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818779 695101886 /nfs/dbraw/zinc/10/18/86/695101886.db2.gz QVUAWPIWQHNCHT-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158215 695166320 /nfs/dbraw/zinc/16/63/20/695166320.db2.gz LSWJAXRXFLJDSQ-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158215 695166321 /nfs/dbraw/zinc/16/63/21/695166321.db2.gz LSWJAXRXFLJDSQ-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972158215 695166324 /nfs/dbraw/zinc/16/63/24/695166324.db2.gz LSWJAXRXFLJDSQ-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972158215 695166325 /nfs/dbraw/zinc/16/63/25/695166325.db2.gz LSWJAXRXFLJDSQ-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739567 695723155 /nfs/dbraw/zinc/72/31/55/695723155.db2.gz DVFHNXPCOCVZLF-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739567 695723157 /nfs/dbraw/zinc/72/31/57/695723157.db2.gz DVFHNXPCOCVZLF-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975038391 695782203 /nfs/dbraw/zinc/78/22/03/695782203.db2.gz DROORECHUCQQTL-UMVBOHGHSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975038391 695782206 /nfs/dbraw/zinc/78/22/06/695782206.db2.gz DROORECHUCQQTL-UMVBOHGHSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978156995 696333761 /nfs/dbraw/zinc/33/37/61/696333761.db2.gz IMAXIDOXGJHBEO-PHZGNYQRSA-N 2 2 310.401 1.736 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978156995 696333762 /nfs/dbraw/zinc/33/37/62/696333762.db2.gz IMAXIDOXGJHBEO-PHZGNYQRSA-N 2 2 310.401 1.736 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750266 696451990 /nfs/dbraw/zinc/45/19/90/696451990.db2.gz JIDGMTFKNHQHDB-ZQDZILKHSA-N 2 2 312.417 1.147 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750266 696451992 /nfs/dbraw/zinc/45/19/92/696451992.db2.gz JIDGMTFKNHQHDB-ZQDZILKHSA-N 2 2 312.417 1.147 20 30 DDEDLP Cn1cc(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000747838880 700089316 /nfs/dbraw/zinc/08/93/16/700089316.db2.gz PXJPVFHWBJTGDS-UHFFFAOYSA-N 2 2 301.394 1.361 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC000980477133 696782709 /nfs/dbraw/zinc/78/27/09/696782709.db2.gz BBAUAHQMEQYBLH-MRXNPFEDSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC000980477133 696782711 /nfs/dbraw/zinc/78/27/11/696782711.db2.gz BBAUAHQMEQYBLH-MRXNPFEDSA-N 2 2 323.868 1.617 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474232 697105914 /nfs/dbraw/zinc/10/59/14/697105914.db2.gz RNRQDJYYWNGYMO-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474232 697105915 /nfs/dbraw/zinc/10/59/15/697105915.db2.gz RNRQDJYYWNGYMO-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482799 697107991 /nfs/dbraw/zinc/10/79/91/697107991.db2.gz CEJUOTNRKBLNLN-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482799 697107992 /nfs/dbraw/zinc/10/79/92/697107992.db2.gz CEJUOTNRKBLNLN-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982635152 697162561 /nfs/dbraw/zinc/16/25/61/697162561.db2.gz ZUFJIONZJGXWTD-OLMNPRSZSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982635152 697162563 /nfs/dbraw/zinc/16/25/63/697162563.db2.gz ZUFJIONZJGXWTD-OLMNPRSZSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982635152 697162564 /nfs/dbraw/zinc/16/25/64/697162564.db2.gz ZUFJIONZJGXWTD-OLMNPRSZSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982635152 697162566 /nfs/dbraw/zinc/16/25/66/697162566.db2.gz ZUFJIONZJGXWTD-OLMNPRSZSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735673 697174451 /nfs/dbraw/zinc/17/44/51/697174451.db2.gz KDIPGRHWMNNQOG-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982735673 697174452 /nfs/dbraw/zinc/17/44/52/697174452.db2.gz KDIPGRHWMNNQOG-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP CCC(CC)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000774479296 697883946 /nfs/dbraw/zinc/88/39/46/697883946.db2.gz XBRDMRKIAJCPQD-UHFFFAOYSA-N 2 2 304.442 1.588 20 30 DDEDLP C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780508906 698526334 /nfs/dbraw/zinc/52/63/34/698526334.db2.gz QNDQHHXMHBUDJD-MRXNPFEDSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780508906 698526336 /nfs/dbraw/zinc/52/63/36/698526336.db2.gz QNDQHHXMHBUDJD-MRXNPFEDSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310001089 698669497 /nfs/dbraw/zinc/66/94/97/698669497.db2.gz FBNXAGUOOAAMBZ-ZWKOTPCHSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310001089 698669499 /nfs/dbraw/zinc/66/94/99/698669499.db2.gz FBNXAGUOOAAMBZ-ZWKOTPCHSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310001089 698669502 /nfs/dbraw/zinc/66/95/02/698669502.db2.gz FBNXAGUOOAAMBZ-ZWKOTPCHSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310001089 698669504 /nfs/dbraw/zinc/66/95/04/698669504.db2.gz FBNXAGUOOAAMBZ-ZWKOTPCHSA-N 2 2 311.429 1.190 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCC3(C)C)cn2)CC1 ZINC000782287135 698704068 /nfs/dbraw/zinc/70/40/68/698704068.db2.gz KANZHRROOAXWTK-OAHLLOKOSA-N 2 2 316.453 1.731 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502500 699338093 /nfs/dbraw/zinc/33/80/93/699338093.db2.gz KWUPDPRMJBUTHA-NVXWUHKLSA-N 2 2 316.405 1.096 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991502500 699338094 /nfs/dbraw/zinc/33/80/94/699338094.db2.gz KWUPDPRMJBUTHA-NVXWUHKLSA-N 2 2 316.405 1.096 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000730104731 699501508 /nfs/dbraw/zinc/50/15/08/699501508.db2.gz WFXVAVNWNQMFQV-UONOGXRCSA-N 2 2 305.447 1.565 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000730104731 699501510 /nfs/dbraw/zinc/50/15/10/699501510.db2.gz WFXVAVNWNQMFQV-UONOGXRCSA-N 2 2 305.447 1.565 20 30 DDEDLP CC[NH+](CC)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758221648 700690904 /nfs/dbraw/zinc/69/09/04/700690904.db2.gz HKRAADSAKGYSEA-UHFFFAOYSA-N 2 2 302.422 1.731 20 30 DDEDLP C#C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000817275917 702322024 /nfs/dbraw/zinc/32/20/24/702322024.db2.gz NOWBGSXBPGJNDN-OALUTQOASA-N 2 2 314.429 1.789 20 30 DDEDLP C=CCC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245149 702689094 /nfs/dbraw/zinc/68/90/94/702689094.db2.gz VKVKFZQWSWYUED-GJZGRUSLSA-N 2 2 320.437 1.042 20 30 DDEDLP C=CCC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245149 702689096 /nfs/dbraw/zinc/68/90/96/702689096.db2.gz VKVKFZQWSWYUED-GJZGRUSLSA-N 2 2 320.437 1.042 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000844133702 702976085 /nfs/dbraw/zinc/97/60/85/702976085.db2.gz ACVNOSUCDWJWMH-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000866617255 706744973 /nfs/dbraw/zinc/74/49/73/706744973.db2.gz ZYTBEPNGPGXKGN-RTBURBONSA-N 2 2 311.429 1.868 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000848546543 703562176 /nfs/dbraw/zinc/56/21/76/703562176.db2.gz AVXPJGFJEUNBIX-KRWDZBQOSA-N 2 2 300.406 1.686 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC000876732408 705845637 /nfs/dbraw/zinc/84/56/37/705845637.db2.gz VEXHNNQOZDAYKP-KRWDZBQOSA-N 2 2 323.400 1.538 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(CC#N)ccn1 ZINC000871736051 707181830 /nfs/dbraw/zinc/18/18/30/707181830.db2.gz YWMAECPYSQHWSW-UHFFFAOYSA-N 2 2 318.425 1.153 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(CC#N)ccn1 ZINC000871736051 707181832 /nfs/dbraw/zinc/18/18/32/707181832.db2.gz YWMAECPYSQHWSW-UHFFFAOYSA-N 2 2 318.425 1.153 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000884612927 708338542 /nfs/dbraw/zinc/33/85/42/708338542.db2.gz XZAUHKSKWNCLSO-AWEZNQCLSA-N 2 2 317.462 1.539 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000884612927 708338546 /nfs/dbraw/zinc/33/85/46/708338546.db2.gz XZAUHKSKWNCLSO-AWEZNQCLSA-N 2 2 317.462 1.539 20 30 DDEDLP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000895748032 711595044 /nfs/dbraw/zinc/59/50/44/711595044.db2.gz LJKRXYOVFCCFSN-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C#N)C3)C2)CC1 ZINC000918905850 713573041 /nfs/dbraw/zinc/57/30/41/713573041.db2.gz IFWJZVNMGWGUMM-HUUCEWRRSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C#N)C3)C2)CC1 ZINC000918905850 713573044 /nfs/dbraw/zinc/57/30/44/713573044.db2.gz IFWJZVNMGWGUMM-HUUCEWRRSA-N 2 2 319.453 1.100 20 30 DDEDLP C#CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000932392775 714322242 /nfs/dbraw/zinc/32/22/42/714322242.db2.gz QAXDFZUTOJLVGG-UHFFFAOYSA-N 2 2 314.433 1.464 20 30 DDEDLP C#CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000932392775 714322245 /nfs/dbraw/zinc/32/22/45/714322245.db2.gz QAXDFZUTOJLVGG-UHFFFAOYSA-N 2 2 314.433 1.464 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H]1C ZINC000923424335 714351373 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VCEVHXPTSHKANU-TTZDDIAXSA-N 2 2 314.433 1.842 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000963539402 717824721 /nfs/dbraw/zinc/82/47/21/717824721.db2.gz SBPDXITXMADRRO-UHFFFAOYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967396690 718868620 /nfs/dbraw/zinc/86/86/20/718868620.db2.gz GGIXHRDXPHRNEA-FZMZJTMJSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967396690 718868625 /nfs/dbraw/zinc/86/86/25/718868625.db2.gz GGIXHRDXPHRNEA-FZMZJTMJSA-N 2 2 310.829 1.771 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947333481 719125262 /nfs/dbraw/zinc/12/52/62/719125262.db2.gz FNXFQBQELPAINS-LSDHHAIUSA-N 2 2 314.433 1.364 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437530 719163323 /nfs/dbraw/zinc/16/33/23/719163323.db2.gz RZJWYMWXHGBAFT-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947437530 719163324 /nfs/dbraw/zinc/16/33/24/719163324.db2.gz RZJWYMWXHGBAFT-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540850 719204265 /nfs/dbraw/zinc/20/42/65/719204265.db2.gz ZILCSJBDBXUQSN-HUUCEWRRSA-N 2 2 310.401 1.940 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540850 719204268 /nfs/dbraw/zinc/20/42/68/719204268.db2.gz ZILCSJBDBXUQSN-HUUCEWRRSA-N 2 2 310.401 1.940 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948979235 719820964 /nfs/dbraw/zinc/82/09/64/719820964.db2.gz SUVDESROQYPYQK-SFHVURJKSA-N 2 2 323.440 1.431 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948979235 719820968 /nfs/dbraw/zinc/82/09/68/719820968.db2.gz SUVDESROQYPYQK-SFHVURJKSA-N 2 2 323.440 1.431 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000968925503 719875301 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C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCCO1 ZINC001200796461 748349705 /nfs/dbraw/zinc/34/97/05/748349705.db2.gz YITGSHNUFRNBHL-OAHLLOKOSA-N 2 2 319.405 1.026 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201301353 748470247 /nfs/dbraw/zinc/47/02/47/748470247.db2.gz XQXZPLTXKSPCEH-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321235 748477921 /nfs/dbraw/zinc/47/79/21/748477921.db2.gz JDZCVYYMUZTLDV-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201333548 748487807 /nfs/dbraw/zinc/48/78/07/748487807.db2.gz BNFHVHXDUUQWPH-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201333548 748487808 /nfs/dbraw/zinc/48/78/08/748487808.db2.gz BNFHVHXDUUQWPH-CQSZACIVSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004620937 748595852 /nfs/dbraw/zinc/59/58/52/748595852.db2.gz APDAFDUNNRGNCQ-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004620937 748595854 /nfs/dbraw/zinc/59/58/54/748595854.db2.gz APDAFDUNNRGNCQ-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202207602 748712340 /nfs/dbraw/zinc/71/23/40/748712340.db2.gz AMCGNDQWKPRGLX-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202448148 748784430 /nfs/dbraw/zinc/78/44/30/748784430.db2.gz SMZVXSSAQVOZMW-CQSZACIVSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033204983 748914659 /nfs/dbraw/zinc/91/46/59/748914659.db2.gz AWSXQHASMUJYEB-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033204983 748914662 /nfs/dbraw/zinc/91/46/62/748914662.db2.gz AWSXQHASMUJYEB-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366545 749256057 /nfs/dbraw/zinc/25/60/57/749256057.db2.gz SPCPARDDUSDCKI-DOTOQJQBSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366545 749256061 /nfs/dbraw/zinc/25/60/61/749256061.db2.gz SPCPARDDUSDCKI-DOTOQJQBSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950257 750172199 /nfs/dbraw/zinc/17/21/99/750172199.db2.gz QNNOXLHCVFEJGZ-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950257 750172201 /nfs/dbraw/zinc/17/22/01/750172201.db2.gz QNNOXLHCVFEJGZ-CABCVRRESA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538668 751222834 /nfs/dbraw/zinc/22/28/34/751222834.db2.gz VJXBAWDTLFUNHF-YESZJQIVSA-N 2 2 301.434 1.169 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538668 751222835 /nfs/dbraw/zinc/22/28/35/751222835.db2.gz VJXBAWDTLFUNHF-YESZJQIVSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035238494 751320487 /nfs/dbraw/zinc/32/04/87/751320487.db2.gz BCWBVVAMKGGJOW-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035238494 751320495 /nfs/dbraw/zinc/32/04/95/751320495.db2.gz BCWBVVAMKGGJOW-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665045 752654313 /nfs/dbraw/zinc/65/43/13/752654313.db2.gz XKCZZRQVVOEXFH-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665045 752654317 /nfs/dbraw/zinc/65/43/17/752654317.db2.gz XKCZZRQVVOEXFH-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538881 752982306 /nfs/dbraw/zinc/98/23/06/752982306.db2.gz ZYASEZYAQPZLMP-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800202 754054854 /nfs/dbraw/zinc/05/48/54/754054854.db2.gz ZZLDDRKBEMDXHB-ROUUACIJSA-N 2 2 311.429 1.670 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800202 754054856 /nfs/dbraw/zinc/05/48/56/754054856.db2.gz ZZLDDRKBEMDXHB-ROUUACIJSA-N 2 2 311.429 1.670 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355143 755056334 /nfs/dbraw/zinc/05/63/34/755056334.db2.gz NWHHQBCQKZMDPB-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090355143 755056338 /nfs/dbraw/zinc/05/63/38/755056338.db2.gz NWHHQBCQKZMDPB-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014503433 755764788 /nfs/dbraw/zinc/76/47/88/755764788.db2.gz RUXGFRBZLGKUNS-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014503433 755764789 /nfs/dbraw/zinc/76/47/89/755764789.db2.gz RUXGFRBZLGKUNS-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503433 755764791 /nfs/dbraw/zinc/76/47/91/755764791.db2.gz RUXGFRBZLGKUNS-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503433 755764793 /nfs/dbraw/zinc/76/47/93/755764793.db2.gz RUXGFRBZLGKUNS-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014910486 756011894 /nfs/dbraw/zinc/01/18/94/756011894.db2.gz RCHVQXPTBMQFTB-AWEZNQCLSA-N 2 2 311.857 1.805 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014910486 756011898 /nfs/dbraw/zinc/01/18/98/756011898.db2.gz RCHVQXPTBMQFTB-AWEZNQCLSA-N 2 2 311.857 1.805 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001016693828 757273114 /nfs/dbraw/zinc/27/31/14/757273114.db2.gz CCLJWDKFFUPLTM-ZBFHGGJFSA-N 2 2 312.417 1.049 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040492944 762559845 /nfs/dbraw/zinc/55/98/45/762559845.db2.gz IBIDMVNQFDKTCE-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040492944 762559852 /nfs/dbraw/zinc/55/98/52/762559852.db2.gz IBIDMVNQFDKTCE-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699870 757660473 /nfs/dbraw/zinc/66/04/73/757660473.db2.gz FHDYMIQNIPHXLZ-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052699870 757660481 /nfs/dbraw/zinc/66/04/81/757660481.db2.gz FHDYMIQNIPHXLZ-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017619001 758086377 /nfs/dbraw/zinc/08/63/77/758086377.db2.gz YADWTUDPOSXJAX-YESZJQIVSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017619001 758086393 /nfs/dbraw/zinc/08/63/93/758086393.db2.gz YADWTUDPOSXJAX-YESZJQIVSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017619001 758086403 /nfs/dbraw/zinc/08/64/03/758086403.db2.gz YADWTUDPOSXJAX-YESZJQIVSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017619001 758086419 /nfs/dbraw/zinc/08/64/19/758086419.db2.gz YADWTUDPOSXJAX-YESZJQIVSA-N 2 2 303.450 1.558 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084962862 758102545 /nfs/dbraw/zinc/10/25/45/758102545.db2.gz MHMNPIPAOWHOCF-KQTLUZQSSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084962862 758102550 /nfs/dbraw/zinc/10/25/50/758102550.db2.gz MHMNPIPAOWHOCF-KQTLUZQSSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084962862 758102559 /nfs/dbraw/zinc/10/25/59/758102559.db2.gz MHMNPIPAOWHOCF-KQTLUZQSSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC001084962862 758102568 /nfs/dbraw/zinc/10/25/68/758102568.db2.gz MHMNPIPAOWHOCF-KQTLUZQSSA-N 2 2 300.406 1.622 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044078 758104151 /nfs/dbraw/zinc/10/41/51/758104151.db2.gz MGANAGOWPBCHDV-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001053044078 758104153 /nfs/dbraw/zinc/10/41/53/758104153.db2.gz MGANAGOWPBCHDV-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017767735 758216992 /nfs/dbraw/zinc/21/69/92/758216992.db2.gz RPBBZJQMKWBQJB-FGTMMUONSA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017767735 758217005 /nfs/dbraw/zinc/21/70/05/758217005.db2.gz RPBBZJQMKWBQJB-FGTMMUONSA-N 2 2 315.461 1.559 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085249485 759198325 /nfs/dbraw/zinc/19/83/25/759198325.db2.gz FWHXAQSAJBUHGA-RRFJBIMHSA-N 2 2 302.422 1.649 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054171793 759252654 /nfs/dbraw/zinc/25/26/54/759252654.db2.gz YFSIIPALTCFKNB-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054171793 759252661 /nfs/dbraw/zinc/25/26/61/759252661.db2.gz YFSIIPALTCFKNB-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001019279614 759756490 /nfs/dbraw/zinc/75/64/90/759756490.db2.gz JUXWBMYHSNXHQN-RDJZCZTQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001019279614 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C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001265092622 901544100 /nfs/dbraw/zinc/54/41/00/901544100.db2.gz TYRUOMIICPWDBF-ZBFHGGJFSA-N 2 2 302.422 1.643 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265830244 902461906 /nfs/dbraw/zinc/46/19/06/902461906.db2.gz QKSSYXVWFSRGMO-ZDUSSCGKSA-N 2 2 314.364 1.237 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001265912750 902585731 /nfs/dbraw/zinc/58/57/31/902585731.db2.gz MDKFXHTZIWHCST-HOTGVXAUSA-N 2 2 302.422 1.684 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989909 902718268 /nfs/dbraw/zinc/71/82/68/902718268.db2.gz KGGQDAASLSADQU-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001391921546 902907653 /nfs/dbraw/zinc/90/76/53/902907653.db2.gz NUZQWKQXZRZNGO-AAEUAGOBSA-N 2 2 310.829 1.540 20 30 DDEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001279716888 903398157 /nfs/dbraw/zinc/39/81/57/903398157.db2.gz GWGLZOJIJYAJBA-UHFFFAOYSA-N 2 2 316.405 1.243 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001280487478 903730936 /nfs/dbraw/zinc/73/09/36/903730936.db2.gz CUZFSAORDWPDOC-CQSZACIVSA-N 2 2 300.406 1.097 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001280930443 904201854 /nfs/dbraw/zinc/20/18/54/904201854.db2.gz WOHKCWOBROKKCC-OAHLLOKOSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001280930443 904201870 /nfs/dbraw/zinc/20/18/70/904201870.db2.gz WOHKCWOBROKKCC-OAHLLOKOSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001281142681 904469229 /nfs/dbraw/zinc/46/92/29/904469229.db2.gz HDLVTDYTJCZKPM-QGZVFWFLSA-N 2 2 314.389 1.077 20 30 DDEDLP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282665465 905933116 /nfs/dbraw/zinc/93/31/16/905933116.db2.gz MOXBPZDKOYRPME-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001282665465 905933125 /nfs/dbraw/zinc/93/31/25/905933125.db2.gz MOXBPZDKOYRPME-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283784868 907956558 /nfs/dbraw/zinc/95/65/58/907956558.db2.gz PZWMSZZSWFPEKB-OAHLLOKOSA-N 2 2 305.422 1.653 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284024958 908334569 /nfs/dbraw/zinc/33/45/69/908334569.db2.gz GFRAOZPOUCYPBB-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001393973871 908425293 /nfs/dbraw/zinc/42/52/93/908425293.db2.gz GDQSWJMPAHEEJY-QWRGUYRKSA-N 2 2 317.418 1.568 20 30 DDEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329847641 283016130 /nfs/dbraw/zinc/01/61/30/283016130.db2.gz MYYOZAPGYKETQY-STQMWFEESA-N 2 2 320.437 1.783 20 30 DDEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329847641 283016134 /nfs/dbraw/zinc/01/61/34/283016134.db2.gz MYYOZAPGYKETQY-STQMWFEESA-N 2 2 320.437 1.783 20 30 DDEDLP COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000595296790 356438198 /nfs/dbraw/zinc/43/81/98/356438198.db2.gz KQVKZGOOTDTWOZ-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000595296790 356438201 /nfs/dbraw/zinc/43/82/01/356438201.db2.gz KQVKZGOOTDTWOZ-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595296790 356438203 /nfs/dbraw/zinc/43/82/03/356438203.db2.gz KQVKZGOOTDTWOZ-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595296790 356438206 /nfs/dbraw/zinc/43/82/06/356438206.db2.gz KQVKZGOOTDTWOZ-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500155 356519435 /nfs/dbraw/zinc/51/94/35/356519435.db2.gz BVPYBRHSZWGNNB-CVEARBPZSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500155 356519439 /nfs/dbraw/zinc/51/94/39/356519439.db2.gz BVPYBRHSZWGNNB-CVEARBPZSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500155 356519442 /nfs/dbraw/zinc/51/94/42/356519442.db2.gz BVPYBRHSZWGNNB-CVEARBPZSA-N 2 2 318.421 1.107 20 30 DDEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595500155 356519446 /nfs/dbraw/zinc/51/94/46/356519446.db2.gz BVPYBRHSZWGNNB-CVEARBPZSA-N 2 2 318.421 1.107 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596926126 357015924 /nfs/dbraw/zinc/01/59/24/357015924.db2.gz MKMKONWCFRRENR-ZDUSSCGKSA-N 2 2 303.410 1.209 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596926126 357015927 /nfs/dbraw/zinc/01/59/27/357015927.db2.gz MKMKONWCFRRENR-ZDUSSCGKSA-N 2 2 303.410 1.209 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600723148 358296342 /nfs/dbraw/zinc/29/63/42/358296342.db2.gz JTPHVLFKYHFNLR-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C#N)n1 ZINC000602484205 359009695 /nfs/dbraw/zinc/00/96/95/359009695.db2.gz ILIABYOFKLOCAV-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C#N)n1 ZINC000602484205 359009700 /nfs/dbraw/zinc/00/97/00/359009700.db2.gz ILIABYOFKLOCAV-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602644275 359095041 /nfs/dbraw/zinc/09/50/41/359095041.db2.gz LQMLJLUEVOFEFV-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258143 360278036 /nfs/dbraw/zinc/27/80/36/360278036.db2.gz MYNVEICXDCRVHS-HLLBOEOZSA-N 2 2 317.437 1.963 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258143 360278040 /nfs/dbraw/zinc/27/80/40/360278040.db2.gz MYNVEICXDCRVHS-HLLBOEOZSA-N 2 2 317.437 1.963 20 30 DDEDLP CNC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271918266 209322206 /nfs/dbraw/zinc/32/22/06/209322206.db2.gz ZHWOVSCUVVXAOF-UHFFFAOYSA-N 2 2 300.406 1.248 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625322576 366849414 /nfs/dbraw/zinc/84/94/14/366849414.db2.gz HNNQBPHOSNRVAW-OAHLLOKOSA-N 2 2 316.449 1.911 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371992 407374503 /nfs/dbraw/zinc/37/45/03/407374503.db2.gz YNDQZQMAAHDICH-KRWDZBQOSA-N 2 2 322.497 1.123 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371992 407374504 /nfs/dbraw/zinc/37/45/04/407374504.db2.gz YNDQZQMAAHDICH-KRWDZBQOSA-N 2 2 322.497 1.123 20 30 DDEDLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1(C#N)CCCCC1 ZINC000118842302 407955984 /nfs/dbraw/zinc/95/59/84/407955984.db2.gz JRQFSAPODQRJPO-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1(C#N)CCCCC1 ZINC000118842302 407955989 /nfs/dbraw/zinc/95/59/89/407955989.db2.gz JRQFSAPODQRJPO-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1(C#N)CCCCC1 ZINC000118842302 407955995 /nfs/dbraw/zinc/95/59/95/407955995.db2.gz JRQFSAPODQRJPO-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1(C#N)CCCCC1 ZINC000118842302 407955999 /nfs/dbraw/zinc/95/59/99/407955999.db2.gz JRQFSAPODQRJPO-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278862157 409102611 /nfs/dbraw/zinc/10/26/11/409102611.db2.gz LHNZOTNOQJVZEP-UHFFFAOYSA-N 2 2 302.422 1.701 20 30 DDEDLP CCC[C@H]([NH2+]C(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354087285 409640846 /nfs/dbraw/zinc/64/08/46/409640846.db2.gz YZFDGLYVYMVZMK-INIZCTEOSA-N 2 2 324.469 1.228 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227158 409736058 /nfs/dbraw/zinc/73/60/58/409736058.db2.gz ZLEGWPXUIXSGKS-HZPDHXFCSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227158 409736062 /nfs/dbraw/zinc/73/60/62/409736062.db2.gz ZLEGWPXUIXSGKS-HZPDHXFCSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227158 409736069 /nfs/dbraw/zinc/73/60/69/409736069.db2.gz ZLEGWPXUIXSGKS-HZPDHXFCSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227158 409736076 /nfs/dbraw/zinc/73/60/76/409736076.db2.gz ZLEGWPXUIXSGKS-HZPDHXFCSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000354302228 409750939 /nfs/dbraw/zinc/75/09/39/409750939.db2.gz FQJKTNBXKNGYOT-IXEWLPCDSA-N 2 2 318.465 1.696 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000354302228 409750946 /nfs/dbraw/zinc/75/09/46/409750946.db2.gz FQJKTNBXKNGYOT-IXEWLPCDSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328764170 409972249 /nfs/dbraw/zinc/97/22/49/409972249.db2.gz GEIRIJHBDIBSTE-CABCVRRESA-N 2 2 319.453 1.855 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328764170 409972253 /nfs/dbraw/zinc/97/22/53/409972253.db2.gz GEIRIJHBDIBSTE-CABCVRRESA-N 2 2 319.453 1.855 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646981 410160603 /nfs/dbraw/zinc/16/06/03/410160603.db2.gz LEUVQZVIOJONDP-OAHLLOKOSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646981 410160606 /nfs/dbraw/zinc/16/06/06/410160606.db2.gz LEUVQZVIOJONDP-OAHLLOKOSA-N 2 2 311.470 1.188 20 30 DDEDLP [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329545716 410354524 /nfs/dbraw/zinc/35/45/24/410354524.db2.gz GUNQYNANBBJSPP-NWDGAFQWSA-N 2 2 303.410 1.255 20 30 DDEDLP [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329545716 410354529 /nfs/dbraw/zinc/35/45/29/410354529.db2.gz GUNQYNANBBJSPP-NWDGAFQWSA-N 2 2 303.410 1.255 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330276883 410610138 /nfs/dbraw/zinc/61/01/38/410610138.db2.gz NNZKZWLKAFCTLT-RBSFLKMASA-N 2 2 317.437 1.671 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330276883 410610142 /nfs/dbraw/zinc/61/01/42/410610142.db2.gz NNZKZWLKAFCTLT-RBSFLKMASA-N 2 2 317.437 1.671 20 30 DDEDLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)ccc1C#N ZINC000331109048 410952487 /nfs/dbraw/zinc/95/24/87/410952487.db2.gz KCDHQRYRJWBNRN-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP FC(F)O[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000580541782 422939952 /nfs/dbraw/zinc/93/99/52/422939952.db2.gz AFZOQEZEPSACBH-RYUDHWBXSA-N 2 2 324.318 1.617 20 30 DDEDLP FC(F)O[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000580541782 422939954 /nfs/dbraw/zinc/93/99/54/422939954.db2.gz AFZOQEZEPSACBH-RYUDHWBXSA-N 2 2 324.318 1.617 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000366835235 418524079 /nfs/dbraw/zinc/52/40/79/418524079.db2.gz XYPOZLKOZGVACU-AWEZNQCLSA-N 2 2 317.437 1.569 20 30 DDEDLP COc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+](C)C)cc1OC ZINC000264064932 222313078 /nfs/dbraw/zinc/31/30/78/222313078.db2.gz DUNCQQVXTCIYHB-ZDUSSCGKSA-N 2 2 306.410 1.373 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000377552909 418712341 /nfs/dbraw/zinc/71/23/41/418712341.db2.gz KLCLLNMJWIXDLU-QGZVFWFLSA-N 2 2 312.417 1.472 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830657 418747850 /nfs/dbraw/zinc/74/78/50/418747850.db2.gz OMUBUBAJDZZYCM-DOTOQJQBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830657 418747852 /nfs/dbraw/zinc/74/78/52/418747852.db2.gz OMUBUBAJDZZYCM-DOTOQJQBSA-N 2 2 323.481 1.595 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000371033288 418757478 /nfs/dbraw/zinc/75/74/78/418757478.db2.gz ACZWHCZJFWPSJQ-PMRDEQMMSA-N 2 2 318.465 1.351 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000371033288 418757480 /nfs/dbraw/zinc/75/74/80/418757480.db2.gz ACZWHCZJFWPSJQ-PMRDEQMMSA-N 2 2 318.465 1.351 20 30 DDEDLP C=CCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378590388 418725273 /nfs/dbraw/zinc/72/52/73/418725273.db2.gz QBLDGHUZUNCHLQ-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000424141755 228234596 /nfs/dbraw/zinc/23/45/96/228234596.db2.gz XHHLZECZASWDFT-CQSZACIVSA-N 2 2 301.394 1.319 20 30 DDEDLP Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425211544 228391531 /nfs/dbraw/zinc/39/15/31/228391531.db2.gz XJJTVRXJXGQCRE-AWEZNQCLSA-N 2 2 300.406 1.951 20 30 DDEDLP Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425211544 228391534 /nfs/dbraw/zinc/39/15/34/228391534.db2.gz XJJTVRXJXGQCRE-AWEZNQCLSA-N 2 2 300.406 1.951 20 30 DDEDLP C=C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425945387 419370898 /nfs/dbraw/zinc/37/08/98/419370898.db2.gz KNJNADSCTPWIOV-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426563704 419505609 /nfs/dbraw/zinc/50/56/09/419505609.db2.gz XXGVOTOUAOMTSD-MRXNPFEDSA-N 2 2 301.438 1.769 20 30 DDEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000426563704 419505619 /nfs/dbraw/zinc/50/56/19/419505619.db2.gz XXGVOTOUAOMTSD-MRXNPFEDSA-N 2 2 301.438 1.769 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1=O ZINC000542093806 421817047 /nfs/dbraw/zinc/81/70/47/421817047.db2.gz XHNHUXKNVFQCNI-INIZCTEOSA-N 2 2 323.400 1.573 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1=O ZINC000542093809 421817672 /nfs/dbraw/zinc/81/76/72/421817672.db2.gz XHNHUXKNVFQCNI-MRXNPFEDSA-N 2 2 323.400 1.573 20 30 DDEDLP C=CC[C@@]1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CCC[NH2+]1 ZINC000662825114 424779837 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C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655801 500575754 /nfs/dbraw/zinc/57/57/54/500575754.db2.gz QBSNYTCURCAMMN-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655801 500575758 /nfs/dbraw/zinc/57/57/58/500575758.db2.gz QBSNYTCURCAMMN-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655801 500575761 /nfs/dbraw/zinc/57/57/61/500575761.db2.gz QBSNYTCURCAMMN-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655801 500575764 /nfs/dbraw/zinc/57/57/64/500575764.db2.gz QBSNYTCURCAMMN-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330250127 534764942 /nfs/dbraw/zinc/76/49/42/534764942.db2.gz HAWUQMJXEDOJIZ-KGLIPLIRSA-N 2 2 314.393 1.473 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)CC1 ZINC000491325899 526953196 /nfs/dbraw/zinc/95/31/96/526953196.db2.gz HZJXAJQYDRWLPM-HUUCEWRRSA-N 2 2 314.433 1.031 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269176 528178495 /nfs/dbraw/zinc/17/84/95/528178495.db2.gz DHTXJACJWAPGLQ-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269176 528178500 /nfs/dbraw/zinc/17/85/00/528178500.db2.gz DHTXJACJWAPGLQ-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCN1CCN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329964532 529107480 /nfs/dbraw/zinc/10/74/80/529107480.db2.gz QRBSQDBFWPBMCX-CQSZACIVSA-N 2 2 320.441 1.097 20 30 DDEDLP CCN1CCN(C(=O)NCC[N@@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329964532 529107487 /nfs/dbraw/zinc/10/74/87/529107487.db2.gz QRBSQDBFWPBMCX-CQSZACIVSA-N 2 2 320.441 1.097 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669355 695708216 /nfs/dbraw/zinc/70/82/16/695708216.db2.gz 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/nfs/dbraw/zinc/94/41/02/696944102.db2.gz DDPDNDOJWISEKF-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292375 697084974 /nfs/dbraw/zinc/08/49/74/697084974.db2.gz HUTOBZPHJAQXIP-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292375 697084977 /nfs/dbraw/zinc/08/49/77/697084977.db2.gz HUTOBZPHJAQXIP-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292375 697084980 /nfs/dbraw/zinc/08/49/80/697084980.db2.gz HUTOBZPHJAQXIP-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292375 697084982 /nfs/dbraw/zinc/08/49/82/697084982.db2.gz HUTOBZPHJAQXIP-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477570 697107228 /nfs/dbraw/zinc/10/72/28/697107228.db2.gz ZUUWRRVBTRISRM-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477570 697107230 /nfs/dbraw/zinc/10/72/30/697107230.db2.gz ZUUWRRVBTRISRM-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000303902515 698610608 /nfs/dbraw/zinc/61/06/08/698610608.db2.gz UBWBHRSMJPQSDF-UHFFFAOYSA-N 2 2 316.449 1.819 20 30 DDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000783861550 698888248 /nfs/dbraw/zinc/88/82/48/698888248.db2.gz FHLCKVDIWZEMBK-HOTGVXAUSA-N 2 2 323.404 1.770 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122637 699239873 /nfs/dbraw/zinc/23/98/73/699239873.db2.gz WNKHRVCVMNEMKY-GKLJAUDBSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122637 699239875 /nfs/dbraw/zinc/23/98/75/699239875.db2.gz WNKHRVCVMNEMKY-GKLJAUDBSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122637 699239877 /nfs/dbraw/zinc/23/98/77/699239877.db2.gz WNKHRVCVMNEMKY-GKLJAUDBSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122637 699239878 /nfs/dbraw/zinc/23/98/78/699239878.db2.gz WNKHRVCVMNEMKY-GKLJAUDBSA-N 2 2 300.406 1.812 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000791025711 699607490 /nfs/dbraw/zinc/60/74/90/699607490.db2.gz FBDWKERYXFHHAD-CABCVRRESA-N 2 2 306.454 1.256 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000791025711 699607491 /nfs/dbraw/zinc/60/74/91/699607491.db2.gz FBDWKERYXFHHAD-CABCVRRESA-N 2 2 306.454 1.256 20 30 DDEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000753952406 700471101 /nfs/dbraw/zinc/47/11/01/700471101.db2.gz HQWVZEIMKDHKFY-GJZGRUSLSA-N 2 2 312.479 1.701 20 30 DDEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000753952406 700471102 /nfs/dbraw/zinc/47/11/02/700471102.db2.gz HQWVZEIMKDHKFY-GJZGRUSLSA-N 2 2 312.479 1.701 20 30 DDEDLP C[C@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000755664909 700576475 /nfs/dbraw/zinc/57/64/75/700576475.db2.gz RACWWMCCOZYVDG-HNNXBMFYSA-N 2 2 324.432 1.913 20 30 DDEDLP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000866617254 706745135 /nfs/dbraw/zinc/74/51/35/706745135.db2.gz ZYTBEPNGPGXKGN-RBUKOAKNSA-N 2 2 311.429 1.868 20 30 DDEDLP C#CC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000883416836 707996786 /nfs/dbraw/zinc/99/67/86/707996786.db2.gz GXHKHWFPRUKFES-OAHLLOKOSA-N 2 2 318.465 1.400 20 30 DDEDLP C#CC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000883416836 707996789 /nfs/dbraw/zinc/99/67/89/707996789.db2.gz GXHKHWFPRUKFES-OAHLLOKOSA-N 2 2 318.465 1.400 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000901137457 709942419 /nfs/dbraw/zinc/94/24/19/709942419.db2.gz IVAGIFHHYDQZPA-UHFFFAOYSA-N 2 2 318.421 1.673 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccsc3C#N)C2)CC1 ZINC000906662637 712382973 /nfs/dbraw/zinc/38/29/73/712382973.db2.gz ZNPZECPOVLQLPR-LBPRGKRZSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccsc3C#N)C2)CC1 ZINC000906662637 712382974 /nfs/dbraw/zinc/38/29/74/712382974.db2.gz ZNPZECPOVLQLPR-LBPRGKRZSA-N 2 2 318.446 1.518 20 30 DDEDLP COCC[NH2+]C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000923388625 714338174 /nfs/dbraw/zinc/33/81/74/714338174.db2.gz QEQFUZAYKNVDHE-KRWDZBQOSA-N 2 2 303.406 1.292 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000964089446 717997502 /nfs/dbraw/zinc/99/75/02/717997502.db2.gz JTRNACIJYMETMC-OQDWRCPYSA-N 2 2 314.433 1.649 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166974 717120213 /nfs/dbraw/zinc/12/02/13/717120213.db2.gz NNDNZJVWRWAGAO-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166974 717120217 /nfs/dbraw/zinc/12/02/17/717120217.db2.gz NNDNZJVWRWAGAO-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000963581918 717836815 /nfs/dbraw/zinc/83/68/15/717836815.db2.gz MLMCGAVZBMCKAR-QQFBHYJXSA-N 2 2 314.433 1.438 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907894 718705856 /nfs/dbraw/zinc/70/58/56/718705856.db2.gz HTGQCAHSXIHQMS-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907894 718705860 /nfs/dbraw/zinc/70/58/60/718705860.db2.gz HTGQCAHSXIHQMS-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908096 718706880 /nfs/dbraw/zinc/70/68/80/718706880.db2.gz KJWVPZFBVYXZAY-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908096 718706883 /nfs/dbraw/zinc/70/68/83/718706883.db2.gz KJWVPZFBVYXZAY-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946816096 718917273 /nfs/dbraw/zinc/91/72/73/718917273.db2.gz ZQVKOIKNBMCHRU-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946816096 718917276 /nfs/dbraw/zinc/91/72/76/718917276.db2.gz ZQVKOIKNBMCHRU-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946816096 718917279 /nfs/dbraw/zinc/91/72/79/718917279.db2.gz ZQVKOIKNBMCHRU-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946816096 718917281 /nfs/dbraw/zinc/91/72/81/718917281.db2.gz ZQVKOIKNBMCHRU-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947333473 719125505 /nfs/dbraw/zinc/12/55/05/719125505.db2.gz FNXFQBQELPAINS-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000950663738 720726047 /nfs/dbraw/zinc/72/60/47/720726047.db2.gz XHLFVGPZVCYGBW-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585883 735328635 /nfs/dbraw/zinc/32/86/35/735328635.db2.gz OOXUMRSGIRKPFA-KBPBESRZSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585883 735328639 /nfs/dbraw/zinc/32/86/39/735328639.db2.gz OOXUMRSGIRKPFA-KBPBESRZSA-N 2 2 300.406 1.291 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202193 733182891 /nfs/dbraw/zinc/18/28/91/733182891.db2.gz LCZPKFMURVKUEC-HUUCEWRRSA-N 2 2 314.433 1.393 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202194 733183100 /nfs/dbraw/zinc/18/31/00/733183100.db2.gz LCZPKFMURVKUEC-LSDHHAIUSA-N 2 2 314.433 1.393 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001167355484 733282204 /nfs/dbraw/zinc/28/22/04/733282204.db2.gz LCPPUDFPDYOHDU-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314321 733467503 /nfs/dbraw/zinc/46/75/03/733467503.db2.gz OYICEBWTQDBSCF-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314321 733467507 /nfs/dbraw/zinc/46/75/07/733467507.db2.gz OYICEBWTQDBSCF-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021726214 733488213 /nfs/dbraw/zinc/48/82/13/733488213.db2.gz ZSQMPDKMHICWCN-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021726214 733488216 /nfs/dbraw/zinc/48/82/16/733488216.db2.gz ZSQMPDKMHICWCN-DOTOQJQBSA-N 2 2 314.433 1.299 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883703 738770080 /nfs/dbraw/zinc/77/00/80/738770080.db2.gz BKLIQEUGHYIQQW-GJZGRUSLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027883703 738770083 /nfs/dbraw/zinc/77/00/83/738770083.db2.gz BKLIQEUGHYIQQW-GJZGRUSLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001022094380 734383001 /nfs/dbraw/zinc/38/30/01/734383001.db2.gz BDIIHJBQQXXQSE-LVQVYYBASA-N 2 2 314.433 1.577 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001022115856 734395576 /nfs/dbraw/zinc/39/55/76/734395576.db2.gz OFZYJRHUVRSZGF-ZENOOKHLSA-N 2 2 317.437 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001022115856 734395580 /nfs/dbraw/zinc/39/55/80/734395580.db2.gz OFZYJRHUVRSZGF-ZENOOKHLSA-N 2 2 317.437 1.603 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027976568 738895977 /nfs/dbraw/zinc/89/59/77/738895977.db2.gz DDUNGTHBGLGLAN-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027976568 738895979 /nfs/dbraw/zinc/89/59/79/738895979.db2.gz DDUNGTHBGLGLAN-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255693 736395962 /nfs/dbraw/zinc/39/59/62/736395962.db2.gz SGZYWUIMIOFUKX-IRXDYDNUSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255693 736395966 /nfs/dbraw/zinc/39/59/66/736395966.db2.gz SGZYWUIMIOFUKX-IRXDYDNUSA-N 2 2 314.433 1.752 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001026325100 737350996 /nfs/dbraw/zinc/35/09/96/737350996.db2.gz UDPRZHXEQYKJMA-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038367453 737452579 /nfs/dbraw/zinc/45/25/79/737452579.db2.gz MCFDNZVBHVBLLY-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038367453 737452581 /nfs/dbraw/zinc/45/25/81/737452581.db2.gz MCFDNZVBHVBLLY-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038367453 737452582 /nfs/dbraw/zinc/45/25/82/737452582.db2.gz MCFDNZVBHVBLLY-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038367453 737452584 /nfs/dbraw/zinc/45/25/84/737452584.db2.gz MCFDNZVBHVBLLY-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027979763 738900878 /nfs/dbraw/zinc/90/08/78/738900878.db2.gz ABXOOSRZXWZUSU-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542368 739648309 /nfs/dbraw/zinc/64/83/09/739648309.db2.gz OOOJJCQAGNBNON-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542368 739648311 /nfs/dbraw/zinc/64/83/11/739648311.db2.gz OOOJJCQAGNBNON-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028907034 740162031 /nfs/dbraw/zinc/16/20/31/740162031.db2.gz BZARTSANXQUXRW-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028907034 740162035 /nfs/dbraw/zinc/16/20/35/740162035.db2.gz BZARTSANXQUXRW-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001088011036 740945599 /nfs/dbraw/zinc/94/55/99/740945599.db2.gz WFTSNWZQCMTFDL-ZBFHGGJFSA-N 2 2 315.417 1.599 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001088011036 740945602 /nfs/dbraw/zinc/94/56/02/740945602.db2.gz WFTSNWZQCMTFDL-ZBFHGGJFSA-N 2 2 315.417 1.599 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338113 741411381 /nfs/dbraw/zinc/41/13/81/741411381.db2.gz VPKSNMPDMHDZLR-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@@H](CC)OC)C1 ZINC001030031446 743740727 /nfs/dbraw/zinc/74/07/27/743740727.db2.gz ICGDOJGLSFGTMC-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](CC)OC)C1 ZINC001030031446 743740729 /nfs/dbraw/zinc/74/07/29/743740729.db2.gz ICGDOJGLSFGTMC-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](CC)OC)C1 ZINC001030031446 743740730 /nfs/dbraw/zinc/74/07/30/743740730.db2.gz ICGDOJGLSFGTMC-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](CC)OC)C1 ZINC001030031446 743740732 /nfs/dbraw/zinc/74/07/32/743740732.db2.gz ICGDOJGLSFGTMC-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496261 743847860 /nfs/dbraw/zinc/84/78/60/743847860.db2.gz MDKFXHTZIWHCST-HZPDHXFCSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184532878 744055307 /nfs/dbraw/zinc/05/53/07/744055307.db2.gz CKXBBVQYXIGDMM-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184532878 744055311 /nfs/dbraw/zinc/05/53/11/744055311.db2.gz CKXBBVQYXIGDMM-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001184575965 744063923 /nfs/dbraw/zinc/06/39/23/744063923.db2.gz LWXMEIPKXXJDHF-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001184575965 744063928 /nfs/dbraw/zinc/06/39/28/744063928.db2.gz LWXMEIPKXXJDHF-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370848 744218123 /nfs/dbraw/zinc/21/81/23/744218123.db2.gz QBRUCOBWVQJNKB-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851554 751921922 /nfs/dbraw/zinc/92/19/22/751921922.db2.gz QOBMQLVDVMXOEJ-UHFFFAOYSA-N 2 2 311.857 1.759 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187050825 744492025 /nfs/dbraw/zinc/49/20/25/744492025.db2.gz AYHDWUWEDCPVOZ-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC000992877832 745263538 /nfs/dbraw/zinc/26/35/38/745263538.db2.gz YOAHMIBGLIGNBR-SOUVJXGZSA-N 2 2 300.406 1.111 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307758 745582769 /nfs/dbraw/zinc/58/27/69/745582769.db2.gz RTORYVXXDIOFEK-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778135 745887707 /nfs/dbraw/zinc/88/77/07/745887707.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192778135 745887715 /nfs/dbraw/zinc/88/77/15/745887715.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778135 745887721 /nfs/dbraw/zinc/88/77/21/745887721.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192778135 745887728 /nfs/dbraw/zinc/88/77/28/745887728.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 2 320.437 1.324 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705196 745946285 /nfs/dbraw/zinc/94/62/85/745946285.db2.gz WGZXSFKCVVKMKE-QLFBSQMISA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993514799 746209576 /nfs/dbraw/zinc/20/95/76/746209576.db2.gz IOVGNBXDSPMBIP-DZGCQCFKSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993514799 746209580 /nfs/dbraw/zinc/20/95/80/746209580.db2.gz IOVGNBXDSPMBIP-DZGCQCFKSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001036041581 752117797 /nfs/dbraw/zinc/11/77/97/752117797.db2.gz JGEWEHTXQOCSLH-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196340767 746837501 /nfs/dbraw/zinc/83/75/01/746837501.db2.gz JDXAWTDDFBAEJV-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001196340767 746837507 /nfs/dbraw/zinc/83/75/07/746837507.db2.gz JDXAWTDDFBAEJV-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031784551 747828986 /nfs/dbraw/zinc/82/89/86/747828986.db2.gz VDHUHHJZHJAQEK-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802460 747897408 /nfs/dbraw/zinc/89/74/08/747897408.db2.gz RFAVZHHGBOKHRH-HNNXBMFYSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802460 747897414 /nfs/dbraw/zinc/89/74/14/747897414.db2.gz RFAVZHHGBOKHRH-HNNXBMFYSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104765 748411126 /nfs/dbraw/zinc/41/11/26/748411126.db2.gz SFHCDDIPOISAHG-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269732 749098403 /nfs/dbraw/zinc/09/84/03/749098403.db2.gz VAABYWHKLHHFDK-OAHLLOKOSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269732 749098412 /nfs/dbraw/zinc/09/84/12/749098412.db2.gz VAABYWHKLHHFDK-OAHLLOKOSA-N 2 2 314.433 1.318 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995732466 749200049 /nfs/dbraw/zinc/20/00/49/749200049.db2.gz HFDTWZYIYJGEHV-LBPRGKRZSA-N 2 2 310.829 1.921 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC000995820328 749260939 /nfs/dbraw/zinc/26/09/39/749260939.db2.gz FTVJXZKLAWVIDX-HNNXBMFYSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001033689440 749728564 /nfs/dbraw/zinc/72/85/64/749728564.db2.gz YTDKAAIVSCEELN-MRXNPFEDSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001033689440 749728567 /nfs/dbraw/zinc/72/85/67/749728567.db2.gz YTDKAAIVSCEELN-MRXNPFEDSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033875912 750010656 /nfs/dbraw/zinc/01/06/56/750010656.db2.gz JQNCGZHZYZPFFW-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033875912 750010662 /nfs/dbraw/zinc/01/06/62/750010662.db2.gz JQNCGZHZYZPFFW-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639579 750103641 /nfs/dbraw/zinc/10/36/41/750103641.db2.gz KCQPZLBLAXDAPW-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639579 750103646 /nfs/dbraw/zinc/10/36/46/750103646.db2.gz KCQPZLBLAXDAPW-WCVJEAGWSA-N 2 2 314.433 1.743 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001034670417 750646602 /nfs/dbraw/zinc/64/66/02/750646602.db2.gz TUKPPANOGLBPKR-SHTZXODSSA-N 2 2 302.422 1.577 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413430 750667221 /nfs/dbraw/zinc/66/72/21/750667221.db2.gz IOCRCXXKMRVRSH-PMPSAXMXSA-N 2 2 314.433 1.705 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413430 750667223 /nfs/dbraw/zinc/66/72/23/750667223.db2.gz IOCRCXXKMRVRSH-PMPSAXMXSA-N 2 2 314.433 1.705 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238707 750717734 /nfs/dbraw/zinc/71/77/34/750717734.db2.gz VNXSQTSKBUJFRK-UHFFFAOYSA-N 2 2 310.829 1.686 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514441 751154561 /nfs/dbraw/zinc/15/45/61/751154561.db2.gz PTKYVOBMWRUMDV-GJZGRUSLSA-N 2 2 309.373 1.352 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514441 751154563 /nfs/dbraw/zinc/15/45/63/751154563.db2.gz PTKYVOBMWRUMDV-GJZGRUSLSA-N 2 2 309.373 1.352 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC001036253035 752306549 /nfs/dbraw/zinc/30/65/49/752306549.db2.gz OKQWKMRUMYZHGF-HOCLYGCPSA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999167518 752594789 /nfs/dbraw/zinc/59/47/89/752594789.db2.gz GANLTQZADXGXRW-OFLPRAFFSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999167518 752594793 /nfs/dbraw/zinc/59/47/93/752594793.db2.gz GANLTQZADXGXRW-OFLPRAFFSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999216143 752663121 /nfs/dbraw/zinc/66/31/21/752663121.db2.gz OCBKDPFNRIMQNA-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436033 762194621 /nfs/dbraw/zinc/19/46/21/762194621.db2.gz HZQVUDMGWCHYID-DOTOQJQBSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436033 762194622 /nfs/dbraw/zinc/19/46/22/762194622.db2.gz HZQVUDMGWCHYID-DOTOQJQBSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCC)CCO1 ZINC001108004296 753483729 /nfs/dbraw/zinc/48/37/29/753483729.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108004296 753483734 /nfs/dbraw/zinc/48/37/34/753483734.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCCC)CCO1 ZINC001108004296 753483740 /nfs/dbraw/zinc/48/37/40/753483740.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCCC)CCO1 ZINC001108004296 753483743 /nfs/dbraw/zinc/48/37/43/753483743.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 2 321.465 1.091 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369482 753821308 /nfs/dbraw/zinc/82/13/08/753821308.db2.gz LAGVSNKSCLEFDW-WFASDCNBSA-N 2 2 318.446 1.404 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369482 753821315 /nfs/dbraw/zinc/82/13/15/753821315.db2.gz LAGVSNKSCLEFDW-WFASDCNBSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010369482 753821321 /nfs/dbraw/zinc/82/13/21/753821321.db2.gz LAGVSNKSCLEFDW-WFASDCNBSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010369482 753821331 /nfs/dbraw/zinc/82/13/31/753821331.db2.gz LAGVSNKSCLEFDW-WFASDCNBSA-N 2 2 318.446 1.404 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)n[nH]2)CC1 ZINC001118264261 754767140 /nfs/dbraw/zinc/76/71/40/754767140.db2.gz AFHFWHYFLYRKEJ-UHFFFAOYSA-N 2 2 306.410 1.717 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080418955 755907500 /nfs/dbraw/zinc/90/75/00/755907500.db2.gz 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IMKRASQMYGDPBI-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC=C ZINC001049528829 770983436 /nfs/dbraw/zinc/98/34/36/770983436.db2.gz IMKRASQMYGDPBI-IKGGRYGDSA-N 2 2 301.434 1.335 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869066 771220541 /nfs/dbraw/zinc/22/05/41/771220541.db2.gz BRXBVOZUHCUYQW-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869066 771220545 /nfs/dbraw/zinc/22/05/45/771220545.db2.gz BRXBVOZUHCUYQW-IAGOWNOFSA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170986815 772027050 /nfs/dbraw/zinc/02/70/50/772027050.db2.gz BOIJJJNFUYQTKC-UHFFFAOYSA-N 2 2 313.405 1.943 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N(C)C)c[nH+]1 ZINC001171070025 772223168 /nfs/dbraw/zinc/22/31/68/772223168.db2.gz WLAYMQQHAYTRRC-AWEZNQCLSA-N 2 2 306.410 1.786 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785404 773805662 /nfs/dbraw/zinc/80/56/62/773805662.db2.gz APCNCLIPWKBFRP-KDOFPFPSSA-N 2 2 308.385 1.590 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785404 773805668 /nfs/dbraw/zinc/80/56/68/773805668.db2.gz APCNCLIPWKBFRP-KDOFPFPSSA-N 2 2 308.385 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747782 774469077 /nfs/dbraw/zinc/46/90/77/774469077.db2.gz RNYFKFQTMVOAIU-ZBFHGGJFSA-N 2 2 315.417 1.742 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747782 774469079 /nfs/dbraw/zinc/46/90/79/774469079.db2.gz RNYFKFQTMVOAIU-ZBFHGGJFSA-N 2 2 315.417 1.742 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771901 774562959 /nfs/dbraw/zinc/56/29/59/774562959.db2.gz OMPPKFXTHPCGOU-HUUCEWRRSA-N 2 2 308.385 1.504 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771901 774562962 /nfs/dbraw/zinc/56/29/62/774562962.db2.gz OMPPKFXTHPCGOU-HUUCEWRRSA-N 2 2 308.385 1.504 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309943 774942074 /nfs/dbraw/zinc/94/20/74/774942074.db2.gz HGLIAUNQXMVNPI-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309943 774942076 /nfs/dbraw/zinc/94/20/76/774942076.db2.gz HGLIAUNQXMVNPI-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324694 774947681 /nfs/dbraw/zinc/94/76/81/774947681.db2.gz QHJUKNCEMCCJAI-OAHLLOKOSA-N 2 2 316.449 1.891 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324694 774947682 /nfs/dbraw/zinc/94/76/82/774947682.db2.gz QHJUKNCEMCCJAI-OAHLLOKOSA-N 2 2 316.449 1.891 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001100456984 776181768 /nfs/dbraw/zinc/18/17/68/776181768.db2.gz LXYDQOVGHRIXRI-SLTAFYQDSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514965 778179879 /nfs/dbraw/zinc/17/98/79/778179879.db2.gz WUEYHBCVZXPITQ-DGCLKSJQSA-N 2 2 310.829 1.399 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514965 778179882 /nfs/dbraw/zinc/17/98/82/778179882.db2.gz WUEYHBCVZXPITQ-DGCLKSJQSA-N 2 2 310.829 1.399 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885216 779538116 /nfs/dbraw/zinc/53/81/16/779538116.db2.gz FPZVSKLQAFKWQX-ZOBUZTSGSA-N 2 2 300.406 1.438 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885216 779538121 /nfs/dbraw/zinc/53/81/21/779538121.db2.gz FPZVSKLQAFKWQX-ZOBUZTSGSA-N 2 2 300.406 1.438 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016184 779818811 /nfs/dbraw/zinc/81/88/11/779818811.db2.gz RCZQUQMHMLTUFF-HALDLXJZSA-N 2 2 304.438 1.969 20 30 DDEDLP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016184 779818819 /nfs/dbraw/zinc/81/88/19/779818819.db2.gz RCZQUQMHMLTUFF-HALDLXJZSA-N 2 2 304.438 1.969 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084207 781753006 /nfs/dbraw/zinc/75/30/06/781753006.db2.gz FEEUGCGNNIRZAG-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccn1 ZINC001267243361 837592269 /nfs/dbraw/zinc/59/22/69/837592269.db2.gz VMJZBTRJNARKAC-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccn1 ZINC001267243361 837592272 /nfs/dbraw/zinc/59/22/72/837592272.db2.gz VMJZBTRJNARKAC-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccn1 ZINC001267243361 837592274 /nfs/dbraw/zinc/59/22/74/837592274.db2.gz VMJZBTRJNARKAC-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccn1 ZINC001267243361 837592278 /nfs/dbraw/zinc/59/22/78/837592278.db2.gz VMJZBTRJNARKAC-KRWDZBQOSA-N 2 2 314.433 1.117 20 30 DDEDLP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001266381993 836189761 /nfs/dbraw/zinc/18/97/61/836189761.db2.gz DDIDBULMPBGPGE-HNNXBMFYSA-N 2 2 302.422 1.820 20 30 DDEDLP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266411135 836220552 /nfs/dbraw/zinc/22/05/52/836220552.db2.gz NSNQFZWRENNYOM-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266411135 836220559 /nfs/dbraw/zinc/22/05/59/836220559.db2.gz NSNQFZWRENNYOM-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001266411135 836220566 /nfs/dbraw/zinc/22/05/66/836220566.db2.gz NSNQFZWRENNYOM-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001266411135 836220569 /nfs/dbraw/zinc/22/05/69/836220569.db2.gz NSNQFZWRENNYOM-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266873723 836980114 /nfs/dbraw/zinc/98/01/14/836980114.db2.gz XCNYFLZTWPYSEP-WBVHZDCISA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267047988 837248051 /nfs/dbraw/zinc/24/80/51/837248051.db2.gz SDUUAGNKYAISSS-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267060096 837268769 /nfs/dbraw/zinc/26/87/69/837268769.db2.gz DASYTKLAYGZNHG-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267060096 837268780 /nfs/dbraw/zinc/26/87/80/837268780.db2.gz DASYTKLAYGZNHG-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267724457 838740918 /nfs/dbraw/zinc/74/09/18/838740918.db2.gz VLLJZVZXDUPKMR-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267724457 838740925 /nfs/dbraw/zinc/74/09/25/838740925.db2.gz VLLJZVZXDUPKMR-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267733391 838779625 /nfs/dbraw/zinc/77/96/25/838779625.db2.gz NEXMMDMCIUZIFS-MRXNPFEDSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267733391 838779629 /nfs/dbraw/zinc/77/96/29/838779629.db2.gz NEXMMDMCIUZIFS-MRXNPFEDSA-N 2 2 314.433 1.249 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730945 840726656 /nfs/dbraw/zinc/72/66/56/840726656.db2.gz KIPRVWBMEIHVQB-BBRMVZONSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730945 840726666 /nfs/dbraw/zinc/72/66/66/840726666.db2.gz KIPRVWBMEIHVQB-BBRMVZONSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730945 840726675 /nfs/dbraw/zinc/72/66/75/840726675.db2.gz KIPRVWBMEIHVQB-BBRMVZONSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730945 840726682 /nfs/dbraw/zinc/72/66/82/840726682.db2.gz KIPRVWBMEIHVQB-BBRMVZONSA-N 2 2 319.453 1.803 20 30 DDEDLP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272111994 844622478 /nfs/dbraw/zinc/62/24/78/844622478.db2.gz YTKRREDNEOTEDL-HNNXBMFYSA-N 2 2 302.422 1.167 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001272111994 844622483 /nfs/dbraw/zinc/62/24/83/844622483.db2.gz YTKRREDNEOTEDL-HNNXBMFYSA-N 2 2 302.422 1.167 20 30 DDEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC)CC1 ZINC001270345664 842502563 /nfs/dbraw/zinc/50/25/63/842502563.db2.gz KDHRLCKUDHYQJV-UHFFFAOYSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCCC)CC1 ZINC001270368877 842520492 /nfs/dbraw/zinc/52/04/92/842520492.db2.gz JTSBWEKEJGMJQM-UHFFFAOYSA-N 2 2 316.449 2.000 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001326386822 861321454 /nfs/dbraw/zinc/32/14/54/861321454.db2.gz LBARMZNSDHKBIN-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001326386822 861321469 /nfs/dbraw/zinc/32/14/69/861321469.db2.gz LBARMZNSDHKBIN-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001270744824 842868208 /nfs/dbraw/zinc/86/82/08/842868208.db2.gz OZDQUOROLLWMJQ-QGZVFWFLSA-N 2 2 301.390 1.094 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC)C1 ZINC001034249608 848156401 /nfs/dbraw/zinc/15/64/01/848156401.db2.gz LUBHJEWIWCJZSW-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC)C1 ZINC001034249608 848156409 /nfs/dbraw/zinc/15/64/09/848156409.db2.gz LUBHJEWIWCJZSW-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034249608 848156414 /nfs/dbraw/zinc/15/64/14/848156414.db2.gz LUBHJEWIWCJZSW-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034249608 848156416 /nfs/dbraw/zinc/15/64/16/848156416.db2.gz LUBHJEWIWCJZSW-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401916 848468297 /nfs/dbraw/zinc/46/82/97/848468297.db2.gz WXNRZOYAJNYCKZ-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001273711760 851255855 /nfs/dbraw/zinc/25/58/55/851255855.db2.gz IAKFOHHAZDZZOE-KRWDZBQOSA-N 2 2 309.454 1.065 20 30 DDEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001273711760 851255858 /nfs/dbraw/zinc/25/58/58/851255858.db2.gz IAKFOHHAZDZZOE-KRWDZBQOSA-N 2 2 309.454 1.065 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049557259 856973998 /nfs/dbraw/zinc/97/39/98/856973998.db2.gz FRKRRTINNSVXIV-DJIMGWMZSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049557259 856974002 /nfs/dbraw/zinc/97/40/02/856974002.db2.gz FRKRRTINNSVXIV-DJIMGWMZSA-N 2 2 312.417 1.144 20 30 DDEDLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4c3cccc4C#N)C2)CC1 ZINC001139706792 860459280 /nfs/dbraw/zinc/45/92/80/860459280.db2.gz IDOJAJCEOFBFHK-UHFFFAOYSA-N 2 2 309.417 1.471 20 30 DDEDLP C=C[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001331954169 865455900 /nfs/dbraw/zinc/45/59/00/865455900.db2.gz GVSRVPHYYIMYJL-KRWDZBQOSA-N 2 2 320.433 1.688 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001332400638 865813994 /nfs/dbraw/zinc/81/39/94/865813994.db2.gz XYCUOFDBKSKXIH-CABCVRRESA-N 2 2 314.433 1.295 20 30 DDEDLP COCC#CC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160527761 865913793 /nfs/dbraw/zinc/91/37/93/865913793.db2.gz BBQVWJHABQKPGJ-INIZCTEOSA-N 2 2 320.437 1.216 20 30 DDEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332546565 865922887 /nfs/dbraw/zinc/92/28/87/865922887.db2.gz IJRCVUPBXAJYRZ-OAHLLOKOSA-N 2 2 305.422 1.605 20 30 DDEDLP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCCO1 ZINC001335857498 868580782 /nfs/dbraw/zinc/58/07/82/868580782.db2.gz RSSOMBBKTGWBGC-AWEZNQCLSA-N 2 2 307.442 1.786 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317040543 870150826 /nfs/dbraw/zinc/15/08/26/870150826.db2.gz QOIGZZKDADRRGL-OAHLLOKOSA-N 2 2 316.449 1.881 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001317040543 870150832 /nfs/dbraw/zinc/15/08/32/870150832.db2.gz QOIGZZKDADRRGL-OAHLLOKOSA-N 2 2 316.449 1.881 20 30 DDEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001203760916 870744082 /nfs/dbraw/zinc/74/40/82/870744082.db2.gz SSXJTRHGMHWFSE-UHFFFAOYSA-N 2 2 303.406 1.875 20 30 DDEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001203760916 870744088 /nfs/dbraw/zinc/74/40/88/870744088.db2.gz SSXJTRHGMHWFSE-UHFFFAOYSA-N 2 2 303.406 1.875 20 30 DDEDLP C=CCCC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001317552821 871060741 /nfs/dbraw/zinc/06/07/41/871060741.db2.gz CWXDRZDDRMFQKP-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001317552821 871060762 /nfs/dbraw/zinc/06/07/62/871060762.db2.gz CWXDRZDDRMFQKP-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317619917 871222089 /nfs/dbraw/zinc/22/20/89/871222089.db2.gz CHJHRQPUNHNKIR-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317619917 871222100 /nfs/dbraw/zinc/22/21/00/871222100.db2.gz CHJHRQPUNHNKIR-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317685916 871407057 /nfs/dbraw/zinc/40/70/57/871407057.db2.gz MKBICWAXQVAUQR-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317685916 871407066 /nfs/dbraw/zinc/40/70/66/871407066.db2.gz MKBICWAXQVAUQR-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512408 871598213 /nfs/dbraw/zinc/59/82/13/871598213.db2.gz LBBQBWBYQKNMJG-UHFFFAOYSA-N 2 2 316.449 1.778 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001205762612 871792401 /nfs/dbraw/zinc/79/24/01/871792401.db2.gz KKOMYSSBPJYPIM-QGZVFWFLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001205762612 871792403 /nfs/dbraw/zinc/79/24/03/871792403.db2.gz KKOMYSSBPJYPIM-QGZVFWFLSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316918029 872359891 /nfs/dbraw/zinc/35/98/91/872359891.db2.gz NRZMPDBZAYOEMG-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316918029 872359910 /nfs/dbraw/zinc/35/99/10/872359910.db2.gz NRZMPDBZAYOEMG-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299063 873975302 /nfs/dbraw/zinc/97/53/02/873975302.db2.gz IQJVYCIRFZLNAD-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299063 873975312 /nfs/dbraw/zinc/97/53/12/873975312.db2.gz IQJVYCIRFZLNAD-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208454554 874157886 /nfs/dbraw/zinc/15/78/86/874157886.db2.gz XYOIXMYCDOLVCA-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208738478 874432386 /nfs/dbraw/zinc/43/23/86/874432386.db2.gz OSMKHGLSPLRBCK-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738478 874432392 /nfs/dbraw/zinc/43/23/92/874432392.db2.gz OSMKHGLSPLRBCK-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209161586 874701708 /nfs/dbraw/zinc/70/17/08/874701708.db2.gz MZBAEOKVNULTLX-QGZVFWFLSA-N 2 2 317.481 1.529 20 30 DDEDLP C=CCCC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209161586 874701713 /nfs/dbraw/zinc/70/17/13/874701713.db2.gz MZBAEOKVNULTLX-QGZVFWFLSA-N 2 2 317.481 1.529 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001379384046 876962927 /nfs/dbraw/zinc/96/29/27/876962927.db2.gz YOSAZMVVZCOOEA-SNVBAGLBSA-N 2 2 300.790 1.197 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)N1CC#N ZINC001353605185 877444535 /nfs/dbraw/zinc/44/45/35/877444535.db2.gz JAPRJKLNWWGIAI-GASCZTMLSA-N 2 2 310.405 1.685 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)N1CC#N ZINC001353605185 877444542 /nfs/dbraw/zinc/44/45/42/877444542.db2.gz JAPRJKLNWWGIAI-GASCZTMLSA-N 2 2 310.405 1.685 20 30 DDEDLP CC(C)(C#N)c1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218581308 877589415 /nfs/dbraw/zinc/58/94/15/877589415.db2.gz JKPKUCPTCONCDT-UHFFFAOYSA-N 2 2 301.394 1.163 20 30 DDEDLP C[C@H](C#N)c1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218871741 877779269 /nfs/dbraw/zinc/77/92/69/877779269.db2.gz QZEZAVKEZJZWNP-MLGOLLRUSA-N 2 2 315.421 1.003 20 30 DDEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001218887882 877786281 /nfs/dbraw/zinc/78/62/81/877786281.db2.gz AHLPXFUUJDEMLJ-KRWDZBQOSA-N 2 2 318.396 1.257 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001356074691 878857729 /nfs/dbraw/zinc/85/77/29/878857729.db2.gz IUWMQNKDBBGXEM-HUUCEWRRSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001356074691 878857738 /nfs/dbraw/zinc/85/77/38/878857738.db2.gz IUWMQNKDBBGXEM-HUUCEWRRSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001356074691 878857748 /nfs/dbraw/zinc/85/77/48/878857748.db2.gz IUWMQNKDBBGXEM-HUUCEWRRSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001356074691 878857755 /nfs/dbraw/zinc/85/77/55/878857755.db2.gz IUWMQNKDBBGXEM-HUUCEWRRSA-N 2 2 318.469 1.761 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001220380994 878966241 /nfs/dbraw/zinc/96/62/41/878966241.db2.gz FPMQAMUTVUAKMN-ROUUACIJSA-N 2 2 311.429 1.358 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001220380994 878966250 /nfs/dbraw/zinc/96/62/50/878966250.db2.gz FPMQAMUTVUAKMN-ROUUACIJSA-N 2 2 311.429 1.358 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872926 880126799 /nfs/dbraw/zinc/12/67/99/880126799.db2.gz KUCKLVKOAOUPMZ-IAGOWNOFSA-N 2 2 314.433 1.528 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872926 880126818 /nfs/dbraw/zinc/12/68/18/880126818.db2.gz KUCKLVKOAOUPMZ-IAGOWNOFSA-N 2 2 314.433 1.528 20 30 DDEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093510 880240975 /nfs/dbraw/zinc/24/09/75/880240975.db2.gz DSLKYPPMJFRGOR-QZTJIDSGSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093510 880240988 /nfs/dbraw/zinc/24/09/88/880240988.db2.gz DSLKYPPMJFRGOR-QZTJIDSGSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093510 880241002 /nfs/dbraw/zinc/24/10/02/880241002.db2.gz DSLKYPPMJFRGOR-QZTJIDSGSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222093510 880241012 /nfs/dbraw/zinc/24/10/12/880241012.db2.gz DSLKYPPMJFRGOR-QZTJIDSGSA-N 2 2 311.429 1.284 20 30 DDEDLP C=CCOc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222491445 880504447 /nfs/dbraw/zinc/50/44/47/880504447.db2.gz BKGJTWVHFCFFAN-ROUUACIJSA-N 2 2 301.434 1.777 20 30 DDEDLP C=CCOc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222491445 880504455 /nfs/dbraw/zinc/50/44/55/880504455.db2.gz BKGJTWVHFCFFAN-ROUUACIJSA-N 2 2 301.434 1.777 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277662734 886351177 /nfs/dbraw/zinc/35/11/77/886351177.db2.gz NEYTVABVGZFVCU-NVXWUHKLSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402325 887937209 /nfs/dbraw/zinc/93/72/09/887937209.db2.gz KUKNTKYCOHZJOT-CVEARBPZSA-N 2 2 316.449 1.953 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234402325 887937215 /nfs/dbraw/zinc/93/72/15/887937215.db2.gz KUKNTKYCOHZJOT-CVEARBPZSA-N 2 2 316.449 1.953 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001277913258 888284803 /nfs/dbraw/zinc/28/48/03/888284803.db2.gz DTNDHAQZKDMWGS-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001277913258 888284821 /nfs/dbraw/zinc/28/48/21/888284821.db2.gz DTNDHAQZKDMWGS-RDJZCZTQSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCOCC[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001278632054 894648689 /nfs/dbraw/zinc/64/86/89/894648689.db2.gz DJABEDXJZJTGEW-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001279005588 897795593 /nfs/dbraw/zinc/79/55/93/897795593.db2.gz CNFGGGXANXWANP-LSDHHAIUSA-N 2 2 315.417 1.483 20 30 DDEDLP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001263957504 900841648 /nfs/dbraw/zinc/84/16/48/900841648.db2.gz FFZOWLHCYOQKRU-ZBFHGGJFSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264080860 900920218 /nfs/dbraw/zinc/92/02/18/900920218.db2.gz XXKJKNCXYXJTJW-OAHLLOKOSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264080860 900920234 /nfs/dbraw/zinc/92/02/34/900920234.db2.gz XXKJKNCXYXJTJW-OAHLLOKOSA-N 2 2 320.437 1.204 20 30 DDEDLP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001265025847 901452515 /nfs/dbraw/zinc/45/25/15/901452515.db2.gz JQDSBCYNMHELSH-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001265025847 901452517 /nfs/dbraw/zinc/45/25/17/901452517.db2.gz JQDSBCYNMHELSH-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001265025847 901452518 /nfs/dbraw/zinc/45/25/18/901452518.db2.gz JQDSBCYNMHELSH-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001265025847 901452520 /nfs/dbraw/zinc/45/25/20/901452520.db2.gz JQDSBCYNMHELSH-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265615592 902205871 /nfs/dbraw/zinc/20/58/71/902205871.db2.gz KZTDNIXGOGDILE-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccns1 ZINC001265865398 902509909 /nfs/dbraw/zinc/50/99/09/902509909.db2.gz ZVDMOPFHRVNXBT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccns1 ZINC001265865398 902509915 /nfs/dbraw/zinc/50/99/15/902509915.db2.gz ZVDMOPFHRVNXBT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccns1 ZINC001265865398 902509927 /nfs/dbraw/zinc/50/99/27/902509927.db2.gz ZVDMOPFHRVNXBT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccns1 ZINC001265865398 902509938 /nfs/dbraw/zinc/50/99/38/902509938.db2.gz ZVDMOPFHRVNXBT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001280197193 903544076 /nfs/dbraw/zinc/54/40/76/903544076.db2.gz FUXYSWIUFBIVPD-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001281681365 905155543 /nfs/dbraw/zinc/15/55/43/905155543.db2.gz AQEYMFIMDBPTBD-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001281681365 905155556 /nfs/dbraw/zinc/15/55/56/905155556.db2.gz AQEYMFIMDBPTBD-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[NH2+]CC1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001282013918 905406577 /nfs/dbraw/zinc/40/65/77/905406577.db2.gz OIWBZLZCNOAYHX-UHFFFAOYSA-N 2 2 303.406 1.693 20 30 DDEDLP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1C#N ZINC001377366907 921145759 /nfs/dbraw/zinc/14/57/59/921145759.db2.gz VSDJUOXVOCTQBT-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1C#N ZINC001377366907 921145769 /nfs/dbraw/zinc/14/57/69/921145769.db2.gz VSDJUOXVOCTQBT-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP C[C@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001283913392 908171309 /nfs/dbraw/zinc/17/13/09/908171309.db2.gz LKDQPQMKEQZVCA-MAUKXSAKSA-N 2 2 322.412 1.583 20 30 DDEDLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001373800353 911035314 /nfs/dbraw/zinc/03/53/14/911035314.db2.gz JKOJKEDAGGAZCJ-HNNXBMFYSA-N 2 2 311.389 1.508 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926716 353784014 /nfs/dbraw/zinc/78/40/14/353784014.db2.gz AHTVSNFFCNECGZ-OAHLLOKOSA-N 2 2 319.453 1.355 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)[C@@H]2C1 ZINC000329301419 283061663 /nfs/dbraw/zinc/06/16/63/283061663.db2.gz WFEHUZSIQAJTRN-QLFBSQMISA-N 2 2 317.437 1.701 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)[C@@H]2C1 ZINC000329301419 283061665 /nfs/dbraw/zinc/06/16/65/283061665.db2.gz WFEHUZSIQAJTRN-QLFBSQMISA-N 2 2 317.437 1.701 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000594440693 356215588 /nfs/dbraw/zinc/21/55/88/356215588.db2.gz HUIFBCWNRPSCCE-AWEZNQCLSA-N 2 2 320.462 1.634 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000594440693 356215591 /nfs/dbraw/zinc/21/55/91/356215591.db2.gz HUIFBCWNRPSCCE-AWEZNQCLSA-N 2 2 320.462 1.634 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000594718282 356295101 /nfs/dbraw/zinc/29/51/01/356295101.db2.gz NCOMACCDKZWFTP-HOTGVXAUSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000594718282 356295103 /nfs/dbraw/zinc/29/51/03/356295103.db2.gz NCOMACCDKZWFTP-HOTGVXAUSA-N 2 2 317.433 1.760 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536954 283169867 /nfs/dbraw/zinc/16/98/67/283169867.db2.gz URROJGLBGMUYEX-INIZCTEOSA-N 2 2 304.438 1.357 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536954 283169872 /nfs/dbraw/zinc/16/98/72/283169872.db2.gz URROJGLBGMUYEX-INIZCTEOSA-N 2 2 304.438 1.357 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536954 283169878 /nfs/dbraw/zinc/16/98/78/283169878.db2.gz URROJGLBGMUYEX-INIZCTEOSA-N 2 2 304.438 1.357 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)C1 ZINC000366536954 283169880 /nfs/dbraw/zinc/16/98/80/283169880.db2.gz URROJGLBGMUYEX-INIZCTEOSA-N 2 2 304.438 1.357 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2nc3ncccc3cc2C#N)CC1 ZINC000596151124 356791923 /nfs/dbraw/zinc/79/19/23/356791923.db2.gz OGGYUEWYKBNJJR-UHFFFAOYSA-N 2 2 324.432 1.939 20 30 DDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598615531 357654628 /nfs/dbraw/zinc/65/46/28/357654628.db2.gz CNWKFOQMDHTEIR-HOCLYGCPSA-N 2 2 309.454 1.472 20 30 DDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598615531 357654631 /nfs/dbraw/zinc/65/46/31/357654631.db2.gz CNWKFOQMDHTEIR-HOCLYGCPSA-N 2 2 309.454 1.472 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000600713170 358291522 /nfs/dbraw/zinc/29/15/22/358291522.db2.gz GSFOPWWUMNFIJY-HNNXBMFYSA-N 2 2 300.362 1.174 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000602509942 359020398 /nfs/dbraw/zinc/02/03/98/359020398.db2.gz IGOHEPLAXREDPI-INIZCTEOSA-N 2 2 316.453 1.518 20 30 DDEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910614 359701452 /nfs/dbraw/zinc/70/14/52/359701452.db2.gz VMUNTEPTVUJDSQ-RTXFEEFZSA-N 2 2 318.808 1.690 20 30 DDEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910614 359701456 /nfs/dbraw/zinc/70/14/56/359701456.db2.gz VMUNTEPTVUJDSQ-RTXFEEFZSA-N 2 2 318.808 1.690 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836695 406942809 /nfs/dbraw/zinc/94/28/09/406942809.db2.gz UKJPHFBWZDPPMC-SJLPKXTDSA-N 2 2 320.481 1.849 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836695 406942811 /nfs/dbraw/zinc/94/28/11/406942811.db2.gz UKJPHFBWZDPPMC-SJLPKXTDSA-N 2 2 320.481 1.849 20 30 DDEDLP C=CC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000125574220 407392094 /nfs/dbraw/zinc/39/20/94/407392094.db2.gz XCUIWFKYTWRWHU-PMRDEQMMSA-N 2 2 320.481 1.903 20 30 DDEDLP C=CC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125574220 407392095 /nfs/dbraw/zinc/39/20/95/407392095.db2.gz XCUIWFKYTWRWHU-PMRDEQMMSA-N 2 2 320.481 1.903 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850980 408212276 /nfs/dbraw/zinc/21/22/76/408212276.db2.gz HPOARNRDHJEHEH-IAGOWNOFSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150850980 408212281 /nfs/dbraw/zinc/21/22/81/408212281.db2.gz HPOARNRDHJEHEH-IAGOWNOFSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000177912707 408735954 /nfs/dbraw/zinc/73/59/54/408735954.db2.gz OZXFVIGMUGYJIB-CQSZACIVSA-N 2 2 312.421 1.963 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280546444 409352528 /nfs/dbraw/zinc/35/25/28/409352528.db2.gz UBYFLZCYGCCYLJ-RYQLBKOJSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280546444 409352534 /nfs/dbraw/zinc/35/25/34/409352534.db2.gz UBYFLZCYGCCYLJ-RYQLBKOJSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280546444 409352542 /nfs/dbraw/zinc/35/25/42/409352542.db2.gz UBYFLZCYGCCYLJ-RYQLBKOJSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280546444 409352551 /nfs/dbraw/zinc/35/25/51/409352551.db2.gz UBYFLZCYGCCYLJ-RYQLBKOJSA-N 2 2 311.429 1.188 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncnc3)CC2)CC1 ZINC000329594146 410374340 /nfs/dbraw/zinc/37/43/40/410374340.db2.gz UWSGETUNLGZWEB-UHFFFAOYSA-N 2 2 303.410 1.340 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329757522 410434425 /nfs/dbraw/zinc/43/44/25/410434425.db2.gz ZKGFBMZORARQMA-ZIAGYGMSSA-N 2 2 317.437 1.741 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329757522 410434432 /nfs/dbraw/zinc/43/44/32/410434432.db2.gz ZKGFBMZORARQMA-ZIAGYGMSSA-N 2 2 317.437 1.741 20 30 DDEDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1C#N ZINC000340144198 410703945 /nfs/dbraw/zinc/70/39/45/410703945.db2.gz UOUAZCKMWLDZND-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1C#N ZINC000340144198 410703947 /nfs/dbraw/zinc/70/39/47/410703947.db2.gz UOUAZCKMWLDZND-UHFFFAOYSA-N 2 2 303.406 1.455 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000238138419 222209555 /nfs/dbraw/zinc/20/95/55/222209555.db2.gz ASUIYJHCULXRHR-UHFFFAOYSA-N 2 2 302.418 1.635 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245441260 222215917 /nfs/dbraw/zinc/21/59/17/222215917.db2.gz HELINMVRHCSRSK-CVEARBPZSA-N 2 2 308.470 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245441260 222215921 /nfs/dbraw/zinc/21/59/21/222215921.db2.gz HELINMVRHCSRSK-CVEARBPZSA-N 2 2 308.470 1.658 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N1CCSCC1 ZINC000262003786 222269229 /nfs/dbraw/zinc/26/92/29/222269229.db2.gz QPQXVOIIXUOBIV-UHFFFAOYSA-N 2 2 316.434 1.439 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCSC(C)(C)C1 ZINC000262032150 222272053 /nfs/dbraw/zinc/27/20/53/222272053.db2.gz XFONHDIIQJHLCL-UHFFFAOYSA-N 2 2 324.498 1.389 20 30 DDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@@H]1CCCO1 ZINC000262594140 222286699 /nfs/dbraw/zinc/28/66/99/222286699.db2.gz WAVYALMNANWWNI-AWEZNQCLSA-N 2 2 315.421 1.689 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000262708242 222291138 /nfs/dbraw/zinc/29/11/38/222291138.db2.gz ODQOUZBIYNTLEF-HNNXBMFYSA-N 2 2 304.394 1.285 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000262708242 222291140 /nfs/dbraw/zinc/29/11/40/222291140.db2.gz ODQOUZBIYNTLEF-HNNXBMFYSA-N 2 2 304.394 1.285 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000377260682 418707785 /nfs/dbraw/zinc/70/77/85/418707785.db2.gz FNSPHADYTFEKQR-AWEZNQCLSA-N 2 2 303.410 1.362 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000377260682 418707787 /nfs/dbraw/zinc/70/77/87/418707787.db2.gz FNSPHADYTFEKQR-AWEZNQCLSA-N 2 2 303.410 1.362 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](CCCCC(C)(C)C#N)CC2)C(=O)C1 ZINC000369319275 418731689 /nfs/dbraw/zinc/73/16/89/418731689.db2.gz LVHXYJHKLLVQCU-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](CCCCC(C)(C)C#N)CC2)C(=O)C1 ZINC000369319275 418731692 /nfs/dbraw/zinc/73/16/92/418731692.db2.gz LVHXYJHKLLVQCU-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371543950 418799449 /nfs/dbraw/zinc/79/94/49/418799449.db2.gz RRKUMJJFAVREQX-MRXNPFEDSA-N 2 2 302.422 1.577 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371543950 418799451 /nfs/dbraw/zinc/79/94/51/418799451.db2.gz RRKUMJJFAVREQX-MRXNPFEDSA-N 2 2 302.422 1.577 20 30 DDEDLP C#CCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372171375 418841561 /nfs/dbraw/zinc/84/15/61/418841561.db2.gz AMQWBCJHUPBXQH-INIZCTEOSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372171375 418841563 /nfs/dbraw/zinc/84/15/63/418841563.db2.gz AMQWBCJHUPBXQH-INIZCTEOSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373073956 418927293 /nfs/dbraw/zinc/92/72/93/418927293.db2.gz IGFSUZIOEWONPO-MRXNPFEDSA-N 2 2 314.433 1.471 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)CC#N)CC1 ZINC000458600795 420695190 /nfs/dbraw/zinc/69/51/90/420695190.db2.gz RJSNXQVMXUWZHF-UHFFFAOYSA-N 2 2 309.458 1.251 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000527297862 421375458 /nfs/dbraw/zinc/37/54/58/421375458.db2.gz AAYRIJADYJOLDB-CHWSQXEVSA-N 2 2 301.394 1.540 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000527297862 421375460 /nfs/dbraw/zinc/37/54/60/421375460.db2.gz AAYRIJADYJOLDB-CHWSQXEVSA-N 2 2 301.394 1.540 20 30 DDEDLP C=CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000661570523 423907995 /nfs/dbraw/zinc/90/79/95/423907995.db2.gz OMYDPNVSCSAEDX-XYPWUTKMSA-N 2 2 306.454 1.515 20 30 DDEDLP C=CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000661570523 423908006 /nfs/dbraw/zinc/90/80/06/423908006.db2.gz OMYDPNVSCSAEDX-XYPWUTKMSA-N 2 2 306.454 1.515 20 30 DDEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789099 423988336 /nfs/dbraw/zinc/98/83/36/423988336.db2.gz YPPRXCNOAFKABQ-OKZBNKHCSA-N 2 2 309.498 1.973 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000662663842 424727140 /nfs/dbraw/zinc/72/71/40/424727140.db2.gz KXQLCUXLMWXAAB-DOTOQJQBSA-N 2 2 307.438 1.008 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833779 424782674 /nfs/dbraw/zinc/78/26/74/424782674.db2.gz QPIXKOSVFUSLQD-PNBKFKSVSA-N 2 2 309.454 1.299 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833779 424782677 /nfs/dbraw/zinc/78/26/77/424782677.db2.gz QPIXKOSVFUSLQD-PNBKFKSVSA-N 2 2 309.454 1.299 20 30 DDEDLP CN(C)c1nc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc[nH+]1 ZINC000407988488 273825594 /nfs/dbraw/zinc/82/55/94/273825594.db2.gz FILNDHPOGCBQSE-KGLIPLIRSA-N 2 2 300.410 1.357 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000562268175 332566545 /nfs/dbraw/zinc/56/65/45/332566545.db2.gz TYRYEZCYNSZFIX-UHFFFAOYSA-N 2 2 314.380 1.068 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798790 341276158 /nfs/dbraw/zinc/27/61/58/341276158.db2.gz CSCIPIQCEQWFCO-ZDUSSCGKSA-N 2 2 301.394 1.039 20 30 DDEDLP N#CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798790 341276159 /nfs/dbraw/zinc/27/61/59/341276159.db2.gz CSCIPIQCEQWFCO-ZDUSSCGKSA-N 2 2 301.394 1.039 20 30 DDEDLP CC#CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681538643 486448698 /nfs/dbraw/zinc/44/86/98/486448698.db2.gz JMRMWZBLTVSKOY-INIZCTEOSA-N 2 2 306.454 1.210 20 30 DDEDLP CC#CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681538643 486448703 /nfs/dbraw/zinc/44/87/03/486448703.db2.gz JMRMWZBLTVSKOY-INIZCTEOSA-N 2 2 306.454 1.210 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C ZINC000329737324 533886831 /nfs/dbraw/zinc/88/68/31/533886831.db2.gz MBASRLZSMPVMSA-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C ZINC000329737324 533886842 /nfs/dbraw/zinc/88/68/42/533886842.db2.gz MBASRLZSMPVMSA-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000329737324 533886847 /nfs/dbraw/zinc/88/68/47/533886847.db2.gz MBASRLZSMPVMSA-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000329737324 533886852 /nfs/dbraw/zinc/88/68/52/533886852.db2.gz MBASRLZSMPVMSA-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP Cc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252525 534034486 /nfs/dbraw/zinc/03/44/86/534034486.db2.gz ZSDCJIFNKNMJOV-ZWKOTPCHSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252525 534034494 /nfs/dbraw/zinc/03/44/94/534034494.db2.gz ZSDCJIFNKNMJOV-ZWKOTPCHSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)CCC2 ZINC000330101364 534510515 /nfs/dbraw/zinc/51/05/15/534510515.db2.gz FLUIOHZKAMTHSU-CABCVRRESA-N 2 2 319.453 1.866 20 30 DDEDLP C=CCOCCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348128124 526745695 /nfs/dbraw/zinc/74/56/95/526745695.db2.gz ZAJNUHCYBADYOH-CVEARBPZSA-N 2 2 324.444 1.857 20 30 DDEDLP C=CCOCCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348128124 526745697 /nfs/dbraw/zinc/74/56/97/526745697.db2.gz ZAJNUHCYBADYOH-CVEARBPZSA-N 2 2 324.444 1.857 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000491406738 526983078 /nfs/dbraw/zinc/98/30/78/526983078.db2.gz OWGRZHIJVLSNKJ-UHFFFAOYSA-N 2 2 310.401 1.203 20 30 DDEDLP C#CCNC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491339209 526983888 /nfs/dbraw/zinc/98/38/88/526983888.db2.gz OJWXQHVXQXLMNR-UHFFFAOYSA-N 2 2 300.337 1.241 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000972006896 695137988 /nfs/dbraw/zinc/13/79/88/695137988.db2.gz VVPCWJSQPVWFPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006896 695137989 /nfs/dbraw/zinc/13/79/89/695137989.db2.gz VVPCWJSQPVWFPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006896 695137992 /nfs/dbraw/zinc/13/79/92/695137992.db2.gz VVPCWJSQPVWFPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006896 695137994 /nfs/dbraw/zinc/13/79/94/695137994.db2.gz VVPCWJSQPVWFPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972419143 695244561 /nfs/dbraw/zinc/24/45/61/695244561.db2.gz BDKBAVAZCYGFHH-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419143 695244563 /nfs/dbraw/zinc/24/45/63/695244563.db2.gz BDKBAVAZCYGFHH-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419143 695244564 /nfs/dbraw/zinc/24/45/64/695244564.db2.gz BDKBAVAZCYGFHH-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419143 695244566 /nfs/dbraw/zinc/24/45/66/695244566.db2.gz BDKBAVAZCYGFHH-SJLPKXTDSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638172 695701061 /nfs/dbraw/zinc/70/10/61/695701061.db2.gz DNPIXVBOYGARBF-AWEZNQCLSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638172 695701064 /nfs/dbraw/zinc/70/10/64/695701064.db2.gz DNPIXVBOYGARBF-AWEZNQCLSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974736823 695722095 /nfs/dbraw/zinc/72/20/95/695722095.db2.gz GNYSUFMBYQDBEL-CQSZACIVSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974736823 695722096 /nfs/dbraw/zinc/72/20/96/695722096.db2.gz GNYSUFMBYQDBEL-CQSZACIVSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751241 695726293 /nfs/dbraw/zinc/72/62/93/695726293.db2.gz KKIXYMUXKDVWTO-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751241 695726296 /nfs/dbraw/zinc/72/62/96/695726296.db2.gz KKIXYMUXKDVWTO-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978477546 696388989 /nfs/dbraw/zinc/38/89/89/696388989.db2.gz CKFUGRRNANFXOI-QKDCVEJESA-N 2 2 310.401 1.818 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978477546 696388990 /nfs/dbraw/zinc/38/89/90/696388990.db2.gz CKFUGRRNANFXOI-QKDCVEJESA-N 2 2 310.401 1.818 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981331992 697068037 /nfs/dbraw/zinc/06/80/37/697068037.db2.gz OZCGJYVLVCHRPK-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981331992 697068040 /nfs/dbraw/zinc/06/80/40/697068040.db2.gz OZCGJYVLVCHRPK-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981331992 697068043 /nfs/dbraw/zinc/06/80/43/697068043.db2.gz OZCGJYVLVCHRPK-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981331992 697068045 /nfs/dbraw/zinc/06/80/45/697068045.db2.gz OZCGJYVLVCHRPK-QGZVFWFLSA-N 2 2 303.450 1.561 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982680937 697168672 /nfs/dbraw/zinc/16/86/72/697168672.db2.gz WWKWRRKSKNXXND-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982680937 697168674 /nfs/dbraw/zinc/16/86/74/697168674.db2.gz WWKWRRKSKNXXND-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000987298256 698075355 /nfs/dbraw/zinc/07/53/55/698075355.db2.gz GDNDGYVMAINQGP-WMLDXEAASA-N 2 2 308.385 1.698 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987312944 698079944 /nfs/dbraw/zinc/07/99/44/698079944.db2.gz WOBDOVHQZHCDCW-DZGCQCFKSA-N 2 2 309.373 1.093 20 30 DDEDLP CCCCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303783835 698606821 /nfs/dbraw/zinc/60/68/21/698606821.db2.gz ONKVMGYQGYLWCJ-INIZCTEOSA-N 2 2 311.518 1.743 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000328083232 698745721 /nfs/dbraw/zinc/74/57/21/698745721.db2.gz HCYRVNYLRRYHQW-UHFFFAOYSA-N 2 2 304.390 1.511 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000328083232 698745722 /nfs/dbraw/zinc/74/57/22/698745722.db2.gz HCYRVNYLRRYHQW-UHFFFAOYSA-N 2 2 304.390 1.511 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)o3)C2)CC1 ZINC000814114820 702480807 /nfs/dbraw/zinc/48/08/07/702480807.db2.gz SQBLPXJEEVRSFI-GFCCVEGCSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)o3)C2)CC1 ZINC000814114820 702480810 /nfs/dbraw/zinc/48/08/10/702480810.db2.gz SQBLPXJEEVRSFI-GFCCVEGCSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccccc1C#N ZINC000855416575 704484434 /nfs/dbraw/zinc/48/44/34/704484434.db2.gz OOEMHTXYJMIZDC-KTKRTIGZSA-N 2 2 314.433 1.571 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccccc1C#N ZINC000855416575 704484435 /nfs/dbraw/zinc/48/44/35/704484435.db2.gz OOEMHTXYJMIZDC-KTKRTIGZSA-N 2 2 314.433 1.571 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000838623169 707955279 /nfs/dbraw/zinc/95/52/79/707955279.db2.gz SDMSRSQNZIKIBS-HNNXBMFYSA-N 2 2 303.410 1.185 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000838623169 707955281 /nfs/dbraw/zinc/95/52/81/707955281.db2.gz SDMSRSQNZIKIBS-HNNXBMFYSA-N 2 2 303.410 1.185 20 30 DDEDLP C#CCSCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000896005006 711663369 /nfs/dbraw/zinc/66/33/69/711663369.db2.gz VWUSHOHHOKRVPO-UHFFFAOYSA-N 2 2 309.479 1.028 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000930505239 713852356 /nfs/dbraw/zinc/85/23/56/713852356.db2.gz JHLZWUDPCIRQBV-UHFFFAOYSA-N 2 2 303.410 1.533 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000930505239 713852359 /nfs/dbraw/zinc/85/23/59/713852359.db2.gz JHLZWUDPCIRQBV-UHFFFAOYSA-N 2 2 303.410 1.533 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939533492 716309007 /nfs/dbraw/zinc/30/90/07/716309007.db2.gz AAJLGRMNMNMRHE-ZYHUDNBSSA-N 2 2 310.829 1.876 20 30 DDEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000959970686 716374346 /nfs/dbraw/zinc/37/43/46/716374346.db2.gz BZRDVBCBDNDEMW-KOZAUXTDSA-N 2 2 315.421 1.022 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000959970686 716374349 /nfs/dbraw/zinc/37/43/49/716374349.db2.gz BZRDVBCBDNDEMW-KOZAUXTDSA-N 2 2 315.421 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000959970686 716374352 /nfs/dbraw/zinc/37/43/52/716374352.db2.gz BZRDVBCBDNDEMW-KOZAUXTDSA-N 2 2 315.421 1.022 20 30 DDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000939855217 716461070 /nfs/dbraw/zinc/46/10/70/716461070.db2.gz BBAGHEORSMTWAP-RHSMWYFYSA-N 2 2 323.400 1.391 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373423 717764780 /nfs/dbraw/zinc/76/47/80/717764780.db2.gz HEDAGIAHTIWRNN-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373423 717764783 /nfs/dbraw/zinc/76/47/83/717764783.db2.gz HEDAGIAHTIWRNN-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571116 718837844 /nfs/dbraw/zinc/83/78/44/718837844.db2.gz SMIAOBAMGSYCEN-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571116 718837851 /nfs/dbraw/zinc/83/78/51/718837851.db2.gz SMIAOBAMGSYCEN-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947440834 719164262 /nfs/dbraw/zinc/16/42/62/719164262.db2.gz DQTBSDSLQNSKBC-GOEBONIOSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947440834 719164264 /nfs/dbraw/zinc/16/42/64/719164264.db2.gz DQTBSDSLQNSKBC-GOEBONIOSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452437 719506904 /nfs/dbraw/zinc/50/69/04/719506904.db2.gz NAHSPOMMSMIASL-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452437 719506905 /nfs/dbraw/zinc/50/69/05/719506905.db2.gz NAHSPOMMSMIASL-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948452437 719506908 /nfs/dbraw/zinc/50/69/08/719506908.db2.gz NAHSPOMMSMIASL-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948452437 719506912 /nfs/dbraw/zinc/50/69/12/719506912.db2.gz NAHSPOMMSMIASL-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000969692407 720252347 /nfs/dbraw/zinc/25/23/47/720252347.db2.gz JUXWBMYHSNXHQN-NVXWUHKLSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000969692407 720252349 /nfs/dbraw/zinc/25/23/49/720252349.db2.gz JUXWBMYHSNXHQN-NVXWUHKLSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969719242 720263372 /nfs/dbraw/zinc/26/33/72/720263372.db2.gz ZJTNNWHDFQMUMR-BLLLJJGKSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969719242 720263375 /nfs/dbraw/zinc/26/33/75/720263375.db2.gz ZJTNNWHDFQMUMR-BLLLJJGKSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969994365 720590834 /nfs/dbraw/zinc/59/08/34/720590834.db2.gz XTOKPZDVCGDBAK-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000950616933 720706312 /nfs/dbraw/zinc/70/63/12/720706312.db2.gz XEIDZAPCLAVLCQ-DOTOQJQBSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000950616933 720706314 /nfs/dbraw/zinc/70/63/14/720706314.db2.gz XEIDZAPCLAVLCQ-DOTOQJQBSA-N 2 2 303.450 1.559 20 30 DDEDLP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001167675051 735350379 /nfs/dbraw/zinc/35/03/79/735350379.db2.gz GIKCKHMISGBQCE-HEZMWZJDSA-N 2 2 309.377 1.212 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021599826 733357875 /nfs/dbraw/zinc/35/78/75/733357875.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021599826 733357877 /nfs/dbraw/zinc/35/78/77/733357877.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021599826 733357880 /nfs/dbraw/zinc/35/78/80/733357880.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021599826 733357882 /nfs/dbraw/zinc/35/78/82/733357882.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202832 733391870 /nfs/dbraw/zinc/39/18/70/733391870.db2.gz NSUICBXZKQYAII-CABCVRRESA-N 2 2 314.433 1.393 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638073 733391954 /nfs/dbraw/zinc/39/19/54/733391954.db2.gz HEGPVUGUQLEYGY-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638073 733391957 /nfs/dbraw/zinc/39/19/57/733391957.db2.gz HEGPVUGUQLEYGY-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700680 733464273 /nfs/dbraw/zinc/46/42/73/733464273.db2.gz RXUPICCXOYNMPZ-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700680 733464276 /nfs/dbraw/zinc/46/42/76/733464276.db2.gz RXUPICCXOYNMPZ-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897019 738784689 /nfs/dbraw/zinc/78/46/89/738784689.db2.gz DFNNEQACFHGLKX-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897019 738784690 /nfs/dbraw/zinc/78/46/90/738784690.db2.gz DFNNEQACFHGLKX-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897019 738784691 /nfs/dbraw/zinc/78/46/91/738784691.db2.gz DFNNEQACFHGLKX-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897019 738784692 /nfs/dbraw/zinc/78/46/92/738784692.db2.gz DFNNEQACFHGLKX-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250249 734984864 /nfs/dbraw/zinc/98/48/64/734984864.db2.gz YXGMKFOFXMIWEE-DOTOQJQBSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250249 734984867 /nfs/dbraw/zinc/98/48/67/734984867.db2.gz YXGMKFOFXMIWEE-DOTOQJQBSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250249 734984870 /nfs/dbraw/zinc/98/48/70/734984870.db2.gz YXGMKFOFXMIWEE-DOTOQJQBSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250249 734984873 /nfs/dbraw/zinc/98/48/73/734984873.db2.gz YXGMKFOFXMIWEE-DOTOQJQBSA-N 2 2 303.450 1.465 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516399 735894240 /nfs/dbraw/zinc/89/42/40/735894240.db2.gz JYNYCJQHPBTUEI-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516399 735894244 /nfs/dbraw/zinc/89/42/44/735894244.db2.gz JYNYCJQHPBTUEI-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087312212 736041953 /nfs/dbraw/zinc/04/19/53/736041953.db2.gz AWIGGGWZSYOTFU-OIISXLGYSA-N 2 2 314.433 1.201 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315837 736069062 /nfs/dbraw/zinc/06/90/62/736069062.db2.gz JDPLAAGPCJPYBB-COXVUDFISA-N 2 2 314.433 1.499 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315837 736069066 /nfs/dbraw/zinc/06/90/66/736069066.db2.gz JDPLAAGPCJPYBB-COXVUDFISA-N 2 2 314.433 1.499 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001026517333 737628144 /nfs/dbraw/zinc/62/81/44/737628144.db2.gz AYFDFVBJFBJPNC-WLYUNCDWSA-N 2 2 300.406 1.096 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038718641 738197402 /nfs/dbraw/zinc/19/74/02/738197402.db2.gz YNEIWGALFYLKEL-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038718641 738197403 /nfs/dbraw/zinc/19/74/03/738197403.db2.gz YNEIWGALFYLKEL-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644250 739843429 /nfs/dbraw/zinc/84/34/29/739843429.db2.gz XSRMXKSCFNBVEG-KGLIPLIRSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028644250 739843434 /nfs/dbraw/zinc/84/34/34/739843434.db2.gz XSRMXKSCFNBVEG-KGLIPLIRSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644250 739843439 /nfs/dbraw/zinc/84/34/39/739843439.db2.gz XSRMXKSCFNBVEG-KGLIPLIRSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028644250 739843442 /nfs/dbraw/zinc/84/34/42/739843442.db2.gz XSRMXKSCFNBVEG-KGLIPLIRSA-N 2 2 302.422 1.447 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028714355 739944971 /nfs/dbraw/zinc/94/49/71/739944971.db2.gz UFBZBNIKBOUROQ-IRXDYDNUSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028714355 739944976 /nfs/dbraw/zinc/94/49/76/739944976.db2.gz UFBZBNIKBOUROQ-IRXDYDNUSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028714355 739944979 /nfs/dbraw/zinc/94/49/79/739944979.db2.gz UFBZBNIKBOUROQ-IRXDYDNUSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028714355 739944982 /nfs/dbraw/zinc/94/49/82/739944982.db2.gz UFBZBNIKBOUROQ-IRXDYDNUSA-N 2 2 321.465 1.111 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C=C\Cl)[C@@H]1CC ZINC001087608152 740675473 /nfs/dbraw/zinc/67/54/73/740675473.db2.gz RQBTXLONIUTIPJ-ZMFSOPNWSA-N 2 2 323.868 1.806 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1CC ZINC001087608152 740675474 /nfs/dbraw/zinc/67/54/74/740675474.db2.gz RQBTXLONIUTIPJ-ZMFSOPNWSA-N 2 2 323.868 1.806 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\Cl)[C@@H]1CC ZINC001087608152 740675477 /nfs/dbraw/zinc/67/54/77/740675477.db2.gz RQBTXLONIUTIPJ-ZMFSOPNWSA-N 2 2 323.868 1.806 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\Cl)[C@@H]1CC ZINC001087608152 740675480 /nfs/dbraw/zinc/67/54/80/740675480.db2.gz RQBTXLONIUTIPJ-ZMFSOPNWSA-N 2 2 323.868 1.806 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631191 740684127 /nfs/dbraw/zinc/68/41/27/740684127.db2.gz PEUJIVYFEKDTOW-HYVNUMGLSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631191 740684130 /nfs/dbraw/zinc/68/41/30/740684130.db2.gz PEUJIVYFEKDTOW-HYVNUMGLSA-N 2 2 314.433 1.438 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087828036 740771012 /nfs/dbraw/zinc/77/10/12/740771012.db2.gz XFYUDVZGPKMYJP-UONOGXRCSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087828036 740771015 /nfs/dbraw/zinc/77/10/15/740771015.db2.gz XFYUDVZGPKMYJP-UONOGXRCSA-N 2 2 310.829 1.913 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088038840 740963653 /nfs/dbraw/zinc/96/36/53/740963653.db2.gz JHUCARDEKLWICP-CABCVRRESA-N 2 2 310.401 1.914 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001088038840 740963654 /nfs/dbraw/zinc/96/36/54/740963654.db2.gz JHUCARDEKLWICP-CABCVRRESA-N 2 2 310.401 1.914 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962473 742283826 /nfs/dbraw/zinc/28/38/26/742283826.db2.gz LZQOXRZNEWCBEV-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962473 742283827 /nfs/dbraw/zinc/28/38/27/742283827.db2.gz LZQOXRZNEWCBEV-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651064 744078349 /nfs/dbraw/zinc/07/83/49/744078349.db2.gz BZTGVNBYDVVJJK-ZIAGYGMSSA-N 2 2 310.401 1.884 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850854 744104542 /nfs/dbraw/zinc/10/45/42/744104542.db2.gz HSWALWAWNOIELR-CVEARBPZSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185204544 744179699 /nfs/dbraw/zinc/17/96/99/744179699.db2.gz JRTWNWQCHGTTTP-AAEUAGOBSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185749176 744280650 /nfs/dbraw/zinc/28/06/50/744280650.db2.gz DDRKYNYYLASZCQ-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992446428 744880394 /nfs/dbraw/zinc/88/03/94/744880394.db2.gz MVQHZMQNEGSMEH-DOTOQJQBSA-N 2 2 302.422 1.950 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992446428 744880398 /nfs/dbraw/zinc/88/03/98/744880398.db2.gz MVQHZMQNEGSMEH-DOTOQJQBSA-N 2 2 302.422 1.950 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343179 745616311 /nfs/dbraw/zinc/61/63/11/745616311.db2.gz SUHQMNKVEPHAJP-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292696 745746232 /nfs/dbraw/zinc/74/62/32/745746232.db2.gz BCBZDHTVPBZUGR-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292696 745746236 /nfs/dbraw/zinc/74/62/36/745746236.db2.gz BCBZDHTVPBZUGR-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655728 745877929 /nfs/dbraw/zinc/87/79/29/745877929.db2.gz AIYODQLFKUQGPI-MGPQQGTHSA-N 2 2 302.422 1.700 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433201 746106408 /nfs/dbraw/zinc/10/64/08/746106408.db2.gz QVRKXALXJSNTQT-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001193433201 746106410 /nfs/dbraw/zinc/10/64/10/746106410.db2.gz QVRKXALXJSNTQT-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802980 747882172 /nfs/dbraw/zinc/88/21/72/747882172.db2.gz JJFWFSUGOVKWJD-JJXSEGSLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802980 747882178 /nfs/dbraw/zinc/88/21/78/747882178.db2.gz JJFWFSUGOVKWJD-JJXSEGSLSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089804001 747888379 /nfs/dbraw/zinc/88/83/79/747888379.db2.gz QRWIGIKWHFPECF-FZKCQIBNSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089804001 747888390 /nfs/dbraw/zinc/88/83/90/747888390.db2.gz QRWIGIKWHFPECF-FZKCQIBNSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424724 748418582 /nfs/dbraw/zinc/41/85/82/748418582.db2.gz KVAYLRUVCTYITR-INIZCTEOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424724 748418584 /nfs/dbraw/zinc/41/85/84/748418584.db2.gz KVAYLRUVCTYITR-INIZCTEOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482509 748533667 /nfs/dbraw/zinc/53/36/67/748533667.db2.gz JDZIFDMDBONFQI-GOEBONIOSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007702818 752283736 /nfs/dbraw/zinc/28/37/36/752283736.db2.gz GECUAGFKIWZEMS-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007702818 752283743 /nfs/dbraw/zinc/28/37/43/752283743.db2.gz GECUAGFKIWZEMS-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704520 752285136 /nfs/dbraw/zinc/28/51/36/752285136.db2.gz KDAHTWATOBTGRL-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704520 752285140 /nfs/dbraw/zinc/28/51/40/752285140.db2.gz KDAHTWATOBTGRL-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032181066 748768818 /nfs/dbraw/zinc/76/88/18/748768818.db2.gz AMQOORQVHGXMOJ-ZDUSSCGKSA-N 2 2 318.446 1.119 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032181066 748768823 /nfs/dbraw/zinc/76/88/23/748768823.db2.gz AMQOORQVHGXMOJ-ZDUSSCGKSA-N 2 2 318.446 1.119 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032183079 748773855 /nfs/dbraw/zinc/77/38/55/748773855.db2.gz ZGXLYVORFOZVPM-QGZVFWFLSA-N 2 2 312.417 1.058 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032183079 748773861 /nfs/dbraw/zinc/77/38/61/748773861.db2.gz ZGXLYVORFOZVPM-QGZVFWFLSA-N 2 2 312.417 1.058 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207470 748922153 /nfs/dbraw/zinc/92/21/53/748922153.db2.gz OWIWGLYKAGLFJN-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033207470 748922157 /nfs/dbraw/zinc/92/21/57/748922157.db2.gz OWIWGLYKAGLFJN-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388703 761988965 /nfs/dbraw/zinc/98/89/65/761988965.db2.gz FKFSRLOGKLQAHE-QKPAOTATSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388703 761988967 /nfs/dbraw/zinc/98/89/67/761988967.db2.gz FKFSRLOGKLQAHE-QKPAOTATSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388703 761988972 /nfs/dbraw/zinc/98/89/72/761988972.db2.gz FKFSRLOGKLQAHE-QKPAOTATSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388703 761988974 /nfs/dbraw/zinc/98/89/74/761988974.db2.gz FKFSRLOGKLQAHE-QKPAOTATSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039395209 761994856 /nfs/dbraw/zinc/99/48/56/761994856.db2.gz ZSFOPBMOXQAAFQ-CABCVRRESA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039395209 761994858 /nfs/dbraw/zinc/99/48/58/761994858.db2.gz ZSFOPBMOXQAAFQ-CABCVRRESA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005396534 749987709 /nfs/dbraw/zinc/98/77/09/749987709.db2.gz NTXYYMYABRQTGQ-UHFFFAOYSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033881776 750048463 /nfs/dbraw/zinc/04/84/63/750048463.db2.gz VATVLQZKTMUICK-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033881776 750048468 /nfs/dbraw/zinc/04/84/68/750048468.db2.gz VATVLQZKTMUICK-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116100 750389957 /nfs/dbraw/zinc/38/99/57/750389957.db2.gz ZTJYYDPXANNBST-KRWDZBQOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116100 750389965 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DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049050991 770294045 /nfs/dbraw/zinc/29/40/45/770294045.db2.gz BNBGVKJPPVQHKE-QLFBSQMISA-N 2 2 312.417 1.243 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049050991 770294050 /nfs/dbraw/zinc/29/40/50/770294050.db2.gz BNBGVKJPPVQHKE-QLFBSQMISA-N 2 2 312.417 1.243 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051476 770296010 /nfs/dbraw/zinc/29/60/10/770296010.db2.gz PIACRDCGSLLSSE-MJBXVCDLSA-N 2 2 300.406 1.406 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051476 770296017 /nfs/dbraw/zinc/29/60/17/770296017.db2.gz PIACRDCGSLLSSE-MJBXVCDLSA-N 2 2 300.406 1.406 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134404069 770991234 /nfs/dbraw/zinc/99/12/34/770991234.db2.gz WXECTSYNOMBSLQ-UONOGXRCSA-N 2 2 302.422 1.268 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729855 771144034 /nfs/dbraw/zinc/14/40/34/771144034.db2.gz OUXZQJHEFYLVQO-KBPBESRZSA-N 2 2 304.438 1.823 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086737472 771538547 /nfs/dbraw/zinc/53/85/47/771538547.db2.gz KOJPASRSYPHVKW-SOUVJXGZSA-N 2 2 316.449 1.884 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086737472 771538552 /nfs/dbraw/zinc/53/85/52/771538552.db2.gz KOJPASRSYPHVKW-SOUVJXGZSA-N 2 2 316.449 1.884 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106018 772528484 /nfs/dbraw/zinc/52/84/84/772528484.db2.gz DIQQYBBZLARKTQ-ROKHWSDSSA-N 2 2 322.840 1.682 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897233 773870968 /nfs/dbraw/zinc/87/09/68/773870968.db2.gz DLHAPHLUZUPEEC-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897233 773870973 /nfs/dbraw/zinc/87/09/73/773870973.db2.gz DLHAPHLUZUPEEC-WBVHZDCISA-N 2 2 302.422 1.630 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001093598399 774903165 /nfs/dbraw/zinc/90/31/65/774903165.db2.gz LGQHOMBCQTYOTQ-UHFFFAOYSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036850872 774936608 /nfs/dbraw/zinc/93/66/08/774936608.db2.gz DIUXXRSXVIDBNY-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036850872 774936610 /nfs/dbraw/zinc/93/66/10/774936610.db2.gz DIUXXRSXVIDBNY-GJZGRUSLSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCCNc2cc[nH+]c(C)n2)CC1 ZINC001094462867 775868315 /nfs/dbraw/zinc/86/83/15/775868315.db2.gz HUAJVYRGIBUJAD-UHFFFAOYSA-N 2 2 315.421 1.048 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577351 776350613 /nfs/dbraw/zinc/35/06/13/776350613.db2.gz RCZNWYMJTQTZBH-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605100 776366880 /nfs/dbraw/zinc/36/68/80/776366880.db2.gz MVMIZRQWGYIVTB-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579669 777270490 /nfs/dbraw/zinc/27/04/90/777270490.db2.gz QURZHBAKFFALOD-UHFFFAOYSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360036 777761807 /nfs/dbraw/zinc/76/18/07/777761807.db2.gz WWWRWZKYQOHNHN-ARFHVFGLSA-N 2 2 316.449 1.812 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454791 778150265 /nfs/dbraw/zinc/15/02/65/778150265.db2.gz RVGDINBYDILSMD-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454791 778150271 /nfs/dbraw/zinc/15/02/71/778150271.db2.gz RVGDINBYDILSMD-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP 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ZINC001103574434 778951514 /nfs/dbraw/zinc/95/15/14/778951514.db2.gz PPZFLKLCXYOPJO-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179019620 779248550 /nfs/dbraw/zinc/24/85/50/779248550.db2.gz YHQALBREVCNQKZ-JYJNAYRXSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691775 779449745 /nfs/dbraw/zinc/44/97/45/779449745.db2.gz AJWGXQUNBIXLCS-YCPHGPKFSA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691775 779449749 /nfs/dbraw/zinc/44/97/49/779449749.db2.gz AJWGXQUNBIXLCS-YCPHGPKFSA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275495 779670391 /nfs/dbraw/zinc/67/03/91/779670391.db2.gz AMNBGJCSMHOBDM-KBPBESRZSA-N 2 2 310.829 1.995 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306793 837793520 /nfs/dbraw/zinc/79/35/20/837793520.db2.gz 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ZINC001267111092 837368813 /nfs/dbraw/zinc/36/88/13/837368813.db2.gz FVZVTSYQZFSAID-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267111092 837368819 /nfs/dbraw/zinc/36/88/19/837368819.db2.gz FVZVTSYQZFSAID-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267634426 838541974 /nfs/dbraw/zinc/54/19/74/838541974.db2.gz XLYCOYDOMSYXAD-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001267634426 838541981 /nfs/dbraw/zinc/54/19/81/838541981.db2.gz XLYCOYDOMSYXAD-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267652888 838583229 /nfs/dbraw/zinc/58/32/29/838583229.db2.gz GNRRWIWCIDDXFH-HNNXBMFYSA-N 2 2 310.401 1.670 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267652888 838583240 /nfs/dbraw/zinc/58/32/40/838583240.db2.gz GNRRWIWCIDDXFH-HNNXBMFYSA-N 2 2 310.401 1.670 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790083 838980530 /nfs/dbraw/zinc/98/05/30/838980530.db2.gz KABXMTCQUPQLHF-MRXNPFEDSA-N 2 2 302.422 1.528 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790083 838980532 /nfs/dbraw/zinc/98/05/32/838980532.db2.gz KABXMTCQUPQLHF-MRXNPFEDSA-N 2 2 302.422 1.528 20 30 DDEDLP C#CC[N@@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001268201587 839832590 /nfs/dbraw/zinc/83/25/90/839832590.db2.gz SQORETZCGHQHOQ-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CC[N@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001268201587 839832601 /nfs/dbraw/zinc/83/26/01/839832601.db2.gz SQORETZCGHQHOQ-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP CCC#CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268953030 841035579 /nfs/dbraw/zinc/03/55/79/841035579.db2.gz DSTAMAXOHZGUGI-MSOLQXFVSA-N 2 2 314.433 1.848 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288592 841474032 /nfs/dbraw/zinc/47/40/32/841474032.db2.gz XGXGNNVIBJNUDH-GJZGRUSLSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288592 841474034 /nfs/dbraw/zinc/47/40/34/841474034.db2.gz XGXGNNVIBJNUDH-GJZGRUSLSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001269425162 841635518 /nfs/dbraw/zinc/63/55/18/841635518.db2.gz NQDLANYLEVSLLH-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001269877624 842122911 /nfs/dbraw/zinc/12/29/11/842122911.db2.gz QNIRVKCQDLQWLP-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001326386825 861321357 /nfs/dbraw/zinc/32/13/57/861321357.db2.gz LBARMZNSDHKBIN-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001326386825 861321372 /nfs/dbraw/zinc/32/13/72/861321372.db2.gz LBARMZNSDHKBIN-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836987 861498957 /nfs/dbraw/zinc/49/89/57/861498957.db2.gz GPTSTMGWVIKMCL-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001154836987 861498965 /nfs/dbraw/zinc/49/89/65/861498965.db2.gz GPTSTMGWVIKMCL-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001154836987 861498974 /nfs/dbraw/zinc/49/89/74/861498974.db2.gz GPTSTMGWVIKMCL-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001154836987 861498984 /nfs/dbraw/zinc/49/89/84/861498984.db2.gz GPTSTMGWVIKMCL-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272660137 846503129 /nfs/dbraw/zinc/50/31/29/846503129.db2.gz KKMOTVOALYPATJ-CVEARBPZSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272660137 846503135 /nfs/dbraw/zinc/50/31/35/846503135.db2.gz KKMOTVOALYPATJ-CVEARBPZSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[NH+]1C[C@H](O)C[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272660137 846503138 /nfs/dbraw/zinc/50/31/38/846503138.db2.gz KKMOTVOALYPATJ-CVEARBPZSA-N 2 2 323.481 1.309 20 30 DDEDLP CCCCCCC[NH+]1C[C@H](O)C[C@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272660137 846503145 /nfs/dbraw/zinc/50/31/45/846503145.db2.gz KKMOTVOALYPATJ-CVEARBPZSA-N 2 2 323.481 1.309 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279678 848242415 /nfs/dbraw/zinc/24/24/15/848242415.db2.gz VRVXMGADUMLFTN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279678 848242420 /nfs/dbraw/zinc/24/24/20/848242420.db2.gz VRVXMGADUMLFTN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282642 848250619 /nfs/dbraw/zinc/25/06/19/848250619.db2.gz QCAWXVAVPLJPQP-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282642 848250628 /nfs/dbraw/zinc/25/06/28/848250628.db2.gz QCAWXVAVPLJPQP-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001273530419 851062713 /nfs/dbraw/zinc/06/27/13/851062713.db2.gz QWTJVUBFSNFPAO-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001273530419 851062725 /nfs/dbraw/zinc/06/27/25/851062725.db2.gz QWTJVUBFSNFPAO-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP C#CCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273542349 851079639 /nfs/dbraw/zinc/07/96/39/851079639.db2.gz SKROIEKOQVXZKP-QGZVFWFLSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273542349 851079652 /nfs/dbraw/zinc/07/96/52/851079652.db2.gz SKROIEKOQVXZKP-QGZVFWFLSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380567 862209338 /nfs/dbraw/zinc/20/93/38/862209338.db2.gz VMFSMEIBNIVWGS-LSDHHAIUSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380567 862209346 /nfs/dbraw/zinc/20/93/46/862209346.db2.gz VMFSMEIBNIVWGS-LSDHHAIUSA-N 2 2 306.410 1.227 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001275609201 853430490 /nfs/dbraw/zinc/43/04/90/853430490.db2.gz MMYLSQNLHGCFHC-QDIHITRGSA-N 2 2 314.433 1.896 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001275609201 853430495 /nfs/dbraw/zinc/43/04/95/853430495.db2.gz MMYLSQNLHGCFHC-QDIHITRGSA-N 2 2 314.433 1.896 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001151147193 862650456 /nfs/dbraw/zinc/65/04/56/862650456.db2.gz HTJZCIPHTMRVQB-UHFFFAOYSA-N 2 2 315.352 1.108 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049559098 856975446 /nfs/dbraw/zinc/97/54/46/856975446.db2.gz UQQCMDQBYZLQJB-USXIJHARSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049559098 856975450 /nfs/dbraw/zinc/97/54/50/856975450.db2.gz UQQCMDQBYZLQJB-USXIJHARSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560934 856977058 /nfs/dbraw/zinc/97/70/58/856977058.db2.gz CCKRUIHOJVRAEK-CVEARBPZSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560934 856977062 /nfs/dbraw/zinc/97/70/62/856977062.db2.gz CCKRUIHOJVRAEK-CVEARBPZSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617798 863195454 /nfs/dbraw/zinc/19/54/54/863195454.db2.gz TUTMSAXJJBZPEF-CYBMUJFWSA-N 2 2 308.426 1.290 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617798 863195463 /nfs/dbraw/zinc/19/54/63/863195463.db2.gz TUTMSAXJJBZPEF-CYBMUJFWSA-N 2 2 308.426 1.290 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152201761 863212511 /nfs/dbraw/zinc/21/25/11/863212511.db2.gz GHKKSTVGYYIZBF-UHFFFAOYSA-N 2 2 307.463 1.778 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152201761 863212524 /nfs/dbraw/zinc/21/25/24/863212524.db2.gz GHKKSTVGYYIZBF-UHFFFAOYSA-N 2 2 307.463 1.778 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153643 863617920 /nfs/dbraw/zinc/61/79/20/863617920.db2.gz NAFBVTVZRAXCAD-NVXWUHKLSA-N 2 2 316.449 1.534 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153643 863617925 /nfs/dbraw/zinc/61/79/25/863617925.db2.gz NAFBVTVZRAXCAD-NVXWUHKLSA-N 2 2 316.449 1.534 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001381433184 881757533 /nfs/dbraw/zinc/75/75/33/881757533.db2.gz HXAOWWOXDVPXSZ-UWVGGRQHSA-N 2 2 315.215 1.344 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCSC3)cn2)CC1 ZINC001330910197 864695079 /nfs/dbraw/zinc/69/50/79/864695079.db2.gz JOANUFZLTJKUBL-CQSZACIVSA-N 2 2 320.466 1.048 20 30 DDEDLP C#CC[N@H+](C[C@H]1CCCO1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001331817426 865357065 /nfs/dbraw/zinc/35/70/65/865357065.db2.gz IHDRCDYNDPSSNV-ZWKOTPCHSA-N 2 2 306.450 1.744 20 30 DDEDLP C#CC[N@@H+](C[C@H]1CCCO1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001331817426 865357080 /nfs/dbraw/zinc/35/70/80/865357080.db2.gz IHDRCDYNDPSSNV-ZWKOTPCHSA-N 2 2 306.450 1.744 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)CC1 ZINC001160436883 865837236 /nfs/dbraw/zinc/83/72/36/865837236.db2.gz OCQKYZHXZNWJSM-QGZVFWFLSA-N 2 2 324.428 1.435 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332822262 866167450 /nfs/dbraw/zinc/16/74/50/866167450.db2.gz CAWCRKOIKKWHJC-GOEBONIOSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001333088615 866412185 /nfs/dbraw/zinc/41/21/85/866412185.db2.gz JATAFXDUNALPOC-VQCLRJIVSA-N 2 2 300.406 1.048 20 30 DDEDLP C=CC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC001333179202 866491187 /nfs/dbraw/zinc/49/11/87/866491187.db2.gz ABVGXTDGHBVNLY-UHFFFAOYSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315613 866521192 /nfs/dbraw/zinc/52/11/92/866521192.db2.gz QQNJQGNZPAHRLM-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001323670500 866759482 /nfs/dbraw/zinc/75/94/82/866759482.db2.gz SGLRMYRHHPIIOK-MQVJKMGUSA-N 2 2 302.422 1.961 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001324188191 867132049 /nfs/dbraw/zinc/13/20/49/867132049.db2.gz ZDEJVFJNBVSMTF-DOTOQJQBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001324188193 867132641 /nfs/dbraw/zinc/13/26/41/867132641.db2.gz ZDEJVFJNBVSMTF-RDJZCZTQSA-N 2 2 316.449 1.992 20 30 DDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)c(C#N)cc1C#N ZINC001163126017 868129688 /nfs/dbraw/zinc/12/96/88/868129688.db2.gz MZDHDJHVXOMYIA-UHFFFAOYSA-N 2 2 319.800 1.756 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001325581109 868155173 /nfs/dbraw/zinc/15/51/73/868155173.db2.gz KVUOXCZKHBUFFF-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CCn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001335498270 868343476 /nfs/dbraw/zinc/34/34/76/868343476.db2.gz DCBWERYQLLKHRV-IBGZPJMESA-N 2 2 324.428 1.243 20 30 DDEDLP C#CCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001335498270 868343490 /nfs/dbraw/zinc/34/34/90/868343490.db2.gz DCBWERYQLLKHRV-IBGZPJMESA-N 2 2 324.428 1.243 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001317048301 870164369 /nfs/dbraw/zinc/16/43/69/870164369.db2.gz HZTXMWDWWJUHLK-BMFZPTHFSA-N 2 2 302.422 1.982 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001317048301 870164378 /nfs/dbraw/zinc/16/43/78/870164378.db2.gz HZTXMWDWWJUHLK-BMFZPTHFSA-N 2 2 302.422 1.982 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001317191960 870444980 /nfs/dbraw/zinc/44/49/80/870444980.db2.gz AXBIDKWJPHFABG-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001317720781 871441205 /nfs/dbraw/zinc/44/12/05/871441205.db2.gz MBVWUDJGMOWGBD-AEFFLSMTSA-N 2 2 322.412 1.526 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001341638888 871749622 /nfs/dbraw/zinc/74/96/22/871749622.db2.gz XUHPYCBGVZEAKW-CQSZACIVSA-N 2 2 301.394 1.506 20 30 DDEDLP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316905547 872301726 /nfs/dbraw/zinc/30/17/26/872301726.db2.gz YNMGWXZPDILGKR-UHFFFAOYSA-N 2 2 324.428 1.832 20 30 DDEDLP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316905547 872301751 /nfs/dbraw/zinc/30/17/51/872301751.db2.gz YNMGWXZPDILGKR-UHFFFAOYSA-N 2 2 324.428 1.832 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001318918752 872345696 /nfs/dbraw/zinc/34/56/96/872345696.db2.gz ZPYLTVKSKQKBIG-HZPDHXFCSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407632 874117516 /nfs/dbraw/zinc/11/75/16/874117516.db2.gz GEZGDQRCLNZFQC-OAHLLOKOSA-N 2 2 303.406 1.789 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411303 874120395 /nfs/dbraw/zinc/12/03/95/874120395.db2.gz QVIATFBHACCMCH-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451172 874155652 /nfs/dbraw/zinc/15/56/52/874155652.db2.gz SIDROZIQCBYIPT-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451172 874155655 /nfs/dbraw/zinc/15/56/55/874155655.db2.gz SIDROZIQCBYIPT-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP N#Cc1c2ccccc2sc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218649015 877636992 /nfs/dbraw/zinc/63/69/92/877636992.db2.gz PCSGZXMSILPFMV-UHFFFAOYSA-N 2 2 300.387 1.792 20 30 DDEDLP COc1ccc(C#N)cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218979633 877848865 /nfs/dbraw/zinc/84/88/65/877848865.db2.gz RVSSYXWZCIKUHK-CQSZACIVSA-N 2 2 310.357 1.778 20 30 DDEDLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380023430 878592303 /nfs/dbraw/zinc/59/23/03/878592303.db2.gz RXKMUUFQCMJMQE-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380023430 878592322 /nfs/dbraw/zinc/59/23/22/878592322.db2.gz RXKMUUFQCMJMQE-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380023430 878592330 /nfs/dbraw/zinc/59/23/30/878592330.db2.gz RXKMUUFQCMJMQE-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380023430 878592337 /nfs/dbraw/zinc/59/23/37/878592337.db2.gz RXKMUUFQCMJMQE-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277943041 888624185 /nfs/dbraw/zinc/62/41/85/888624185.db2.gz KYZLYRQTYOTAKO-QGZVFWFLSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277943041 888624191 /nfs/dbraw/zinc/62/41/91/888624191.db2.gz KYZLYRQTYOTAKO-QGZVFWFLSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277943041 888624195 /nfs/dbraw/zinc/62/41/95/888624195.db2.gz KYZLYRQTYOTAKO-QGZVFWFLSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC#N)C2)C1 ZINC001277943041 888624200 /nfs/dbraw/zinc/62/42/00/888624200.db2.gz KYZLYRQTYOTAKO-QGZVFWFLSA-N 2 2 306.454 1.556 20 30 DDEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146883 892440703 /nfs/dbraw/zinc/44/07/03/892440703.db2.gz OMWFCFKTSULCIH-CRAIPNDOSA-N 3 2 312.461 1.953 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246302450 892525203 /nfs/dbraw/zinc/52/52/03/892525203.db2.gz CRJODTAITJHLTI-YVSFHVDLSA-N 2 2 323.481 1.818 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246302450 892525225 /nfs/dbraw/zinc/52/52/25/892525225.db2.gz CRJODTAITJHLTI-YVSFHVDLSA-N 3 2 323.481 1.818 20 30 DDEDLP C=C[C@@](C)(O)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252547288 895258624 /nfs/dbraw/zinc/25/86/24/895258624.db2.gz FLKFALNNKKRRJJ-QGZVFWFLSA-N 2 2 306.454 1.821 20 30 DDEDLP C=C[C@@](C)(O)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001252547288 895258640 /nfs/dbraw/zinc/25/86/40/895258640.db2.gz FLKFALNNKKRRJJ-QGZVFWFLSA-N 2 2 306.454 1.821 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001263820528 900735219 /nfs/dbraw/zinc/73/52/19/900735219.db2.gz ALRJRTXZQJYKPA-SJORKVTESA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001263820528 900735225 /nfs/dbraw/zinc/73/52/25/900735225.db2.gz ALRJRTXZQJYKPA-SJORKVTESA-N 2 2 305.466 1.663 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265986233 902710379 /nfs/dbraw/zinc/71/03/79/902710379.db2.gz AREYBGWJQQFMKT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265986233 902710386 /nfs/dbraw/zinc/71/03/86/902710386.db2.gz AREYBGWJQQFMKT-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989417 902719005 /nfs/dbraw/zinc/71/90/05/902719005.db2.gz DXVSOCXMQVPIQF-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001266010342 902748484 /nfs/dbraw/zinc/74/84/84/902748484.db2.gz HIDDKWFXCWPBRK-ZBFHGGJFSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001266180292 903071518 /nfs/dbraw/zinc/07/15/18/903071518.db2.gz CRSCLAUCJIJTTG-HNNXBMFYSA-N 2 2 310.401 1.488 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001281063463 904369471 /nfs/dbraw/zinc/36/94/71/904369471.db2.gz PUGPZRXPKKGEJL-GOSISDBHSA-N 2 2 322.412 1.368 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001281063463 904369487 /nfs/dbraw/zinc/36/94/87/904369487.db2.gz PUGPZRXPKKGEJL-GOSISDBHSA-N 2 2 322.412 1.368 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001281950512 905349118 /nfs/dbraw/zinc/34/91/18/905349118.db2.gz ULCKMQNFUTYOKD-OAHLLOKOSA-N 2 2 310.401 1.894 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001281950512 905349143 /nfs/dbraw/zinc/34/91/43/905349143.db2.gz ULCKMQNFUTYOKD-OAHLLOKOSA-N 2 2 310.401 1.894 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001283011012 906461306 /nfs/dbraw/zinc/46/13/06/906461306.db2.gz KAIHIACBOJDVCL-HNNXBMFYSA-N 2 2 318.421 1.056 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001394299374 909297466 /nfs/dbraw/zinc/29/74/66/909297466.db2.gz HGJHCBOLRMZAMX-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001394299374 909297479 /nfs/dbraw/zinc/29/74/79/909297479.db2.gz HGJHCBOLRMZAMX-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001394299374 909297492 /nfs/dbraw/zinc/29/74/92/909297492.db2.gz HGJHCBOLRMZAMX-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001394299374 909297507 /nfs/dbraw/zinc/29/75/07/909297507.db2.gz HGJHCBOLRMZAMX-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103529 529922719 /nfs/dbraw/zinc/92/27/19/529922719.db2.gz TVOBSUYOTOROJP-IRXDYDNUSA-N 2 2 302.422 1.936 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103529 529922721 /nfs/dbraw/zinc/92/27/21/529922721.db2.gz TVOBSUYOTOROJP-IRXDYDNUSA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000339103529 529922722 /nfs/dbraw/zinc/92/27/22/529922722.db2.gz TVOBSUYOTOROJP-IRXDYDNUSA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000339103529 529922723 /nfs/dbraw/zinc/92/27/23/529922723.db2.gz TVOBSUYOTOROJP-IRXDYDNUSA-N 2 2 302.422 1.936 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615779430 362437091 /nfs/dbraw/zinc/43/70/91/362437091.db2.gz BCPVIHZOHBSWPB-KBPBESRZSA-N 2 2 301.394 1.471 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615779430 362437096 /nfs/dbraw/zinc/43/70/96/362437096.db2.gz BCPVIHZOHBSWPB-KBPBESRZSA-N 2 2 301.394 1.471 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000623836743 366080465 /nfs/dbraw/zinc/08/04/65/366080465.db2.gz HVHXXIZYQCXANZ-HNNXBMFYSA-N 2 2 306.406 1.286 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000623836743 366080473 /nfs/dbraw/zinc/08/04/73/366080473.db2.gz HVHXXIZYQCXANZ-HNNXBMFYSA-N 2 2 306.406 1.286 20 30 DDEDLP C[C@@H](CC#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000068615623 353122742 /nfs/dbraw/zinc/12/27/42/353122742.db2.gz AHUMPVBYUYZQCY-AWEZNQCLSA-N 2 2 301.394 1.012 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000578654654 354711380 /nfs/dbraw/zinc/71/13/80/354711380.db2.gz BGCYOPQTPFICOW-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)nn1 ZINC000593958944 356072803 /nfs/dbraw/zinc/07/28/03/356072803.db2.gz MZEIBHVFSYSLMX-QGZVFWFLSA-N 2 2 318.469 1.066 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594009395 356085829 /nfs/dbraw/zinc/08/58/29/356085829.db2.gz IUCWTXXLXZRGRU-HNNXBMFYSA-N 2 2 315.421 1.402 20 30 DDEDLP [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C1CC[NH+](C2CC2)CC1 ZINC000329739556 223022329 /nfs/dbraw/zinc/02/23/29/223022329.db2.gz UXRTYASMPBHUMJ-LBPRGKRZSA-N 2 2 303.410 1.397 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599679026 358021196 /nfs/dbraw/zinc/02/11/96/358021196.db2.gz VCYDFIKAOGTIQT-KRWDZBQOSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599679026 358021200 /nfs/dbraw/zinc/02/12/00/358021200.db2.gz VCYDFIKAOGTIQT-KRWDZBQOSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679026 358021202 /nfs/dbraw/zinc/02/12/02/358021202.db2.gz VCYDFIKAOGTIQT-KRWDZBQOSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679026 358021206 /nfs/dbraw/zinc/02/12/06/358021206.db2.gz VCYDFIKAOGTIQT-KRWDZBQOSA-N 2 2 317.433 1.050 20 30 DDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600720926 358295614 /nfs/dbraw/zinc/29/56/14/358295614.db2.gz JBBSXGYHPUVKMB-AWEZNQCLSA-N 2 2 309.454 1.520 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600749751 358306858 /nfs/dbraw/zinc/30/68/58/358306858.db2.gz RJIFDKWSGWOSLC-HZPDHXFCSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600749751 358306862 /nfs/dbraw/zinc/30/68/62/358306862.db2.gz RJIFDKWSGWOSLC-HZPDHXFCSA-N 2 2 317.433 1.760 20 30 DDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000602905802 359285557 /nfs/dbraw/zinc/28/55/57/359285557.db2.gz DDIOTYRZDSEKAK-KRWDZBQOSA-N 2 2 314.433 1.588 20 30 DDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000602905802 359285563 /nfs/dbraw/zinc/28/55/63/359285563.db2.gz DDIOTYRZDSEKAK-KRWDZBQOSA-N 2 2 314.433 1.588 20 30 DDEDLP [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329899336 223043929 /nfs/dbraw/zinc/04/39/29/223043929.db2.gz MZCVGSSJIOARPM-QWHCGFSZSA-N 2 2 314.393 1.161 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899336 223043934 /nfs/dbraw/zinc/04/39/34/223043934.db2.gz MZCVGSSJIOARPM-QWHCGFSZSA-N 2 2 314.393 1.161 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880134 304318982 /nfs/dbraw/zinc/31/89/82/304318982.db2.gz NDMFGZDNVUSOQW-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880134 304318983 /nfs/dbraw/zinc/31/89/83/304318983.db2.gz NDMFGZDNVUSOQW-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880134 304318985 /nfs/dbraw/zinc/31/89/85/304318985.db2.gz NDMFGZDNVUSOQW-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000568880134 304318988 /nfs/dbraw/zinc/31/89/88/304318988.db2.gz NDMFGZDNVUSOQW-KRWDZBQOSA-N 2 2 305.422 1.319 20 30 DDEDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000171689746 407742789 /nfs/dbraw/zinc/74/27/89/407742789.db2.gz XQHJRECVOJDGDO-QGZVFWFLSA-N 2 2 317.433 1.760 20 30 DDEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000118532590 407921558 /nfs/dbraw/zinc/92/15/58/407921558.db2.gz ITOSWLNIZSJFIH-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[S@@](=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181763733 408038965 /nfs/dbraw/zinc/03/89/65/408038965.db2.gz BXLXUCMLMZVNGZ-JOCHJYFZSA-N 2 2 319.474 1.881 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000190751716 408313698 /nfs/dbraw/zinc/31/36/98/408313698.db2.gz KOYYVSLLJCHKME-LJQANCHMSA-N 2 2 324.428 1.406 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000190751716 408313703 /nfs/dbraw/zinc/31/37/03/408313703.db2.gz KOYYVSLLJCHKME-LJQANCHMSA-N 2 2 324.428 1.406 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158794238 408362826 /nfs/dbraw/zinc/36/28/26/408362826.db2.gz ODYJKPZTWPUDNV-INMHGKMJSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158794238 408362829 /nfs/dbraw/zinc/36/28/29/408362829.db2.gz ODYJKPZTWPUDNV-INMHGKMJSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158794238 408362835 /nfs/dbraw/zinc/36/28/35/408362835.db2.gz ODYJKPZTWPUDNV-INMHGKMJSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158794238 408362840 /nfs/dbraw/zinc/36/28/40/408362840.db2.gz ODYJKPZTWPUDNV-INMHGKMJSA-N 2 2 306.454 1.457 20 30 DDEDLP C#CCSCCNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160062540 408451026 /nfs/dbraw/zinc/45/10/26/408451026.db2.gz QOTYEVJWHDWCPT-CABCVRRESA-N 2 2 319.478 1.708 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328773518 409975449 /nfs/dbraw/zinc/97/54/49/409975449.db2.gz HMBYVELRPRGTSC-ZIAGYGMSSA-N 2 2 308.426 1.478 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328773518 409975452 /nfs/dbraw/zinc/97/54/52/409975452.db2.gz HMBYVELRPRGTSC-ZIAGYGMSSA-N 2 2 308.426 1.478 20 30 DDEDLP CC[NH+](CC)CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000299146389 410544049 /nfs/dbraw/zinc/54/40/49/410544049.db2.gz WSAYKDPQXSTLBG-UHFFFAOYSA-N 2 2 301.438 1.807 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197128 410660688 /nfs/dbraw/zinc/66/06/88/410660688.db2.gz YELHVPNGVGAMBE-XIRDDKMYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197128 410660696 /nfs/dbraw/zinc/66/06/96/410660696.db2.gz YELHVPNGVGAMBE-XIRDDKMYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000337197128 410660699 /nfs/dbraw/zinc/66/06/99/410660699.db2.gz YELHVPNGVGAMBE-XIRDDKMYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000337197128 410660704 /nfs/dbraw/zinc/66/07/04/410660704.db2.gz YELHVPNGVGAMBE-XIRDDKMYSA-N 2 2 303.450 1.722 20 30 DDEDLP CC(C)C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)NCC[NH+](C)C ZINC000352795397 410676451 /nfs/dbraw/zinc/67/64/51/410676451.db2.gz JIJOXXOGIUGJPG-CYBMUJFWSA-N 2 2 323.466 1.197 20 30 DDEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000374676458 418555107 /nfs/dbraw/zinc/55/51/07/418555107.db2.gz GYUCUNYRNUAVCL-UHFFFAOYSA-N 2 2 300.468 1.584 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367142307 418564008 /nfs/dbraw/zinc/56/40/08/418564008.db2.gz USMYBIJGGUCNGP-DLBZAZTESA-N 2 2 320.481 1.945 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367142307 418564010 /nfs/dbraw/zinc/56/40/10/418564010.db2.gz USMYBIJGGUCNGP-DLBZAZTESA-N 2 2 320.481 1.945 20 30 DDEDLP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985815 222266054 /nfs/dbraw/zinc/26/60/54/222266054.db2.gz QACMHBDNWPSLPM-HOCLYGCPSA-N 3 2 318.469 1.436 20 30 DDEDLP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985815 222266057 /nfs/dbraw/zinc/26/60/57/222266057.db2.gz QACMHBDNWPSLPM-HOCLYGCPSA-N 3 2 318.469 1.436 20 30 DDEDLP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261944842 222261938 /nfs/dbraw/zinc/26/19/38/222261938.db2.gz FMDGRJZXKDUEKR-SOUVJXGZSA-N 3 2 306.458 1.292 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCCS1 ZINC000262005993 222269492 /nfs/dbraw/zinc/26/94/92/222269492.db2.gz VPWIPJOSSOPMFV-AWEZNQCLSA-N 2 2 317.462 1.937 20 30 DDEDLP C[NH+]=C(NCc1ccc(C)s1)NCc1c[nH+]c(N(C)C)n1C ZINC000262754686 222291436 /nfs/dbraw/zinc/29/14/36/222291436.db2.gz CYDZEGIMHGRMOJ-UHFFFAOYSA-N 2 2 320.466 1.721 20 30 DDEDLP C[NH+]1CCC(CNc2ccncc2C#N)([NH+]2CCCCC2)CC1 ZINC000376311008 418695479 /nfs/dbraw/zinc/69/54/79/418695479.db2.gz LFROQNIMDLCQGH-UHFFFAOYSA-N 2 2 313.449 1.737 20 30 DDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000568857807 421623310 /nfs/dbraw/zinc/62/33/10/421623310.db2.gz QIDMISHQNMIDQX-OAHLLOKOSA-N 2 2 312.421 1.367 20 30 DDEDLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000566116235 421602913 /nfs/dbraw/zinc/60/29/13/421602913.db2.gz JOBYTBCPEOKOOV-IRXDYDNUSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000566116235 421602916 /nfs/dbraw/zinc/60/29/16/421602916.db2.gz JOBYTBCPEOKOOV-IRXDYDNUSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000566116235 421602918 /nfs/dbraw/zinc/60/29/18/421602918.db2.gz JOBYTBCPEOKOOV-IRXDYDNUSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000566116235 421602921 /nfs/dbraw/zinc/60/29/21/421602921.db2.gz JOBYTBCPEOKOOV-IRXDYDNUSA-N 2 2 324.513 1.683 20 30 DDEDLP C=CCCn1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000653593379 423541759 /nfs/dbraw/zinc/54/17/59/423541759.db2.gz ZVRYUFHVFKKZPM-UHFFFAOYSA-N 2 2 320.485 1.312 20 30 DDEDLP C=CCCn1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000653593379 423541766 /nfs/dbraw/zinc/54/17/66/423541766.db2.gz ZVRYUFHVFKKZPM-UHFFFAOYSA-N 2 2 320.485 1.312 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001120588903 782041721 /nfs/dbraw/zinc/04/17/21/782041721.db2.gz HYZDLCAPQWWNGZ-RTBURBONSA-N 2 2 316.445 1.548 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000329245923 277139061 /nfs/dbraw/zinc/13/90/61/277139061.db2.gz ALNVTOWHBFKRSM-HIFRSBDPSA-N 2 2 317.437 1.659 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000329245923 277139063 /nfs/dbraw/zinc/13/90/63/277139063.db2.gz ALNVTOWHBFKRSM-HIFRSBDPSA-N 2 2 317.437 1.659 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000113516446 289213501 /nfs/dbraw/zinc/21/35/01/289213501.db2.gz UMOVJYAYFWHTJS-MRXNPFEDSA-N 2 2 314.433 1.817 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000113516446 289213502 /nfs/dbraw/zinc/21/35/02/289213502.db2.gz UMOVJYAYFWHTJS-MRXNPFEDSA-N 2 2 314.433 1.817 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000262474606 289394499 /nfs/dbraw/zinc/39/44/99/289394499.db2.gz PUQGIAXFJWGKSH-OLZOCXBDSA-N 2 2 322.478 1.530 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000262474606 289394501 /nfs/dbraw/zinc/39/45/01/289394501.db2.gz PUQGIAXFJWGKSH-OLZOCXBDSA-N 2 2 322.478 1.530 20 30 DDEDLP C=C(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656251549 484046953 /nfs/dbraw/zinc/04/69/53/484046953.db2.gz QKZOGOOFSLRCST-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(CC)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656251549 484046960 /nfs/dbraw/zinc/04/69/60/484046960.db2.gz QKZOGOOFSLRCST-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000330017268 534718022 /nfs/dbraw/zinc/71/80/22/534718022.db2.gz QVJGZGVBNWVEPB-UHFFFAOYSA-N 2 2 313.365 1.759 20 30 DDEDLP C=CCOCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000348050515 526745826 /nfs/dbraw/zinc/74/58/26/526745826.db2.gz KGMZSRHOFBDARW-UHFFFAOYSA-N 2 2 306.454 1.872 20 30 DDEDLP C=CCOCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000348050515 526745831 /nfs/dbraw/zinc/74/58/31/526745831.db2.gz KGMZSRHOFBDARW-UHFFFAOYSA-N 2 2 306.454 1.872 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC000490925391 526950114 /nfs/dbraw/zinc/95/01/14/526950114.db2.gz VOWJZWZYBAFARY-UHFFFAOYSA-N 2 2 317.408 1.428 20 30 DDEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000972007205 695138047 /nfs/dbraw/zinc/13/80/47/695138047.db2.gz XDKRDNPFJAEHQF-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000972007205 695138048 /nfs/dbraw/zinc/13/80/48/695138048.db2.gz XDKRDNPFJAEHQF-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972007205 695138050 /nfs/dbraw/zinc/13/80/50/695138050.db2.gz XDKRDNPFJAEHQF-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972007205 695138052 /nfs/dbraw/zinc/13/80/52/695138052.db2.gz XDKRDNPFJAEHQF-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972495208 695265491 /nfs/dbraw/zinc/26/54/91/695265491.db2.gz YSMUBSLJGOLENL-GOSISDBHSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972495208 695265493 /nfs/dbraw/zinc/26/54/93/695265493.db2.gz YSMUBSLJGOLENL-GOSISDBHSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714833 695320929 /nfs/dbraw/zinc/32/09/29/695320929.db2.gz XANAFBLVHLLTHF-OAHLLOKOSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714833 695320933 /nfs/dbraw/zinc/32/09/33/695320933.db2.gz XANAFBLVHLLTHF-OAHLLOKOSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982130709 697037367 /nfs/dbraw/zinc/03/73/67/697037367.db2.gz AMQLAPQMMXONFF-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982130709 697037368 /nfs/dbraw/zinc/03/73/68/697037368.db2.gz AMQLAPQMMXONFF-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135327 697039184 /nfs/dbraw/zinc/03/91/84/697039184.db2.gz CRMQCBVPLRIDQO-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135327 697039187 /nfs/dbraw/zinc/03/91/87/697039187.db2.gz CRMQCBVPLRIDQO-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171686 697048065 /nfs/dbraw/zinc/04/80/65/697048065.db2.gz OGIVFQKNYLYSKQ-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171686 697048067 /nfs/dbraw/zinc/04/80/67/697048067.db2.gz OGIVFQKNYLYSKQ-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852329 697185389 /nfs/dbraw/zinc/18/53/89/697185389.db2.gz WMTDKSMVJDJZRD-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852329 697185390 /nfs/dbraw/zinc/18/53/90/697185390.db2.gz WMTDKSMVJDJZRD-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515608 697523791 /nfs/dbraw/zinc/52/37/91/697523791.db2.gz LXRXNPMBUHGROH-CQSZACIVSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515608 697523792 /nfs/dbraw/zinc/52/37/92/697523792.db2.gz LXRXNPMBUHGROH-CQSZACIVSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515608 697523793 /nfs/dbraw/zinc/52/37/93/697523793.db2.gz LXRXNPMBUHGROH-CQSZACIVSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515608 697523794 /nfs/dbraw/zinc/52/37/94/697523794.db2.gz LXRXNPMBUHGROH-CQSZACIVSA-N 2 2 314.433 1.379 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000985736877 697565173 /nfs/dbraw/zinc/56/51/73/697565173.db2.gz UQLXXHOVILVMFW-UHFFFAOYSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000985736877 697565174 /nfs/dbraw/zinc/56/51/74/697565174.db2.gz UQLXXHOVILVMFW-UHFFFAOYSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC000987187687 698026147 /nfs/dbraw/zinc/02/61/47/698026147.db2.gz XSFYLQJKCWBWGH-GOEBONIOSA-N 2 2 312.417 1.950 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304264765 698616869 /nfs/dbraw/zinc/61/68/69/698616869.db2.gz CSULEYIBZXXGIA-HNNXBMFYSA-N 3 2 309.502 1.640 20 30 DDEDLP N#Cc1ccc(OCCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000788004269 699266048 /nfs/dbraw/zinc/26/60/48/699266048.db2.gz ORUJBWYQGSOATM-UHFFFAOYSA-N 2 2 311.389 1.872 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991449875 699328348 /nfs/dbraw/zinc/32/83/48/699328348.db2.gz WGNZMRNJDXWKFV-RLFYNMQTSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@H]12 ZINC000991449875 699328351 /nfs/dbraw/zinc/32/83/51/699328351.db2.gz WGNZMRNJDXWKFV-RLFYNMQTSA-N 2 2 312.417 1.192 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552257 700320107 /nfs/dbraw/zinc/32/01/07/700320107.db2.gz FODJGRHDBKDXMH-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552257 700320111 /nfs/dbraw/zinc/32/01/11/700320111.db2.gz FODJGRHDBKDXMH-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763241524 700930854 /nfs/dbraw/zinc/93/08/54/700930854.db2.gz PJUOZHYYVYVSCW-MSOLQXFVSA-N 2 2 317.433 1.538 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763241524 700930855 /nfs/dbraw/zinc/93/08/55/700930855.db2.gz PJUOZHYYVYVSCW-MSOLQXFVSA-N 2 2 317.433 1.538 20 30 DDEDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232004 706655768 /nfs/dbraw/zinc/65/57/68/706655768.db2.gz DUVSJEJRIZCUPK-CABCVRRESA-N 2 2 316.449 1.940 20 30 DDEDLP C#C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000817275918 702322942 /nfs/dbraw/zinc/32/29/42/702322942.db2.gz NOWBGSXBPGJNDN-RBUKOAKNSA-N 2 2 314.429 1.789 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000846946722 703355729 /nfs/dbraw/zinc/35/57/29/703355729.db2.gz VKKYRNUTVZPGED-QGZVFWFLSA-N 2 2 317.433 1.417 20 30 DDEDLP CC(C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876718898 705837002 /nfs/dbraw/zinc/83/70/02/705837002.db2.gz XZHIYJOESZJAJM-QGZVFWFLSA-N 2 2 312.417 1.298 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000876736257 705848700 /nfs/dbraw/zinc/84/87/00/705848700.db2.gz KLZFYGHIJWFFBG-GFCCVEGCSA-N 2 2 313.854 1.692 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000876736257 705848704 /nfs/dbraw/zinc/84/87/04/705848704.db2.gz KLZFYGHIJWFFBG-GFCCVEGCSA-N 2 2 313.854 1.692 20 30 DDEDLP C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303608 706399267 /nfs/dbraw/zinc/39/92/67/706399267.db2.gz JZUBNIKQLJIOAL-GJZGRUSLSA-N 2 2 320.437 1.042 20 30 DDEDLP C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303608 706399270 /nfs/dbraw/zinc/39/92/70/706399270.db2.gz JZUBNIKQLJIOAL-GJZGRUSLSA-N 2 2 320.437 1.042 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000884331475 708248873 /nfs/dbraw/zinc/24/88/73/708248873.db2.gz OPRYIYSKXUUREN-CQSZACIVSA-N 2 2 315.421 1.116 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000884331475 708248877 /nfs/dbraw/zinc/24/88/77/708248877.db2.gz OPRYIYSKXUUREN-CQSZACIVSA-N 2 2 315.421 1.116 20 30 DDEDLP C#CCSCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000897998510 708514790 /nfs/dbraw/zinc/51/47/90/708514790.db2.gz UEYSGBFHAMZNTR-UHFFFAOYSA-N 2 2 323.506 1.371 20 30 DDEDLP C#CCSCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000897998510 708514793 /nfs/dbraw/zinc/51/47/93/708514793.db2.gz UEYSGBFHAMZNTR-UHFFFAOYSA-N 2 2 323.506 1.371 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000890371905 709844800 /nfs/dbraw/zinc/84/48/00/709844800.db2.gz DHYHACYVGBLDLR-JKSUJKDBSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000890371905 709844804 /nfs/dbraw/zinc/84/48/04/709844804.db2.gz DHYHACYVGBLDLR-JKSUJKDBSA-N 2 2 315.421 1.327 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)OC)CC1 ZINC000921703120 713848709 /nfs/dbraw/zinc/84/87/09/713848709.db2.gz RTBBCFZRCDDNPP-UHFFFAOYSA-N 2 2 318.417 1.978 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000923399483 714341851 /nfs/dbraw/zinc/34/18/51/714341851.db2.gz QHDHDBAHBPRXMB-GDBMZVCRSA-N 2 2 301.390 1.172 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000923399913 714342542 /nfs/dbraw/zinc/34/25/42/714342542.db2.gz UPDBOXYKURYEPU-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000923399913 714342547 /nfs/dbraw/zinc/34/25/47/714342547.db2.gz UPDBOXYKURYEPU-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926413160 715062381 /nfs/dbraw/zinc/06/23/81/715062381.db2.gz YQLMHPHLILGNPK-WZYMTQMTSA-N 2 2 320.481 1.988 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926413160 715062384 /nfs/dbraw/zinc/06/23/84/715062384.db2.gz YQLMHPHLILGNPK-WZYMTQMTSA-N 2 2 320.481 1.988 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940822298 716975312 /nfs/dbraw/zinc/97/53/12/716975312.db2.gz ZXBIZZNAVGEJAD-IIAWOOMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940822298 716975317 /nfs/dbraw/zinc/97/53/17/716975317.db2.gz ZXBIZZNAVGEJAD-IIAWOOMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940822298 716975318 /nfs/dbraw/zinc/97/53/18/716975318.db2.gz ZXBIZZNAVGEJAD-IIAWOOMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940822298 716975323 /nfs/dbraw/zinc/97/53/23/716975323.db2.gz ZXBIZZNAVGEJAD-IIAWOOMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853302 716994277 /nfs/dbraw/zinc/99/42/77/716994277.db2.gz PVZGDWDBNUBRCR-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853302 716994279 /nfs/dbraw/zinc/99/42/79/716994279.db2.gz PVZGDWDBNUBRCR-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000965159953 717558517 /nfs/dbraw/zinc/55/85/17/717558517.db2.gz JBLZUKPRHWBTFL-BSGOTLCWSA-N 2 2 312.417 1.174 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000963580296 717836221 /nfs/dbraw/zinc/83/62/21/717836221.db2.gz ADSAXSTXFUFYJQ-QQFBHYJXSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908097 718707121 /nfs/dbraw/zinc/70/71/21/718707121.db2.gz KJWVPZFBVYXZAY-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908097 718707125 /nfs/dbraw/zinc/70/71/25/718707125.db2.gz KJWVPZFBVYXZAY-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473390 719517914 /nfs/dbraw/zinc/51/79/14/719517914.db2.gz FKOFALVATBIBFI-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473390 719517917 /nfs/dbraw/zinc/51/79/17/719517917.db2.gz FKOFALVATBIBFI-MRXNPFEDSA-N 2 2 316.449 1.873 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969995253 720590430 /nfs/dbraw/zinc/59/04/30/720590430.db2.gz CPORCPZRMZTXQP-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000970104045 720627577 /nfs/dbraw/zinc/62/75/77/720627577.db2.gz YWYHJSBMTOLWQW-OAHLLOKOSA-N 2 2 309.373 1.215 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250500 733372456 /nfs/dbraw/zinc/37/24/56/733372456.db2.gz OIHCHLOUONAEOX-DOTOQJQBSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700536 733464259 /nfs/dbraw/zinc/46/42/59/733464259.db2.gz QYHQHJSSCPPBMK-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700536 733464263 /nfs/dbraw/zinc/46/42/63/733464263.db2.gz QYHQHJSSCPPBMK-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001022119675 734398248 /nfs/dbraw/zinc/39/82/48/734398248.db2.gz GRRVAVQUKOIAHZ-BETUJISGSA-N 2 2 322.840 1.751 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039471056 734565976 /nfs/dbraw/zinc/56/59/76/734565976.db2.gz FKRYHEJQFOVZBT-CABCVRRESA-N 2 2 311.857 1.900 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039471056 734565979 /nfs/dbraw/zinc/56/59/79/734565979.db2.gz FKRYHEJQFOVZBT-CABCVRRESA-N 2 2 311.857 1.900 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022734407 734744204 /nfs/dbraw/zinc/74/42/04/734744204.db2.gz VQBKGDRRVGDIRW-YVECIDJPSA-N 2 2 308.813 1.513 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447742 735244221 /nfs/dbraw/zinc/24/42/21/735244221.db2.gz VHJKMMQDFHALGL-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479712 735860884 /nfs/dbraw/zinc/86/08/84/735860884.db2.gz NYTFQOWGBHEHLY-HOTGVXAUSA-N 2 2 314.433 1.755 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479712 735860889 /nfs/dbraw/zinc/86/08/89/735860889.db2.gz NYTFQOWGBHEHLY-HOTGVXAUSA-N 2 2 314.433 1.755 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479865 735862466 /nfs/dbraw/zinc/86/24/66/735862466.db2.gz RXIMVSAWCDNXCY-CABCVRRESA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479865 735862468 /nfs/dbraw/zinc/86/24/68/735862468.db2.gz RXIMVSAWCDNXCY-CABCVRRESA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353855 737126228 /nfs/dbraw/zinc/12/62/28/737126228.db2.gz PSQBHGSBKUTMGD-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353855 737126230 /nfs/dbraw/zinc/12/62/30/737126230.db2.gz PSQBHGSBKUTMGD-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353855 737126231 /nfs/dbraw/zinc/12/62/31/737126231.db2.gz PSQBHGSBKUTMGD-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353855 737126232 /nfs/dbraw/zinc/12/62/32/737126232.db2.gz PSQBHGSBKUTMGD-SJORKVTESA-N 2 2 303.450 1.607 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059298 740975586 /nfs/dbraw/zinc/97/55/86/740975586.db2.gz SQWWBOVYFLNGOQ-CVEARBPZSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059298 740975590 /nfs/dbraw/zinc/97/55/90/740975590.db2.gz SQWWBOVYFLNGOQ-CVEARBPZSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001026312300 737333258 /nfs/dbraw/zinc/33/32/58/737333258.db2.gz UPKSOPADTOOWQX-SOUVJXGZSA-N 2 2 310.401 1.961 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027979645 738901184 /nfs/dbraw/zinc/90/11/84/738901184.db2.gz GGMOUVOXVKLBQZ-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027979645 738901185 /nfs/dbraw/zinc/90/11/85/738901185.db2.gz GGMOUVOXVKLBQZ-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027979645 738901187 /nfs/dbraw/zinc/90/11/87/738901187.db2.gz GGMOUVOXVKLBQZ-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027979645 738901189 /nfs/dbraw/zinc/90/11/89/738901189.db2.gz GGMOUVOXVKLBQZ-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027979856 738901410 /nfs/dbraw/zinc/90/14/10/738901410.db2.gz ISTUPMVUBMLTFE-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027979856 738901412 /nfs/dbraw/zinc/90/14/12/738901412.db2.gz ISTUPMVUBMLTFE-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629316 740688199 /nfs/dbraw/zinc/68/81/99/740688199.db2.gz LMQLXIPJBKWKCA-HRCADAONSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629316 740688202 /nfs/dbraw/zinc/68/82/02/740688202.db2.gz LMQLXIPJBKWKCA-HRCADAONSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989294 740931872 /nfs/dbraw/zinc/93/18/72/740931872.db2.gz YEIRFCNKXDUHLS-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087989294 740931875 /nfs/dbraw/zinc/93/18/75/740931875.db2.gz YEIRFCNKXDUHLS-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989294 740931877 /nfs/dbraw/zinc/93/18/77/740931877.db2.gz YEIRFCNKXDUHLS-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989294 740931882 /nfs/dbraw/zinc/93/18/82/740931882.db2.gz YEIRFCNKXDUHLS-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001088334780 741406101 /nfs/dbraw/zinc/40/61/01/741406101.db2.gz PADWISPAODRMBP-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035584454 751677552 /nfs/dbraw/zinc/67/75/52/751677552.db2.gz VKSKACQWWRFUJN-CQSZACIVSA-N 2 2 318.421 1.154 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035584454 751677555 /nfs/dbraw/zinc/67/75/55/751677555.db2.gz VKSKACQWWRFUJN-CQSZACIVSA-N 2 2 318.421 1.154 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678180 742070481 /nfs/dbraw/zinc/07/04/81/742070481.db2.gz JKAJVTIXBNLYHK-ILXRZTDVSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952344 743408396 /nfs/dbraw/zinc/40/83/96/743408396.db2.gz VBBGSGYSYHIUGZ-RVKKMQEKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001035734813 751828591 /nfs/dbraw/zinc/82/85/91/751828591.db2.gz KNHKSKGIEZVXRJ-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108053741 743612869 /nfs/dbraw/zinc/61/28/69/743612869.db2.gz VNADVEJTNFCRKL-QGZVFWFLSA-N 2 2 314.389 1.341 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001108053741 743612875 /nfs/dbraw/zinc/61/28/75/743612875.db2.gz VNADVEJTNFCRKL-QGZVFWFLSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271726 743814046 /nfs/dbraw/zinc/81/40/46/743814046.db2.gz PAKKEMPXJCTFQW-CXAGYDPISA-N 2 2 304.438 1.911 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001030464093 744178195 /nfs/dbraw/zinc/17/81/95/744178195.db2.gz GTLUEYRPJRAESO-HTWSVDAQSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001030464093 744178197 /nfs/dbraw/zinc/17/81/97/744178197.db2.gz GTLUEYRPJRAESO-HTWSVDAQSA-N 2 2 317.477 1.711 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844850 751940913 /nfs/dbraw/zinc/94/09/13/751940913.db2.gz RAVILWAEXDSKNA-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992217134 744700119 /nfs/dbraw/zinc/70/01/19/744700119.db2.gz JAJMBTBFGYVDLS-AHEZYBDSSA-N 2 2 314.433 1.823 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992217134 744700121 /nfs/dbraw/zinc/70/01/21/744700121.db2.gz JAJMBTBFGYVDLS-AHEZYBDSSA-N 2 2 314.433 1.823 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992401687 744856565 /nfs/dbraw/zinc/85/65/65/744856565.db2.gz XNJGNLQFRBOFLG-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992401687 744856566 /nfs/dbraw/zinc/85/65/66/744856566.db2.gz XNJGNLQFRBOFLG-DOTOQJQBSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992451325 744883414 /nfs/dbraw/zinc/88/34/14/744883414.db2.gz XRGKKVCUUYTREU-NVXWUHKLSA-N 2 2 300.406 1.397 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992451325 744883417 /nfs/dbraw/zinc/88/34/17/744883417.db2.gz XRGKKVCUUYTREU-NVXWUHKLSA-N 2 2 300.406 1.397 20 30 DDEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191533990 745536328 /nfs/dbraw/zinc/53/63/28/745536328.db2.gz XMMDZLHXKUVXBJ-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191533990 745536332 /nfs/dbraw/zinc/53/63/32/745536332.db2.gz XMMDZLHXKUVXBJ-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191533990 745536336 /nfs/dbraw/zinc/53/63/36/745536336.db2.gz XMMDZLHXKUVXBJ-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191533990 745536339 /nfs/dbraw/zinc/53/63/39/745536339.db2.gz XMMDZLHXKUVXBJ-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550249 745812400 /nfs/dbraw/zinc/81/24/00/745812400.db2.gz FXAILBHCRRCMKL-GOSISDBHSA-N 2 2 322.412 1.537 20 30 DDEDLP C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550249 745812403 /nfs/dbraw/zinc/81/24/03/745812403.db2.gz FXAILBHCRRCMKL-GOSISDBHSA-N 2 2 322.412 1.537 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238851 745983521 /nfs/dbraw/zinc/98/35/21/745983521.db2.gz FAKRVQKCHLPHJJ-LSDHHAIUSA-N 2 2 300.406 1.314 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993514829 746209616 /nfs/dbraw/zinc/20/96/16/746209616.db2.gz IOVGNBXDSPMBIP-UKRRQHHQSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993514829 746209619 /nfs/dbraw/zinc/20/96/19/746209619.db2.gz IOVGNBXDSPMBIP-UKRRQHHQSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364542 747465609 /nfs/dbraw/zinc/46/56/09/747465609.db2.gz ZKCLTRYZGIXIGG-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364542 747465613 /nfs/dbraw/zinc/46/56/13/747465613.db2.gz ZKCLTRYZGIXIGG-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364542 747465618 /nfs/dbraw/zinc/46/56/18/747465618.db2.gz ZKCLTRYZGIXIGG-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364542 747465621 /nfs/dbraw/zinc/46/56/21/747465621.db2.gz ZKCLTRYZGIXIGG-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119460 747719269 /nfs/dbraw/zinc/71/92/69/747719269.db2.gz GFUNMYQRZHYACK-BRWVUGGUSA-N 2 2 317.433 1.027 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119460 747719273 /nfs/dbraw/zinc/71/92/73/747719273.db2.gz GFUNMYQRZHYACK-BRWVUGGUSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301471 747815006 /nfs/dbraw/zinc/81/50/06/747815006.db2.gz VJYCBBPHHAJTFL-RRFJBIMHSA-N 2 2 320.437 1.398 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301471 747815014 /nfs/dbraw/zinc/81/50/14/747815014.db2.gz VJYCBBPHHAJTFL-RRFJBIMHSA-N 2 2 320.437 1.398 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321155 748477881 /nfs/dbraw/zinc/47/78/81/748477881.db2.gz FXKNYQMFYHPGFF-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP CCOC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1C#N ZINC001168741286 748745802 /nfs/dbraw/zinc/74/58/02/748745802.db2.gz VZEGSCVEVIHNAY-UHFFFAOYSA-N 2 2 315.377 1.329 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033211299 748941442 /nfs/dbraw/zinc/94/14/42/748941442.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033211299 748941449 /nfs/dbraw/zinc/94/14/49/748941449.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033211299 748941456 /nfs/dbraw/zinc/94/14/56/748941456.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033211299 748941462 /nfs/dbraw/zinc/94/14/62/748941462.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980520 749314230 /nfs/dbraw/zinc/31/42/30/749314230.db2.gz PAAUPDOCEGNVRW-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980520 749314233 /nfs/dbraw/zinc/31/42/33/749314233.db2.gz PAAUPDOCEGNVRW-CJNGLKHVSA-N 2 2 316.449 1.836 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033544587 749520966 /nfs/dbraw/zinc/52/09/66/749520966.db2.gz LASRUXHYIYQGMK-KRWDZBQOSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033544587 749520972 /nfs/dbraw/zinc/52/09/72/749520972.db2.gz LASRUXHYIYQGMK-KRWDZBQOSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874570 750008727 /nfs/dbraw/zinc/00/87/27/750008727.db2.gz BFNJQVAHYZQNLX-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878736 750020086 /nfs/dbraw/zinc/02/00/86/750020086.db2.gz SDBXKGUTNQLKCO-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878736 750020091 /nfs/dbraw/zinc/02/00/91/750020091.db2.gz SDBXKGUTNQLKCO-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932928 750155077 /nfs/dbraw/zinc/15/50/77/750155077.db2.gz UQXDUTPPFVUBKV-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932928 750155080 /nfs/dbraw/zinc/15/50/80/750155080.db2.gz UQXDUTPPFVUBKV-IAGOWNOFSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003487 750264337 /nfs/dbraw/zinc/26/43/37/750264337.db2.gz IQZVNEBKAWGWGT-QGZVFWFLSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003487 750264343 /nfs/dbraw/zinc/26/43/43/750264343.db2.gz IQZVNEBKAWGWGT-QGZVFWFLSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404625 750595321 /nfs/dbraw/zinc/59/53/21/750595321.db2.gz PODKPWSIMBEONA-HOTGVXAUSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404625 750595323 /nfs/dbraw/zinc/59/53/23/750595323.db2.gz PODKPWSIMBEONA-HOTGVXAUSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005604498 750693850 /nfs/dbraw/zinc/69/38/50/750693850.db2.gz BCCYLNVDCVREKA-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005618792 750710409 /nfs/dbraw/zinc/71/04/09/750710409.db2.gz UPIWBBHSHVXLDY-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038649433 750741798 /nfs/dbraw/zinc/74/17/98/750741798.db2.gz ZQGYACKNEMDUFY-CABCVRRESA-N 2 2 302.422 1.521 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038649433 750741801 /nfs/dbraw/zinc/74/18/01/750741801.db2.gz ZQGYACKNEMDUFY-CABCVRRESA-N 2 2 302.422 1.521 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941207 750753744 /nfs/dbraw/zinc/75/37/44/750753744.db2.gz AARPFBLNLSXXND-WMZOPIPTSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941207 750753750 /nfs/dbraw/zinc/75/37/50/750753750.db2.gz AARPFBLNLSXXND-WMZOPIPTSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941207 750753755 /nfs/dbraw/zinc/75/37/55/750753755.db2.gz AARPFBLNLSXXND-WMZOPIPTSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941207 750753759 /nfs/dbraw/zinc/75/37/59/750753759.db2.gz AARPFBLNLSXXND-WMZOPIPTSA-N 2 2 321.465 1.090 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000998985850 752417104 /nfs/dbraw/zinc/41/71/04/752417104.db2.gz FALVTEIYQDWWFQ-UHFFFAOYSA-N 2 2 303.406 1.788 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006833 752431065 /nfs/dbraw/zinc/43/10/65/752431065.db2.gz GALOVUCPHKASSN-HLIUYOAVSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032658146 752609162 /nfs/dbraw/zinc/60/91/62/752609162.db2.gz PNUXFUFFWIXYHM-GJZGRUSLSA-N 2 2 302.422 1.868 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032658146 752609165 /nfs/dbraw/zinc/60/91/65/752609165.db2.gz PNUXFUFFWIXYHM-GJZGRUSLSA-N 2 2 302.422 1.868 20 30 DDEDLP N#Cc1cc(C(F)(F)F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071863 762218518 /nfs/dbraw/zinc/21/85/18/762218518.db2.gz NTVJUESUFARXQT-SNVBAGLBSA-N 2 2 311.267 1.020 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032781919 753636947 /nfs/dbraw/zinc/63/69/47/753636947.db2.gz NPYFMCZUHFNSLM-BZSNNMDCSA-N 2 2 324.428 1.295 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032781919 753636949 /nfs/dbraw/zinc/63/69/49/753636949.db2.gz NPYFMCZUHFNSLM-BZSNNMDCSA-N 2 2 324.428 1.295 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032781919 753636954 /nfs/dbraw/zinc/63/69/54/753636954.db2.gz NPYFMCZUHFNSLM-BZSNNMDCSA-N 2 2 324.428 1.295 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032781919 753636958 /nfs/dbraw/zinc/63/69/58/753636958.db2.gz NPYFMCZUHFNSLM-BZSNNMDCSA-N 2 2 324.428 1.295 20 30 DDEDLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016252513 754251638 /nfs/dbraw/zinc/25/16/38/754251638.db2.gz SGCZQNFYZCEAOM-SFHVURJKSA-N 2 2 311.429 1.324 20 30 DDEDLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016252513 754251641 /nfs/dbraw/zinc/25/16/41/754251641.db2.gz SGCZQNFYZCEAOM-SFHVURJKSA-N 2 2 311.429 1.324 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078777044 754375998 /nfs/dbraw/zinc/37/59/98/754375998.db2.gz RDQDARFYKAQMHD-LSDHHAIUSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038625064 754384693 /nfs/dbraw/zinc/38/46/93/754384693.db2.gz UXULWPJZHNQDRV-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038625064 754384699 /nfs/dbraw/zinc/38/46/99/754384699.db2.gz UXULWPJZHNQDRV-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625064 754384707 /nfs/dbraw/zinc/38/47/07/754384707.db2.gz UXULWPJZHNQDRV-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625064 754384714 /nfs/dbraw/zinc/38/47/14/754384714.db2.gz UXULWPJZHNQDRV-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739707 755559629 /nfs/dbraw/zinc/55/96/29/755559629.db2.gz DHIWGYZMTSPLBG-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739707 755559633 /nfs/dbraw/zinc/55/96/33/755559633.db2.gz DHIWGYZMTSPLBG-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992152 755667742 /nfs/dbraw/zinc/66/77/42/755667742.db2.gz ZQUKNCARZYORDK-IJEWVQPXSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992152 755667744 /nfs/dbraw/zinc/66/77/44/755667744.db2.gz ZQUKNCARZYORDK-IJEWVQPXSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015012752 756071571 /nfs/dbraw/zinc/07/15/71/756071571.db2.gz GQUYGDBCMQLDBF-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015012752 756071578 /nfs/dbraw/zinc/07/15/78/756071578.db2.gz GQUYGDBCMQLDBF-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015012752 756071582 /nfs/dbraw/zinc/07/15/82/756071582.db2.gz GQUYGDBCMQLDBF-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015012752 756071584 /nfs/dbraw/zinc/07/15/84/756071584.db2.gz GQUYGDBCMQLDBF-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP N#Cc1ncc(Cl)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259586 767911208 /nfs/dbraw/zinc/91/12/08/767911208.db2.gz SEDAYWCNLOKKPN-SNVBAGLBSA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1ncc(Cl)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259586 767911211 /nfs/dbraw/zinc/91/12/11/767911211.db2.gz SEDAYWCNLOKKPN-SNVBAGLBSA-N 2 2 306.801 1.003 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855765 760392349 /nfs/dbraw/zinc/39/23/49/760392349.db2.gz INUIQZUDYVKMMM-SJORKVTESA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855765 760392360 /nfs/dbraw/zinc/39/23/60/760392360.db2.gz INUIQZUDYVKMMM-SJORKVTESA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855765 760392381 /nfs/dbraw/zinc/39/23/81/760392381.db2.gz INUIQZUDYVKMMM-SJORKVTESA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085915935 760531729 /nfs/dbraw/zinc/53/17/29/760531729.db2.gz NLTNVFJPDQFVJV-IRXDYDNUSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085915935 760531734 /nfs/dbraw/zinc/53/17/34/760531734.db2.gz NLTNVFJPDQFVJV-IRXDYDNUSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915935 760531742 /nfs/dbraw/zinc/53/17/42/760531742.db2.gz NLTNVFJPDQFVJV-IRXDYDNUSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915935 760531746 /nfs/dbraw/zinc/53/17/46/760531746.db2.gz NLTNVFJPDQFVJV-IRXDYDNUSA-N 2 2 305.466 1.807 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244021 761050583 /nfs/dbraw/zinc/05/05/83/761050583.db2.gz DAXFYPIMSWOWOB-YOEHRIQHSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244021 761050591 /nfs/dbraw/zinc/05/05/91/761050591.db2.gz DAXFYPIMSWOWOB-YOEHRIQHSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244018 761051507 /nfs/dbraw/zinc/05/15/07/761051507.db2.gz DAXFYPIMSWOWOB-PBHICJAKSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244018 761051516 /nfs/dbraw/zinc/05/15/16/761051516.db2.gz DAXFYPIMSWOWOB-PBHICJAKSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040913917 762732052 /nfs/dbraw/zinc/73/20/52/762732052.db2.gz JJTHDVBVMSYEOU-UHFFFAOYSA-N 2 2 314.433 1.635 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835481 762974917 /nfs/dbraw/zinc/97/49/17/762974917.db2.gz RVTOQLFAKJYKGP-JYJNAYRXSA-N 2 2 302.422 1.818 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077900 763100349 /nfs/dbraw/zinc/10/03/49/763100349.db2.gz GFKLTZKCZYFAOO-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001050077900 763100356 /nfs/dbraw/zinc/10/03/56/763100356.db2.gz GFKLTZKCZYFAOO-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107433 763146474 /nfs/dbraw/zinc/14/64/74/763146474.db2.gz GSTADMAGKHTXFS-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107433 763146476 /nfs/dbraw/zinc/14/64/76/763146476.db2.gz GSTADMAGKHTXFS-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001050694333 763927639 /nfs/dbraw/zinc/92/76/39/763927639.db2.gz VWOGUQZMNNUMLC-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050694333 763927644 /nfs/dbraw/zinc/92/76/44/763927644.db2.gz VWOGUQZMNNUMLC-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001050932230 764299161 /nfs/dbraw/zinc/29/91/61/764299161.db2.gz SVAVAVWZNZOELS-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001050932230 764299166 /nfs/dbraw/zinc/29/91/66/764299166.db2.gz SVAVAVWZNZOELS-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050932230 764299171 /nfs/dbraw/zinc/29/91/71/764299171.db2.gz SVAVAVWZNZOELS-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050932230 764299176 /nfs/dbraw/zinc/29/91/76/764299176.db2.gz SVAVAVWZNZOELS-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001112868132 764901076 /nfs/dbraw/zinc/90/10/76/764901076.db2.gz JUCYVWQWTMRZQC-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170088904 765026488 /nfs/dbraw/zinc/02/64/88/765026488.db2.gz FBLVLFQPHQODIX-UHFFFAOYSA-N 2 2 313.405 1.943 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506193 765897600 /nfs/dbraw/zinc/89/76/00/765897600.db2.gz YNQHKKOZDGRJRH-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506193 765897602 /nfs/dbraw/zinc/89/76/02/765897602.db2.gz YNQHKKOZDGRJRH-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052506088 765897770 /nfs/dbraw/zinc/89/77/70/765897770.db2.gz WBSSXHRXOOXMDX-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052506088 765897775 /nfs/dbraw/zinc/89/77/75/765897775.db2.gz WBSSXHRXOOXMDX-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052505692 765898202 /nfs/dbraw/zinc/89/82/02/765898202.db2.gz MYNHQQFCDCPDCW-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052505692 765898208 /nfs/dbraw/zinc/89/82/08/765898208.db2.gz MYNHQQFCDCPDCW-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001045561788 766402956 /nfs/dbraw/zinc/40/29/56/766402956.db2.gz DDZUQUPWBNCZOO-ZIAGYGMSSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960840 770170160 /nfs/dbraw/zinc/17/01/60/770170160.db2.gz OKLFTOYDSYADFD-IXDOHACOSA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960840 770170165 /nfs/dbraw/zinc/17/01/65/770170165.db2.gz OKLFTOYDSYADFD-IXDOHACOSA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960840 770170174 /nfs/dbraw/zinc/17/01/74/770170174.db2.gz OKLFTOYDSYADFD-IXDOHACOSA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960840 770170181 /nfs/dbraw/zinc/17/01/81/770170181.db2.gz OKLFTOYDSYADFD-IXDOHACOSA-N 2 2 321.465 1.064 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089410 770351343 /nfs/dbraw/zinc/35/13/43/770351343.db2.gz MSYMESAFKYSJNL-OAGGEKHMSA-N 2 2 302.422 1.801 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089410 770351353 /nfs/dbraw/zinc/35/13/53/770351353.db2.gz MSYMESAFKYSJNL-OAGGEKHMSA-N 2 2 302.422 1.801 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049448256 770849866 /nfs/dbraw/zinc/84/98/66/770849866.db2.gz RMHWADUZRCBJCL-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049448256 770849875 /nfs/dbraw/zinc/84/98/75/770849875.db2.gz RMHWADUZRCBJCL-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135310231 771441092 /nfs/dbraw/zinc/44/10/92/771441092.db2.gz YOOHLBGGIGQKFF-UHFFFAOYSA-N 2 2 300.406 1.857 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136054814 771854079 /nfs/dbraw/zinc/85/40/79/771854079.db2.gz LIFXOCYBOGWICE-LSDHHAIUSA-N 2 2 322.453 1.428 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001091103839 772527050 /nfs/dbraw/zinc/52/70/50/772527050.db2.gz JQIDIFHOMKRVGS-ROKHWSDSSA-N 2 2 322.840 1.682 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614995 773191528 /nfs/dbraw/zinc/19/15/28/773191528.db2.gz MGIPJGDNPGCKDT-CQSZACIVSA-N 2 2 313.405 1.941 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725887 773494401 /nfs/dbraw/zinc/49/44/01/773494401.db2.gz QPRSFUHFCAWYDL-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725887 773494404 /nfs/dbraw/zinc/49/44/04/773494404.db2.gz QPRSFUHFCAWYDL-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725887 773494406 /nfs/dbraw/zinc/49/44/06/773494406.db2.gz QPRSFUHFCAWYDL-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001091725887 773494409 /nfs/dbraw/zinc/49/44/09/773494409.db2.gz QPRSFUHFCAWYDL-PBHICJAKSA-N 2 2 300.406 1.146 20 30 DDEDLP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950755 773741082 /nfs/dbraw/zinc/74/10/82/773741082.db2.gz JRFYWSATGWJZBT-HNNXBMFYSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849208 773825398 /nfs/dbraw/zinc/82/53/98/773825398.db2.gz QVUSODPYQSUILZ-KDOFPFPSSA-N 2 2 310.401 1.914 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091849208 773825403 /nfs/dbraw/zinc/82/54/03/773825403.db2.gz QVUSODPYQSUILZ-KDOFPFPSSA-N 2 2 310.401 1.914 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092978174 774336888 /nfs/dbraw/zinc/33/68/88/774336888.db2.gz COKCNJQZTRNLNQ-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092978174 774336894 /nfs/dbraw/zinc/33/68/94/774336894.db2.gz COKCNJQZTRNLNQ-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867060 775017633 /nfs/dbraw/zinc/01/76/33/775017633.db2.gz OMJIZYWCXJQEAU-HIFRSBDPSA-N 2 2 322.840 1.638 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036867060 775017641 /nfs/dbraw/zinc/01/76/41/775017641.db2.gz OMJIZYWCXJQEAU-HIFRSBDPSA-N 2 2 322.840 1.638 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048156 775617882 /nfs/dbraw/zinc/61/78/82/775617882.db2.gz GPSQJODRZCRYKO-CABCVRRESA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048156 775617884 /nfs/dbraw/zinc/61/78/84/775617884.db2.gz GPSQJODRZCRYKO-CABCVRRESA-N 2 2 322.453 1.474 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036881632 775945974 /nfs/dbraw/zinc/94/59/74/775945974.db2.gz YMUPPXBEEQAQMD-GOEBONIOSA-N 2 2 300.406 1.207 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036881632 775945983 /nfs/dbraw/zinc/94/59/83/775945983.db2.gz YMUPPXBEEQAQMD-GOEBONIOSA-N 2 2 300.406 1.207 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036906858 776090111 /nfs/dbraw/zinc/09/01/11/776090111.db2.gz LGFPYYMDGYXVRD-ZIAGYGMSSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036906858 776090116 /nfs/dbraw/zinc/09/01/16/776090116.db2.gz LGFPYYMDGYXVRD-ZIAGYGMSSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036906855 776090164 /nfs/dbraw/zinc/09/01/64/776090164.db2.gz LGFPYYMDGYXVRD-KBPBESRZSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036906855 776090171 /nfs/dbraw/zinc/09/01/71/776090171.db2.gz LGFPYYMDGYXVRD-KBPBESRZSA-N 2 2 308.813 1.558 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577537 776350582 /nfs/dbraw/zinc/35/05/82/776350582.db2.gz SXZGKFPQGCVNGM-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039026 777016822 /nfs/dbraw/zinc/01/68/22/777016822.db2.gz KACWKPLKWMMFDW-MJBXVCDLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071598 777850130 /nfs/dbraw/zinc/85/01/30/777850130.db2.gz QAAYBPZLHVSSGX-ZACQAIPSSA-N 2 2 316.449 1.788 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071598 777850140 /nfs/dbraw/zinc/85/01/40/777850140.db2.gz QAAYBPZLHVSSGX-ZACQAIPSSA-N 2 2 316.449 1.788 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177101986 778446988 /nfs/dbraw/zinc/44/69/88/778446988.db2.gz PPKWLMLCIPMMKA-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001177101986 778446991 /nfs/dbraw/zinc/44/69/91/778446991.db2.gz PPKWLMLCIPMMKA-HZPDHXFCSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001179134016 779290478 /nfs/dbraw/zinc/29/04/78/779290478.db2.gz FDDAHPLTSDGMOS-KRWDZBQOSA-N 2 2 323.481 1.387 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001179134016 779290485 /nfs/dbraw/zinc/29/04/85/779290485.db2.gz FDDAHPLTSDGMOS-KRWDZBQOSA-N 2 2 323.481 1.387 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899165 779546607 /nfs/dbraw/zinc/54/66/07/779546607.db2.gz GZFPLLWZQNQRLH-VKJFTORMSA-N 2 2 314.433 1.582 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899165 779546612 /nfs/dbraw/zinc/54/66/12/779546612.db2.gz GZFPLLWZQNQRLH-VKJFTORMSA-N 2 2 314.433 1.582 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115602539 780262694 /nfs/dbraw/zinc/26/26/94/780262694.db2.gz BUPBNMLUCBIQRF-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414404 836223599 /nfs/dbraw/zinc/22/35/99/836223599.db2.gz BOSSUOSNQBHADL-GJZGRUSLSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001267857134 839085345 /nfs/dbraw/zinc/08/53/45/839085345.db2.gz UOONCWILDNWTKH-RDTXWAMCSA-N 2 2 314.433 1.343 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001268222634 839856397 /nfs/dbraw/zinc/85/63/97/839856397.db2.gz ZHFSJWXKEKGVMP-IRXDYDNUSA-N 2 2 323.481 1.546 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001268222634 839856408 /nfs/dbraw/zinc/85/64/08/839856408.db2.gz ZHFSJWXKEKGVMP-IRXDYDNUSA-N 2 2 323.481 1.546 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812260 842071261 /nfs/dbraw/zinc/07/12/61/842071261.db2.gz AROPGWXWEPBDBA-CABCVRRESA-N 2 2 316.449 1.943 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001271056756 843169467 /nfs/dbraw/zinc/16/94/67/843169467.db2.gz MPDTWQAOXGRWQQ-UHFFFAOYSA-N 2 2 306.410 1.104 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001271619100 843733544 /nfs/dbraw/zinc/73/35/44/843733544.db2.gz SBBFLKVOYCYCFD-XJKSGUPXSA-N 2 2 310.401 1.574 20 30 DDEDLP C#CC[N@@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001326674002 861532287 /nfs/dbraw/zinc/53/22/87/861532287.db2.gz GXZDLLYHTGNCLB-UHFFFAOYSA-N 2 2 322.412 1.499 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001326844623 861652044 /nfs/dbraw/zinc/65/20/44/861652044.db2.gz DZZYLDFHIBCBGH-CQSZACIVSA-N 2 2 300.406 1.097 20 30 DDEDLP C#CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203536498 847130962 /nfs/dbraw/zinc/13/09/62/847130962.db2.gz WEDGCLSQPHVMEZ-IBGZPJMESA-N 2 2 311.429 1.887 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631056 861763453 /nfs/dbraw/zinc/76/34/53/861763453.db2.gz FOUYUBVNLWWVBB-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631056 861763467 /nfs/dbraw/zinc/76/34/67/861763467.db2.gz FOUYUBVNLWWVBB-OAHLLOKOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000997092244 847355660 /nfs/dbraw/zinc/35/56/60/847355660.db2.gz BWQMPMHHPTXDGP-UHFFFAOYSA-N 2 2 309.454 1.254 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001272999751 847762557 /nfs/dbraw/zinc/76/25/57/847762557.db2.gz QBOIUSAMNMSETE-HZPDHXFCSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(=C)C)C1 ZINC001034250443 848159051 /nfs/dbraw/zinc/15/90/51/848159051.db2.gz UTHLMIRRRBNHND-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(=C)C)C1 ZINC001034250443 848159055 /nfs/dbraw/zinc/15/90/55/848159055.db2.gz UTHLMIRRRBNHND-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(=C)C)C1 ZINC001034250443 848159061 /nfs/dbraw/zinc/15/90/61/848159061.db2.gz UTHLMIRRRBNHND-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(=C)C)C1 ZINC001034250443 848159066 /nfs/dbraw/zinc/15/90/66/848159066.db2.gz UTHLMIRRRBNHND-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274748 848222256 /nfs/dbraw/zinc/22/22/56/848222256.db2.gz SEYCXUCMZWABDF-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274748 848222264 /nfs/dbraw/zinc/22/22/64/848222264.db2.gz SEYCXUCMZWABDF-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279420 848241430 /nfs/dbraw/zinc/24/14/30/848241430.db2.gz RRMVAJZZPGAQEM-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279420 848241436 /nfs/dbraw/zinc/24/14/36/848241436.db2.gz RRMVAJZZPGAQEM-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283248 848249807 /nfs/dbraw/zinc/24/98/07/848249807.db2.gz TXTCECIRTBLWLV-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283248 848249820 /nfs/dbraw/zinc/24/98/20/848249820.db2.gz TXTCECIRTBLWLV-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273826283 851391528 /nfs/dbraw/zinc/39/15/28/851391528.db2.gz AIWIEAMAHJIEPL-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273826283 851391534 /nfs/dbraw/zinc/39/15/34/851391534.db2.gz AIWIEAMAHJIEPL-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C#CC[NH2+]C1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001274340128 852173182 /nfs/dbraw/zinc/17/31/82/852173182.db2.gz UASCSFIJCMPIDY-UHFFFAOYSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001274652751 852486162 /nfs/dbraw/zinc/48/61/62/852486162.db2.gz GDADCNUGNWWUBK-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001274652751 852486168 /nfs/dbraw/zinc/48/61/68/852486168.db2.gz GDADCNUGNWWUBK-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001275036076 852764491 /nfs/dbraw/zinc/76/44/91/852764491.db2.gz MBWAZJLRTJYCBC-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001275036076 852764494 /nfs/dbraw/zinc/76/44/94/852764494.db2.gz MBWAZJLRTJYCBC-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001276063031 854692978 /nfs/dbraw/zinc/69/29/78/854692978.db2.gz XJMKIKGZJPHTFB-INIZCTEOSA-N 2 2 323.481 1.236 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001276063031 854692980 /nfs/dbraw/zinc/69/29/80/854692980.db2.gz XJMKIKGZJPHTFB-INIZCTEOSA-N 2 2 323.481 1.236 20 30 DDEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328196291 862761989 /nfs/dbraw/zinc/76/19/89/862761989.db2.gz HBXYKMSKGCNKCJ-OAHLLOKOSA-N 2 2 320.437 1.353 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073049038 858045237 /nfs/dbraw/zinc/04/52/37/858045237.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073049038 858045243 /nfs/dbraw/zinc/04/52/43/858045243.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073049038 858045254 /nfs/dbraw/zinc/04/52/54/858045254.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073049038 858045261 /nfs/dbraw/zinc/04/52/61/858045261.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001224692404 881499933 /nfs/dbraw/zinc/49/99/33/881499933.db2.gz REXWJLXZGQTESK-OAHLLOKOSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)cc1 ZINC001138557513 860128987 /nfs/dbraw/zinc/12/89/87/860128987.db2.gz DAAGFHDKUFJQIJ-PKOBYXMFSA-N 2 2 314.429 1.851 20 30 DDEDLP C#CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)cc1 ZINC001138557513 860128995 /nfs/dbraw/zinc/12/89/95/860128995.db2.gz DAAGFHDKUFJQIJ-PKOBYXMFSA-N 2 2 314.429 1.851 20 30 DDEDLP C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001138557513 860128999 /nfs/dbraw/zinc/12/89/99/860128999.db2.gz DAAGFHDKUFJQIJ-PKOBYXMFSA-N 2 2 314.429 1.851 20 30 DDEDLP C#CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001138557513 860129003 /nfs/dbraw/zinc/12/90/03/860129003.db2.gz DAAGFHDKUFJQIJ-PKOBYXMFSA-N 2 2 314.429 1.851 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224796920 881541161 /nfs/dbraw/zinc/54/11/61/881541161.db2.gz VFPZYPIQFZASAY-AWEZNQCLSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224796920 881541172 /nfs/dbraw/zinc/54/11/72/881541172.db2.gz VFPZYPIQFZASAY-AWEZNQCLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328632296 863118764 /nfs/dbraw/zinc/11/87/64/863118764.db2.gz RMOHBEDWLDBBKB-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248126 863680114 /nfs/dbraw/zinc/68/01/14/863680114.db2.gz HXCZZZLKXICLEA-MRXNPFEDSA-N 2 2 322.453 1.693 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248126 863680115 /nfs/dbraw/zinc/68/01/15/863680115.db2.gz HXCZZZLKXICLEA-MRXNPFEDSA-N 2 2 322.453 1.693 20 30 DDEDLP C=CCOc1cc(C)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158261951 864527185 /nfs/dbraw/zinc/52/71/85/864527185.db2.gz QAPPVFMDUBCBNF-CQSZACIVSA-N 2 2 317.437 1.352 20 30 DDEDLP C=CCOc1cc(C)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158261951 864527196 /nfs/dbraw/zinc/52/71/96/864527196.db2.gz QAPPVFMDUBCBNF-CQSZACIVSA-N 2 2 317.437 1.352 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158470374 864672790 /nfs/dbraw/zinc/67/27/90/864672790.db2.gz BZLHZCSHFYTJJU-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158470374 864672799 /nfs/dbraw/zinc/67/27/99/864672799.db2.gz BZLHZCSHFYTJJU-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001159537389 865385552 /nfs/dbraw/zinc/38/55/52/865385552.db2.gz XFOKJPPIILNWIZ-UHFFFAOYSA-N 2 2 317.418 1.572 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001159537389 865385568 /nfs/dbraw/zinc/38/55/68/865385568.db2.gz XFOKJPPIILNWIZ-UHFFFAOYSA-N 2 2 317.418 1.572 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001319698189 866231653 /nfs/dbraw/zinc/23/16/53/866231653.db2.gz RHHVOMNIIUSCOF-JKSUJKDBSA-N 2 2 320.437 1.302 20 30 DDEDLP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001319849370 866341017 /nfs/dbraw/zinc/34/10/17/866341017.db2.gz OKLSBHMYLPVMSE-ZBFHGGJFSA-N 2 2 315.417 1.483 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319866032 866357052 /nfs/dbraw/zinc/35/70/52/866357052.db2.gz ZJESOSNTCTUFTC-BBRMVZONSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CCC[NH+]1CCC(C2(NC(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001333180971 866492838 /nfs/dbraw/zinc/49/28/38/866492838.db2.gz UXJOPYYNARBYNC-UHFFFAOYSA-N 2 2 314.433 1.645 20 30 DDEDLP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945075 867649674 /nfs/dbraw/zinc/64/96/74/867649674.db2.gz WATBBTGHPSAOPG-MAUKXSAKSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945075 867649686 /nfs/dbraw/zinc/64/96/86/867649686.db2.gz WATBBTGHPSAOPG-MAUKXSAKSA-N 2 2 316.449 1.850 20 30 DDEDLP C[NH+](C)C1(CNc2ncnc3cc(C#N)ccc32)CC[NH+](C)CC1 ZINC001164206852 869013925 /nfs/dbraw/zinc/01/39/25/869013925.db2.gz HQLXMVSHCWTMDK-UHFFFAOYSA-N 2 2 324.432 1.939 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593868 869647553 /nfs/dbraw/zinc/64/75/53/869647553.db2.gz PLEHFHUDHHPCHD-ZIAGYGMSSA-N 2 2 302.422 1.965 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593868 869647561 /nfs/dbraw/zinc/64/75/61/869647561.db2.gz PLEHFHUDHHPCHD-ZIAGYGMSSA-N 2 2 302.422 1.965 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711205 869689072 /nfs/dbraw/zinc/68/90/72/869689072.db2.gz IZBNCWHBPCIRJZ-UHFFFAOYSA-N 2 2 301.390 1.142 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165855942 869738364 /nfs/dbraw/zinc/73/83/64/869738364.db2.gz CGAABVNJAYUDDI-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC001338491070 870008890 /nfs/dbraw/zinc/00/88/90/870008890.db2.gz DGGLKBWTXHHYHD-GDBMZVCRSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC001338491070 870008904 /nfs/dbraw/zinc/00/89/04/870008904.db2.gz DGGLKBWTXHHYHD-GDBMZVCRSA-N 2 2 303.406 1.229 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317043992 870157061 /nfs/dbraw/zinc/15/70/61/870157061.db2.gz FLVUTLDTZUDHEB-NXOAAHMSSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317043992 870157072 /nfs/dbraw/zinc/15/70/72/870157072.db2.gz FLVUTLDTZUDHEB-NXOAAHMSSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317043992 870157079 /nfs/dbraw/zinc/15/70/79/870157079.db2.gz FLVUTLDTZUDHEB-NXOAAHMSSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317043992 870157084 /nfs/dbraw/zinc/15/70/84/870157084.db2.gz FLVUTLDTZUDHEB-NXOAAHMSSA-N 2 2 321.465 1.347 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203661425 870698086 /nfs/dbraw/zinc/69/80/86/870698086.db2.gz VDPRCDFQNHNACD-GJZGRUSLSA-N 2 2 300.406 1.301 20 30 DDEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001203904158 870824832 /nfs/dbraw/zinc/82/48/32/870824832.db2.gz ZHNYVISSVYMCNR-UHFFFAOYSA-N 2 2 303.406 1.875 20 30 DDEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001203904158 870824845 /nfs/dbraw/zinc/82/48/45/870824845.db2.gz ZHNYVISSVYMCNR-UHFFFAOYSA-N 2 2 303.406 1.875 20 30 DDEDLP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CCn1cc[nH+]c1 ZINC001317483334 870900592 /nfs/dbraw/zinc/90/05/92/870900592.db2.gz GADJYAJNTKDCAO-UHFFFAOYSA-N 2 2 324.428 1.763 20 30 DDEDLP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)CCn1cc[nH+]c1 ZINC001317483334 870900600 /nfs/dbraw/zinc/90/06/00/870900600.db2.gz GADJYAJNTKDCAO-UHFFFAOYSA-N 2 2 324.428 1.763 20 30 DDEDLP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317541656 871030660 /nfs/dbraw/zinc/03/06/60/871030660.db2.gz YXEGDQPRZWCEEO-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317541656 871030681 /nfs/dbraw/zinc/03/06/81/871030681.db2.gz YXEGDQPRZWCEEO-HNNXBMFYSA-N 2 2 302.422 1.297 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCOCC3)cc2F)CC1 ZINC001317944463 871641694 /nfs/dbraw/zinc/64/16/94/871641694.db2.gz PTRAPTKBTDDBLH-UHFFFAOYSA-N 2 2 306.385 1.244 20 30 DDEDLP C=CCOCC[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001318078243 871730353 /nfs/dbraw/zinc/73/03/53/871730353.db2.gz NLXMXDOSRLDKDX-UHFFFAOYSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001341710821 871787080 /nfs/dbraw/zinc/78/70/80/871787080.db2.gz AZCDGVPNSULKGB-HNNXBMFYSA-N 2 2 300.406 1.985 20 30 DDEDLP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316909667 872324704 /nfs/dbraw/zinc/32/47/04/872324704.db2.gz SXPPYIXGFAOBPC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316909667 872324723 /nfs/dbraw/zinc/32/47/23/872324723.db2.gz SXPPYIXGFAOBPC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001316909667 872324739 /nfs/dbraw/zinc/32/47/39/872324739.db2.gz SXPPYIXGFAOBPC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001316909667 872324754 /nfs/dbraw/zinc/32/47/54/872324754.db2.gz SXPPYIXGFAOBPC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001381752557 882598114 /nfs/dbraw/zinc/59/81/14/882598114.db2.gz WSDZEXIRIRILFA-UONOGXRCSA-N 2 2 317.861 1.334 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001381752557 882598122 /nfs/dbraw/zinc/59/81/22/882598122.db2.gz WSDZEXIRIRILFA-UONOGXRCSA-N 2 2 317.861 1.334 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428236 872311899 /nfs/dbraw/zinc/31/18/99/872311899.db2.gz WICDQUDVTYFBID-OAHLLOKOSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084534 873821231 /nfs/dbraw/zinc/82/12/31/873821231.db2.gz QBUMSIIBSRSJCC-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP N#Cc1ccnc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276686446 875429138 /nfs/dbraw/zinc/42/91/38/875429138.db2.gz CUQIDLBBMTWSQF-UHFFFAOYSA-N 2 2 322.416 1.774 20 30 DDEDLP C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001220054452 878678701 /nfs/dbraw/zinc/67/87/01/878678701.db2.gz CKMNBHQGTRZCET-MRXNPFEDSA-N 2 2 300.406 1.248 20 30 DDEDLP C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001220054452 878678708 /nfs/dbraw/zinc/67/87/08/878678708.db2.gz CKMNBHQGTRZCET-MRXNPFEDSA-N 2 2 300.406 1.248 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@@H](O)C1 ZINC001220746911 879226437 /nfs/dbraw/zinc/22/64/37/879226437.db2.gz RMYJNRAJFIFKBW-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@@H](O)C1 ZINC001220746911 879226456 /nfs/dbraw/zinc/22/64/56/879226456.db2.gz RMYJNRAJFIFKBW-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746911 879226473 /nfs/dbraw/zinc/22/64/73/879226473.db2.gz RMYJNRAJFIFKBW-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746911 879226487 /nfs/dbraw/zinc/22/64/87/879226487.db2.gz RMYJNRAJFIFKBW-IKGGRYGDSA-N 2 2 317.433 1.027 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001221799859 880097877 /nfs/dbraw/zinc/09/78/77/880097877.db2.gz CFIFMSCTCKLCEO-UHFFFAOYSA-N 2 2 305.426 1.302 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227673718 883124182 /nfs/dbraw/zinc/12/41/82/883124182.db2.gz SHNZNRQJFASAGN-HUUCEWRRSA-N 2 2 302.422 1.393 20 30 DDEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277646671 886240850 /nfs/dbraw/zinc/24/08/50/886240850.db2.gz JMQHNZULFMGKGX-MRXNPFEDSA-N 2 2 314.433 1.222 20 30 DDEDLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277943040 888624125 /nfs/dbraw/zinc/62/41/25/888624125.db2.gz KYZLYRQTYOTAKO-KRWDZBQOSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277943040 888624132 /nfs/dbraw/zinc/62/41/32/888624132.db2.gz KYZLYRQTYOTAKO-KRWDZBQOSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277943040 888624139 /nfs/dbraw/zinc/62/41/39/888624139.db2.gz KYZLYRQTYOTAKO-KRWDZBQOSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@@H+](CCCC#N)C2)C1 ZINC001277943040 888624144 /nfs/dbraw/zinc/62/41/44/888624144.db2.gz KYZLYRQTYOTAKO-KRWDZBQOSA-N 2 2 306.454 1.556 20 30 DDEDLP C=CCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252615140 895316928 /nfs/dbraw/zinc/31/69/28/895316928.db2.gz VIYFAAHOYPLSCP-GOSISDBHSA-N 2 2 304.434 1.936 20 30 DDEDLP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265359630 901921984 /nfs/dbraw/zinc/92/19/84/901921984.db2.gz ALEZJKYCKTYKCN-DOTOQJQBSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001265682409 902295420 /nfs/dbraw/zinc/29/54/20/902295420.db2.gz QUOXOBAVKSKFHL-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001279250512 903202749 /nfs/dbraw/zinc/20/27/49/903202749.db2.gz XCKDKLLBIVGQDY-UQPPLGOBSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611634 904962356 /nfs/dbraw/zinc/96/23/56/904962356.db2.gz VTWZSVLQFNMEME-ZWKOTPCHSA-N 2 2 313.445 1.845 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611634 904962368 /nfs/dbraw/zinc/96/23/68/904962368.db2.gz VTWZSVLQFNMEME-ZWKOTPCHSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001281950511 905346619 /nfs/dbraw/zinc/34/66/19/905346619.db2.gz ULCKMQNFUTYOKD-HNNXBMFYSA-N 2 2 310.401 1.894 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001281950511 905346637 /nfs/dbraw/zinc/34/66/37/905346637.db2.gz ULCKMQNFUTYOKD-HNNXBMFYSA-N 2 2 310.401 1.894 20 30 DDEDLP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282149508 905581761 /nfs/dbraw/zinc/58/17/61/905581761.db2.gz WJTLLJKDISWLRM-OLZOCXBDSA-N 2 2 314.389 1.309 20 30 DDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283204698 906880408 /nfs/dbraw/zinc/88/04/08/906880408.db2.gz USQHQFORQNLQOF-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001393788380 907916398 /nfs/dbraw/zinc/91/63/98/907916398.db2.gz UCOSAACBFFSEOR-KGLIPLIRSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001393788380 907916409 /nfs/dbraw/zinc/91/64/09/907916409.db2.gz UCOSAACBFFSEOR-KGLIPLIRSA-N 2 2 310.829 1.995 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001284239984 908713320 /nfs/dbraw/zinc/71/33/20/908713320.db2.gz AMIIVIYGZCWGPC-GJZGRUSLSA-N 2 2 302.422 1.251 20 30 DDEDLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001376889448 919686298 /nfs/dbraw/zinc/68/62/98/919686298.db2.gz UJCPSCPMVWRZSX-LLVKDONJSA-N 2 2 303.391 1.111 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCC2)CC1 ZINC000329393974 539304069 /nfs/dbraw/zinc/30/40/69/539304069.db2.gz UYMFGCGGTHSCSN-UHFFFAOYSA-N 2 2 317.437 1.804 20 30 DDEDLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000330604342 529778919 /nfs/dbraw/zinc/77/89/19/529778919.db2.gz YBUSBCAKJWNLNQ-ZIAGYGMSSA-N 2 2 305.426 1.634 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000330168777 529801177 /nfs/dbraw/zinc/80/11/77/529801177.db2.gz BBRNPYCOBXZGEJ-QGZVFWFLSA-N 2 2 317.437 1.661 20 30 DDEDLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000330168777 529801178 /nfs/dbraw/zinc/80/11/78/529801178.db2.gz BBRNPYCOBXZGEJ-QGZVFWFLSA-N 2 2 317.437 1.661 20 30 DDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029503 529861981 /nfs/dbraw/zinc/86/19/81/529861981.db2.gz INVISWOTGVAXFN-OAHLLOKOSA-N 2 2 304.438 1.213 20 30 DDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029503 529861982 /nfs/dbraw/zinc/86/19/82/529861982.db2.gz INVISWOTGVAXFN-OAHLLOKOSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029503 529861983 /nfs/dbraw/zinc/86/19/83/529861983.db2.gz INVISWOTGVAXFN-OAHLLOKOSA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347029503 529861984 /nfs/dbraw/zinc/86/19/84/529861984.db2.gz INVISWOTGVAXFN-OAHLLOKOSA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000330873245 232128452 /nfs/dbraw/zinc/12/84/52/232128452.db2.gz HPDNIDYEYXTMAB-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000330873245 232128456 /nfs/dbraw/zinc/12/84/56/232128456.db2.gz HPDNIDYEYXTMAB-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873245 232128461 /nfs/dbraw/zinc/12/84/61/232128461.db2.gz HPDNIDYEYXTMAB-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873245 232128465 /nfs/dbraw/zinc/12/84/65/232128465.db2.gz HPDNIDYEYXTMAB-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2cccs2)CC1 ZINC000081648156 353686797 /nfs/dbraw/zinc/68/67/97/353686797.db2.gz AIPNAYHPHHFADA-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2cccs2)CC1 ZINC000081648156 353686799 /nfs/dbraw/zinc/68/67/99/353686799.db2.gz AIPNAYHPHHFADA-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP CN(C(=O)CC1(C#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590242578 355060465 /nfs/dbraw/zinc/06/04/65/355060465.db2.gz VXMIHPHAJBYOMJ-HNNXBMFYSA-N 2 2 304.438 1.307 20 30 DDEDLP CN(C(=O)CC1(C#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590242578 355060470 /nfs/dbraw/zinc/06/04/70/355060470.db2.gz VXMIHPHAJBYOMJ-HNNXBMFYSA-N 2 2 304.438 1.307 20 30 DDEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591665416 355356498 /nfs/dbraw/zinc/35/64/98/355356498.db2.gz XSHUFCIETCOCQC-ZACQAIPSSA-N 2 2 315.417 1.644 20 30 DDEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000591665416 355356503 /nfs/dbraw/zinc/35/65/03/355356503.db2.gz XSHUFCIETCOCQC-ZACQAIPSSA-N 2 2 315.417 1.644 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592945913 355747831 /nfs/dbraw/zinc/74/78/31/355747831.db2.gz PMKRKAVQDQOKPU-AWEZNQCLSA-N 2 2 303.410 1.139 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000594437117 356213949 /nfs/dbraw/zinc/21/39/49/356213949.db2.gz IENOZIBUMAUASY-MRXNPFEDSA-N 2 2 300.406 1.530 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595509636 356525076 /nfs/dbraw/zinc/52/50/76/356525076.db2.gz GKHQFNQRHJKECC-UHFFFAOYSA-N 2 2 301.434 1.926 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000600715551 358292686 /nfs/dbraw/zinc/29/26/86/358292686.db2.gz GXRVIUYZRSKTRF-QGZVFWFLSA-N 2 2 314.433 1.690 20 30 DDEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602535069 359032810 /nfs/dbraw/zinc/03/28/10/359032810.db2.gz MPFGZBHEJXCLIF-CVEARBPZSA-N 2 2 309.454 1.786 20 30 DDEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602535069 359032813 /nfs/dbraw/zinc/03/28/13/359032813.db2.gz MPFGZBHEJXCLIF-CVEARBPZSA-N 2 2 309.454 1.786 20 30 DDEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611315460 360697465 /nfs/dbraw/zinc/69/74/65/360697465.db2.gz QQAAKFPSZZVJBX-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611315460 360697469 /nfs/dbraw/zinc/69/74/69/360697469.db2.gz QQAAKFPSZZVJBX-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC000611373738 360706960 /nfs/dbraw/zinc/70/69/60/360706960.db2.gz BAVINNYMURYEAP-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC000611373738 360706964 /nfs/dbraw/zinc/70/69/64/360706964.db2.gz BAVINNYMURYEAP-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000611373738 360706968 /nfs/dbraw/zinc/70/69/68/360706968.db2.gz BAVINNYMURYEAP-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000611373738 360706969 /nfs/dbraw/zinc/70/69/69/360706969.db2.gz BAVINNYMURYEAP-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[NH+](CC)CC ZINC000359812133 286727394 /nfs/dbraw/zinc/72/73/94/286727394.db2.gz UATXSBQQNXJINB-INIZCTEOSA-N 2 2 324.469 1.181 20 30 DDEDLP CNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000102653982 407325728 /nfs/dbraw/zinc/32/57/28/407325728.db2.gz YZUYHCHQEPIHGY-UHFFFAOYSA-N 2 2 304.394 1.055 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000120169576 408120490 /nfs/dbraw/zinc/12/04/90/408120490.db2.gz PZQJCNCKXKGFMY-OAHLLOKOSA-N 2 2 300.406 1.809 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330861 408224681 /nfs/dbraw/zinc/22/46/81/408224681.db2.gz GUCBQXXPHNJOBO-ZFWWWQNUSA-N 2 2 300.406 1.769 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246330861 408224686 /nfs/dbraw/zinc/22/46/86/408224686.db2.gz GUCBQXXPHNJOBO-ZFWWWQNUSA-N 2 2 300.406 1.769 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000157234702 408295249 /nfs/dbraw/zinc/29/52/49/408295249.db2.gz QXLMAVLSQAXSHE-UHFFFAOYSA-N 2 2 308.470 1.849 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000157234702 408295255 /nfs/dbraw/zinc/29/52/55/408295255.db2.gz QXLMAVLSQAXSHE-UHFFFAOYSA-N 2 2 308.470 1.849 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000294956939 409307558 /nfs/dbraw/zinc/30/75/58/409307558.db2.gz IZQHRQHCDCMNKD-CYBMUJFWSA-N 2 2 304.390 1.785 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000294956939 409307560 /nfs/dbraw/zinc/30/75/60/409307560.db2.gz IZQHRQHCDCMNKD-CYBMUJFWSA-N 2 2 304.390 1.785 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442019 409963507 /nfs/dbraw/zinc/96/35/07/409963507.db2.gz ZELQPXDRUZPWOW-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442019 409963514 /nfs/dbraw/zinc/96/35/14/409963514.db2.gz ZELQPXDRUZPWOW-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442019 409963519 /nfs/dbraw/zinc/96/35/19/409963519.db2.gz ZELQPXDRUZPWOW-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442019 409963527 /nfs/dbraw/zinc/96/35/27/409963527.db2.gz ZELQPXDRUZPWOW-GJZGRUSLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000328764182 409973102 /nfs/dbraw/zinc/97/31/02/409973102.db2.gz GEYYKOXLSNAOCO-CYBMUJFWSA-N 2 2 305.426 1.312 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636741084 422952543 /nfs/dbraw/zinc/95/25/43/422952543.db2.gz CMYSNMPSUGJOBY-AWEZNQCLSA-N 2 2 303.410 1.148 20 30 DDEDLP C=CCCOCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362776 423126345 /nfs/dbraw/zinc/12/63/45/423126345.db2.gz LGJWHYJKWYFSNL-UHFFFAOYSA-N 2 2 323.481 1.598 20 30 DDEDLP C=CCCOCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362776 423126349 /nfs/dbraw/zinc/12/63/49/423126349.db2.gz LGJWHYJKWYFSNL-UHFFFAOYSA-N 2 2 323.481 1.598 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247544823 222229772 /nfs/dbraw/zinc/22/97/72/222229772.db2.gz KEJHWUIERQGXDY-HLLBOEOZSA-N 2 2 317.437 1.820 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247544823 222229775 /nfs/dbraw/zinc/22/97/75/222229775.db2.gz KEJHWUIERQGXDY-HLLBOEOZSA-N 2 2 317.437 1.820 20 30 DDEDLP C[NH+]=C(NC[C@H](C)C(=O)OC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947020 222263790 /nfs/dbraw/zinc/26/37/90/222263790.db2.gz GEXXMTOZLYRHSG-MELADBBJSA-N 2 2 321.425 1.151 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262442835 222280945 /nfs/dbraw/zinc/28/09/45/222280945.db2.gz HZNQJKNSEQXEAR-CQSZACIVSA-N 2 2 315.425 1.072 20 30 DDEDLP CCCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264113733 222319256 /nfs/dbraw/zinc/31/92/56/222319256.db2.gz RXJQYMRPYCTJBL-UHFFFAOYSA-N 2 2 319.453 1.132 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377773108 418715036 /nfs/dbraw/zinc/71/50/36/418715036.db2.gz HKBSXEWPWVRGLL-ZWKOTPCHSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377773108 418715038 /nfs/dbraw/zinc/71/50/38/418715038.db2.gz HKBSXEWPWVRGLL-ZWKOTPCHSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377773108 418715040 /nfs/dbraw/zinc/71/50/40/418715040.db2.gz HKBSXEWPWVRGLL-ZWKOTPCHSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377773108 418715042 /nfs/dbraw/zinc/71/50/42/418715042.db2.gz HKBSXEWPWVRGLL-ZWKOTPCHSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1=O ZINC000375607665 418661923 /nfs/dbraw/zinc/66/19/23/418661923.db2.gz NLKOAEDTOSKXKJ-HZMVEIRTSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1=O ZINC000375607665 418661926 /nfs/dbraw/zinc/66/19/26/418661926.db2.gz NLKOAEDTOSKXKJ-HZMVEIRTSA-N 2 2 321.465 1.252 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415407 418765851 /nfs/dbraw/zinc/76/58/51/418765851.db2.gz WDNOYCXZTXVKPW-KONPQCLYSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415407 418765854 /nfs/dbraw/zinc/76/58/54/418765854.db2.gz WDNOYCXZTXVKPW-KONPQCLYSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415407 418765855 /nfs/dbraw/zinc/76/58/55/418765855.db2.gz WDNOYCXZTXVKPW-KONPQCLYSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415407 418765858 /nfs/dbraw/zinc/76/58/58/418765858.db2.gz WDNOYCXZTXVKPW-KONPQCLYSA-N 2 2 318.465 1.457 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365665300 418890926 /nfs/dbraw/zinc/89/09/26/418890926.db2.gz BALYVOVTTZYXGU-DZGCQCFKSA-N 2 2 302.378 1.295 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365665300 418890927 /nfs/dbraw/zinc/89/09/27/418890927.db2.gz BALYVOVTTZYXGU-DZGCQCFKSA-N 2 2 302.378 1.295 20 30 DDEDLP C=CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000415102468 419942683 /nfs/dbraw/zinc/94/26/83/419942683.db2.gz AUSRNHUKKXXUBM-OAHLLOKOSA-N 2 2 306.406 1.810 20 30 DDEDLP C=CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000415102468 419942691 /nfs/dbraw/zinc/94/26/91/419942691.db2.gz AUSRNHUKKXXUBM-OAHLLOKOSA-N 2 2 306.406 1.810 20 30 DDEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)cn1 ZINC000425250019 420329966 /nfs/dbraw/zinc/32/99/66/420329966.db2.gz VEMGZMTXXSXDKF-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)cn1 ZINC000425250019 420329968 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312.421 1.906 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568166440 421617363 /nfs/dbraw/zinc/61/73/63/421617363.db2.gz KUCZQFDYZSWNOB-LSDHHAIUSA-N 2 2 302.422 1.799 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568166440 421617365 /nfs/dbraw/zinc/61/73/65/421617365.db2.gz KUCZQFDYZSWNOB-LSDHHAIUSA-N 2 2 302.422 1.799 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211303 421685488 /nfs/dbraw/zinc/68/54/88/421685488.db2.gz PZDSKQHSGOITNT-CVEARBPZSA-N 2 2 324.384 1.995 20 30 DDEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211303 421685493 /nfs/dbraw/zinc/68/54/93/421685493.db2.gz PZDSKQHSGOITNT-CVEARBPZSA-N 2 2 324.384 1.995 20 30 DDEDLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573699533 422003216 /nfs/dbraw/zinc/00/32/16/422003216.db2.gz RHEAPBWXOHOCGZ-QGZVFWFLSA-N 2 2 323.400 1.665 20 30 DDEDLP C=CC[C@@]1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCC[NH2+]1 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20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310033302 333216381 /nfs/dbraw/zinc/21/63/81/333216381.db2.gz YZDPGZPYIFZAKO-IRXDYDNUSA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310033302 333216382 /nfs/dbraw/zinc/21/63/82/333216382.db2.gz YZDPGZPYIFZAKO-IRXDYDNUSA-N 2 2 312.417 1.080 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cn2)CC1 ZINC000564236706 484335300 /nfs/dbraw/zinc/33/53/00/484335300.db2.gz NLGFOSQNIHSATQ-HNNXBMFYSA-N 2 2 312.421 1.367 20 30 DDEDLP COCC#CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000677820734 486549563 /nfs/dbraw/zinc/54/95/63/486549563.db2.gz UOLXXCOAOBSNID-UHFFFAOYSA-N 2 2 301.434 1.670 20 30 DDEDLP COCC#CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000677820734 486549568 /nfs/dbraw/zinc/54/95/68/486549568.db2.gz UOLXXCOAOBSNID-UHFFFAOYSA-N 2 2 301.434 1.670 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OCCCC)CC2)CC1 ZINC000490740680 526947431 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2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC2CCC2)CC1(C)C ZINC000974685128 695711016 /nfs/dbraw/zinc/71/10/16/695711016.db2.gz KBGCFKLQSWMLAO-IRXDYDNUSA-N 2 2 317.477 1.711 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974767591 695730043 /nfs/dbraw/zinc/73/00/43/695730043.db2.gz OWGJXAVFXWYSMR-CQSZACIVSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974767591 695730045 /nfs/dbraw/zinc/73/00/45/695730045.db2.gz OWGJXAVFXWYSMR-CQSZACIVSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981166419 697024405 /nfs/dbraw/zinc/02/44/05/697024405.db2.gz LVXAHYRTJFFRMZ-HUUCEWRRSA-N 2 2 301.390 1.283 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982598119 697156276 /nfs/dbraw/zinc/15/62/76/697156276.db2.gz GGOZIBPVNIQTPW-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1cc(Cl)cn1C 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BEKLXFLWSRMPED-YXJHDRRASA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468058 699330815 /nfs/dbraw/zinc/33/08/15/699330815.db2.gz BEKLXFLWSRMPED-YXJHDRRASA-N 2 2 312.417 1.192 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2CC)CC1 ZINC000875248018 705330234 /nfs/dbraw/zinc/33/02/34/705330234.db2.gz MHDHECDFLILJRT-MRXNPFEDSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)CC1 ZINC000875248018 705330244 /nfs/dbraw/zinc/33/02/44/705330244.db2.gz MHDHECDFLILJRT-MRXNPFEDSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccs1 ZINC000877907306 706238550 /nfs/dbraw/zinc/23/85/50/706238550.db2.gz VXXJOZWZWDFAOR-UHFFFAOYSA-N 2 2 307.463 1.947 20 30 DDEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccs1 ZINC000877907306 706238555 /nfs/dbraw/zinc/23/85/55/706238555.db2.gz VXXJOZWZWDFAOR-UHFFFAOYSA-N 2 2 307.463 1.947 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884470429 708309708 /nfs/dbraw/zinc/30/97/08/708309708.db2.gz OEWOJOPIBMTKEA-QZDWLRDRSA-N 2 2 324.428 1.429 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884470429 708309712 /nfs/dbraw/zinc/30/97/12/708309712.db2.gz OEWOJOPIBMTKEA-QZDWLRDRSA-N 2 2 324.428 1.429 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000886525033 708773133 /nfs/dbraw/zinc/77/31/33/708773133.db2.gz WAVSIOZIDDFGLN-CQSZACIVSA-N 2 2 318.421 1.745 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900598213 709670528 /nfs/dbraw/zinc/67/05/28/709670528.db2.gz DRFLSISSPDHJTC-UHFFFAOYSA-N 2 2 322.497 1.169 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669234 709704289 /nfs/dbraw/zinc/70/42/89/709704289.db2.gz JLLSZAVJUYRFFG-QGZVFWFLSA-N 3 2 322.497 1.121 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669234 709704290 /nfs/dbraw/zinc/70/42/90/709704290.db2.gz JLLSZAVJUYRFFG-QGZVFWFLSA-N 3 2 322.497 1.121 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000890371238 709843842 /nfs/dbraw/zinc/84/38/42/709843842.db2.gz QAOOTLMIAXJPPK-CVEARBPZSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000890371238 709843847 /nfs/dbraw/zinc/84/38/47/709843847.db2.gz QAOOTLMIAXJPPK-CVEARBPZSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000890371238 709843852 /nfs/dbraw/zinc/84/38/52/709843852.db2.gz QAOOTLMIAXJPPK-CVEARBPZSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000890371238 709843856 /nfs/dbraw/zinc/84/38/56/709843856.db2.gz QAOOTLMIAXJPPK-CVEARBPZSA-N 2 2 306.454 1.066 20 30 DDEDLP C=C[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895339821 711488864 /nfs/dbraw/zinc/48/88/64/711488864.db2.gz ABJUWDVDWWOVML-GFCCVEGCSA-N 2 2 314.332 1.706 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896208602 711691563 /nfs/dbraw/zinc/69/15/63/711691563.db2.gz JUBPTIRKSFXHOX-MRXNPFEDSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896208602 711691565 /nfs/dbraw/zinc/69/15/65/711691565.db2.gz JUBPTIRKSFXHOX-MRXNPFEDSA-N 2 2 317.437 1.557 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923429328 714353242 /nfs/dbraw/zinc/35/32/42/714353242.db2.gz ZNZVBOUBLQFRSY-RDJZCZTQSA-N 2 2 315.417 1.562 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000964030673 717971468 /nfs/dbraw/zinc/97/14/68/717971468.db2.gz UTYAWLRKRWXAPG-UHFFFAOYSA-N 2 2 313.401 1.283 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000964088586 717997362 /nfs/dbraw/zinc/99/73/62/717997362.db2.gz GBRGYVRQLXSING-RWQKBRBCSA-N 2 2 312.417 1.096 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850941 716992382 /nfs/dbraw/zinc/99/23/82/716992382.db2.gz QIIBPPURQHHVNU-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850941 716992385 /nfs/dbraw/zinc/99/23/85/716992385.db2.gz QIIBPPURQHHVNU-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP N#Cc1cccc(C[NH2+]CC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000962356087 717419714 /nfs/dbraw/zinc/41/97/14/717419714.db2.gz FKHCCRQELHPUEY-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942177478 717527339 /nfs/dbraw/zinc/52/73/39/717527339.db2.gz VVTSHXINYXKIRH-HIFRSBDPSA-N 2 2 303.406 1.645 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942177478 717527341 /nfs/dbraw/zinc/52/73/41/717527341.db2.gz VVTSHXINYXKIRH-HIFRSBDPSA-N 2 2 303.406 1.645 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365325 717761041 /nfs/dbraw/zinc/76/10/41/717761041.db2.gz GKKUKFLJONVQMG-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963365325 717761048 /nfs/dbraw/zinc/76/10/48/717761048.db2.gz GKKUKFLJONVQMG-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947889709 719299329 /nfs/dbraw/zinc/29/93/29/719299329.db2.gz DXXSYTZZQZJJOL-GJZGRUSLSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000947889709 719299330 /nfs/dbraw/zinc/29/93/30/719299330.db2.gz DXXSYTZZQZJJOL-GJZGRUSLSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556061 719545681 /nfs/dbraw/zinc/54/56/81/719545681.db2.gz BVPJSJULHQUUPA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556061 719545683 /nfs/dbraw/zinc/54/56/83/719545683.db2.gz BVPJSJULHQUUPA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556637 719546339 /nfs/dbraw/zinc/54/63/39/719546339.db2.gz UHWAFKYWPMYUNG-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556637 719546342 /nfs/dbraw/zinc/54/63/42/719546342.db2.gz UHWAFKYWPMYUNG-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949217766 719961660 /nfs/dbraw/zinc/96/16/60/719961660.db2.gz UMVJXMTUJYXGNI-UHFFFAOYSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979873 720584051 /nfs/dbraw/zinc/58/40/51/720584051.db2.gz JTUKTQQRRAACFD-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970000865 720593046 /nfs/dbraw/zinc/59/30/46/720593046.db2.gz NVIGSGFLBCZFLE-OCCSQVGLSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970000865 720593051 /nfs/dbraw/zinc/59/30/51/720593051.db2.gz NVIGSGFLBCZFLE-OCCSQVGLSA-N 2 2 314.433 1.283 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000970342280 720720296 /nfs/dbraw/zinc/72/02/96/720720296.db2.gz ZWTHHITXOLZQLO-OAHLLOKOSA-N 2 2 309.373 1.215 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504395 732446505 /nfs/dbraw/zinc/44/65/05/732446505.db2.gz FNRDWWQPYCKBAM-DZKIICNBSA-N 2 2 307.438 1.053 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504395 732446507 /nfs/dbraw/zinc/44/65/07/732446507.db2.gz FNRDWWQPYCKBAM-DZKIICNBSA-N 2 2 307.438 1.053 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001021127444 732956534 /nfs/dbraw/zinc/95/65/34/732956534.db2.gz LYORYDKDWGAWJG-WKILWMFISA-N 2 2 309.373 1.192 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021599827 733357770 /nfs/dbraw/zinc/35/77/70/733357770.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021599827 733357773 /nfs/dbraw/zinc/35/77/73/733357773.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021599827 733357776 /nfs/dbraw/zinc/35/77/76/733357776.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021599827 733357781 /nfs/dbraw/zinc/35/77/81/733357781.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633082 733386715 /nfs/dbraw/zinc/38/67/15/733386715.db2.gz ONOYJPQPEZKBGN-HZPDHXFCSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633082 733386718 /nfs/dbraw/zinc/38/67/18/733386718.db2.gz ONOYJPQPEZKBGN-HZPDHXFCSA-N 2 2 322.412 1.894 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203203352 733585814 /nfs/dbraw/zinc/58/58/14/733585814.db2.gz QHNOIDDHDIRYAB-KGLIPLIRSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692158 734698688 /nfs/dbraw/zinc/69/86/88/734698688.db2.gz HJMHYJJONSFLTC-TUAOUCFPSA-N 2 2 308.813 1.819 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573826 735262795 /nfs/dbraw/zinc/26/27/95/735262795.db2.gz SZJWMYHAFNKQRR-KRWDZBQOSA-N 2 2 318.421 1.222 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024486716 735864524 /nfs/dbraw/zinc/86/45/24/735864524.db2.gz GUCNHIMEJYSDCZ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024486716 735864528 /nfs/dbraw/zinc/86/45/28/735864528.db2.gz GUCNHIMEJYSDCZ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024486716 735864533 /nfs/dbraw/zinc/86/45/33/735864533.db2.gz GUCNHIMEJYSDCZ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024486716 735864539 /nfs/dbraw/zinc/86/45/39/735864539.db2.gz GUCNHIMEJYSDCZ-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024512089 735887561 /nfs/dbraw/zinc/88/75/61/735887561.db2.gz RFHCPZYIQFKTPA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024512089 735887565 /nfs/dbraw/zinc/88/75/65/735887565.db2.gz RFHCPZYIQFKTPA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980813 738902705 /nfs/dbraw/zinc/90/27/05/738902705.db2.gz DCRZGFKPXGPFTK-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980813 738902706 /nfs/dbraw/zinc/90/27/06/738902706.db2.gz DCRZGFKPXGPFTK-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]12 ZINC001026282539 737295149 /nfs/dbraw/zinc/29/51/49/737295149.db2.gz UJNDJCKRHSIAGQ-FVQBIDKESA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026282539 737295155 /nfs/dbraw/zinc/29/51/55/737295155.db2.gz UJNDJCKRHSIAGQ-FVQBIDKESA-N 2 2 302.422 1.745 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001026516793 737627613 /nfs/dbraw/zinc/62/76/13/737627613.db2.gz AFDHWYAIGZQARU-NFOMZHRRSA-N 2 2 300.406 1.096 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468642 738322503 /nfs/dbraw/zinc/32/25/03/738322503.db2.gz MUGYPISSTICRIZ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468642 738322509 /nfs/dbraw/zinc/32/25/09/738322509.db2.gz MUGYPISSTICRIZ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001027504001 738356969 /nfs/dbraw/zinc/35/69/69/738356969.db2.gz AQUMEWKBCKIVNJ-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001027504001 738356974 /nfs/dbraw/zinc/35/69/74/738356974.db2.gz AQUMEWKBCKIVNJ-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001027504001 738356976 /nfs/dbraw/zinc/35/69/76/738356976.db2.gz AQUMEWKBCKIVNJ-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001027504001 738356980 /nfs/dbraw/zinc/35/69/80/738356980.db2.gz AQUMEWKBCKIVNJ-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977701 738899299 /nfs/dbraw/zinc/89/92/99/738899299.db2.gz WWTDLKNSKWIGPX-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977701 738899301 /nfs/dbraw/zinc/89/93/01/738899301.db2.gz WWTDLKNSKWIGPX-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131396 739075523 /nfs/dbraw/zinc/07/55/23/739075523.db2.gz IVJODIVTYJRANS-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131396 739075527 /nfs/dbraw/zinc/07/55/27/739075527.db2.gz IVJODIVTYJRANS-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001029342614 740582261 /nfs/dbraw/zinc/58/22/61/740582261.db2.gz WZVRRHGXCNVFLO-XHSDSOJGSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001029342614 740582262 /nfs/dbraw/zinc/58/22/62/740582262.db2.gz WZVRRHGXCNVFLO-XHSDSOJGSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001029342614 740582265 /nfs/dbraw/zinc/58/22/65/740582265.db2.gz WZVRRHGXCNVFLO-XHSDSOJGSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001029342614 740582266 /nfs/dbraw/zinc/58/22/66/740582266.db2.gz WZVRRHGXCNVFLO-XHSDSOJGSA-N 2 2 307.413 1.119 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629453 740683054 /nfs/dbraw/zinc/68/30/54/740683054.db2.gz QOZZIGDGMCXYLT-QLFBSQMISA-N 2 2 302.422 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629453 740683057 /nfs/dbraw/zinc/68/30/57/740683057.db2.gz QOZZIGDGMCXYLT-QLFBSQMISA-N 2 2 302.422 1.601 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600364 741924109 /nfs/dbraw/zinc/92/41/09/741924109.db2.gz LTEDKHZUMIISFU-OCCSQVGLSA-N 2 2 305.447 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600364 741924111 /nfs/dbraw/zinc/92/41/11/741924111.db2.gz LTEDKHZUMIISFU-OCCSQVGLSA-N 2 2 305.447 1.636 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075967514 742288879 /nfs/dbraw/zinc/28/88/79/742288879.db2.gz PMFUNZKFMMGWRY-ARFHVFGLSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075967514 742288881 /nfs/dbraw/zinc/28/88/81/742288881.db2.gz PMFUNZKFMMGWRY-ARFHVFGLSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181781293 743338586 /nfs/dbraw/zinc/33/85/86/743338586.db2.gz JPNYPLAXPWRACA-ATNYBXOESA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181781293 743338595 /nfs/dbraw/zinc/33/85/95/743338595.db2.gz JPNYPLAXPWRACA-ATNYBXOESA-N 2 2 314.433 1.611 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182580030 743668673 /nfs/dbraw/zinc/66/86/73/743668673.db2.gz SSUUKJGEEATWPQ-QWQRMKEZSA-N 2 2 314.433 1.537 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC[C@H](C)F)C1 ZINC001030024692 743688912 /nfs/dbraw/zinc/68/89/12/743688912.db2.gz CPQGHNCNOSYEAU-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001030024692 743688915 /nfs/dbraw/zinc/68/89/15/743688915.db2.gz CPQGHNCNOSYEAU-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC[C@H](C)F)C1 ZINC001030024692 743688918 /nfs/dbraw/zinc/68/89/18/743688918.db2.gz CPQGHNCNOSYEAU-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC[C@H](C)F)C1 ZINC001030024692 743688919 /nfs/dbraw/zinc/68/89/19/743688919.db2.gz CPQGHNCNOSYEAU-XHSDSOJGSA-N 2 2 309.429 1.413 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184272710 743997773 /nfs/dbraw/zinc/99/77/73/743997773.db2.gz HJOXNOYKLOTSQT-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793730 751880699 /nfs/dbraw/zinc/88/06/99/751880699.db2.gz MYOFWSWISMHDMO-CQSZACIVSA-N 2 2 312.417 1.387 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184901846 744123431 /nfs/dbraw/zinc/12/34/31/744123431.db2.gz FQENKUDTFKJPRA-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184903194 744123925 /nfs/dbraw/zinc/12/39/25/744123925.db2.gz NAIKENPJXBKUPY-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185370850 744218234 /nfs/dbraw/zinc/21/82/34/744218234.db2.gz QBRUCOBWVQJNKB-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185595171 744255415 /nfs/dbraw/zinc/25/54/15/744255415.db2.gz PZYXGEVSFVRMOL-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788553 744285946 /nfs/dbraw/zinc/28/59/46/744285946.db2.gz ONRHNHXBRVTTOW-JKSUJKDBSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992170316 744656566 /nfs/dbraw/zinc/65/65/66/744656566.db2.gz USJUFUVUUNSOJA-QIIPPGSGSA-N 2 2 312.417 1.576 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992170316 744656567 /nfs/dbraw/zinc/65/65/67/744656567.db2.gz USJUFUVUUNSOJA-QIIPPGSGSA-N 2 2 312.417 1.576 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001040793455 746073567 /nfs/dbraw/zinc/07/35/67/746073567.db2.gz VZQXSTAUEWKCHC-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001036041578 752117572 /nfs/dbraw/zinc/11/75/72/752117572.db2.gz JGEWEHTXQOCSLH-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549204 747196794 /nfs/dbraw/zinc/19/67/94/747196794.db2.gz VEOGIGVSCOZONA-CQSZACIVSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC(C)(C)C1 ZINC001089549204 747196799 /nfs/dbraw/zinc/19/67/99/747196799.db2.gz VEOGIGVSCOZONA-CQSZACIVSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817015 747286761 /nfs/dbraw/zinc/28/67/61/747286761.db2.gz CRRFVSVCUQKRMO-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817015 747286765 /nfs/dbraw/zinc/28/67/65/747286765.db2.gz CRRFVSVCUQKRMO-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP N#Cc1cccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)c1 ZINC001212314866 747834413 /nfs/dbraw/zinc/83/44/13/747834413.db2.gz LJYRZCCHZCXUOJ-CQSZACIVSA-N 2 2 312.377 1.031 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200368230 748217687 /nfs/dbraw/zinc/21/76/87/748217687.db2.gz ZRJPIDMKXUMYGT-HNNXBMFYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082904 748219712 /nfs/dbraw/zinc/21/97/12/748219712.db2.gz VRNZVLAPXHWVIS-HUUCEWRRSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082904 748219720 /nfs/dbraw/zinc/21/97/20/748219720.db2.gz VRNZVLAPXHWVIS-HUUCEWRRSA-N 2 2 311.857 1.613 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200787014 748345494 /nfs/dbraw/zinc/34/54/94/748345494.db2.gz LQDDPNBCHRQWHE-HNNXBMFYSA-N 2 2 320.437 1.320 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201320967 748476907 /nfs/dbraw/zinc/47/69/07/748476907.db2.gz DBMWVJOKRIOINN-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C#N ZINC001168737365 748519690 /nfs/dbraw/zinc/51/96/90/748519690.db2.gz ZNIUZEMEGZCEFJ-UHFFFAOYSA-N 2 2 300.366 1.112 20 30 DDEDLP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004596965 748574845 /nfs/dbraw/zinc/57/48/45/748574845.db2.gz PAWLAODWAOTCHR-NVXWUHKLSA-N 2 2 318.465 1.555 20 30 DDEDLP C[N@H+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004596965 748574849 /nfs/dbraw/zinc/57/48/49/748574849.db2.gz PAWLAODWAOTCHR-NVXWUHKLSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004596965 748574853 /nfs/dbraw/zinc/57/48/53/748574853.db2.gz PAWLAODWAOTCHR-NVXWUHKLSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004596965 748574857 /nfs/dbraw/zinc/57/48/57/748574857.db2.gz PAWLAODWAOTCHR-NVXWUHKLSA-N 2 2 318.465 1.555 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033160313 748682268 /nfs/dbraw/zinc/68/22/68/748682268.db2.gz DPHHINIGPLPFMR-IRXDYDNUSA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033160313 748682273 /nfs/dbraw/zinc/68/22/73/748682273.db2.gz DPHHINIGPLPFMR-IRXDYDNUSA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033160313 748682277 /nfs/dbraw/zinc/68/22/77/748682277.db2.gz DPHHINIGPLPFMR-IRXDYDNUSA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033160313 748682283 /nfs/dbraw/zinc/68/22/83/748682283.db2.gz DPHHINIGPLPFMR-IRXDYDNUSA-N 2 2 303.450 1.583 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211532 748942918 /nfs/dbraw/zinc/94/29/18/748942918.db2.gz JZIHIZUBTNULHT-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039295479 761916750 /nfs/dbraw/zinc/91/67/50/761916750.db2.gz AACQXXCFDCIUDH-MQVJKMGUSA-N 2 2 300.406 1.408 20 30 DDEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039301548 761919923 /nfs/dbraw/zinc/91/99/23/761919923.db2.gz JQTFTZTWSDRIJO-MGNMYUMUSA-N 2 2 314.433 1.969 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996561728 749686809 /nfs/dbraw/zinc/68/68/09/749686809.db2.gz JDWRREDHFRDGGK-CYBMUJFWSA-N 2 2 310.829 1.840 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033786846 749884529 /nfs/dbraw/zinc/88/45/29/749884529.db2.gz AALPPAHEAFOXRT-HOTGVXAUSA-N 2 2 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C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090330 864420589 /nfs/dbraw/zinc/42/05/89/864420589.db2.gz VLTMGZNGAVZEEV-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090330 864420600 /nfs/dbraw/zinc/42/06/00/864420600.db2.gz VLTMGZNGAVZEEV-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090330 864420605 /nfs/dbraw/zinc/42/06/05/864420605.db2.gz VLTMGZNGAVZEEV-BZUAXINKSA-N 2 2 314.433 1.849 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001332063649 865541792 /nfs/dbraw/zinc/54/17/92/865541792.db2.gz HYCFEKHKYGQMCY-AEFFLSMTSA-N 2 2 322.412 1.514 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001332397177 865812622 /nfs/dbraw/zinc/81/26/22/865812622.db2.gz HIBBTLZKOJGUQF-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001332710634 866086208 /nfs/dbraw/zinc/08/62/08/866086208.db2.gz ILIUGXWYAJFMOH-OAHLLOKOSA-N 2 2 304.438 1.800 20 30 DDEDLP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001332710634 866086223 /nfs/dbraw/zinc/08/62/23/866086223.db2.gz ILIUGXWYAJFMOH-OAHLLOKOSA-N 2 2 304.438 1.800 20 30 DDEDLP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320021811 866432690 /nfs/dbraw/zinc/43/26/90/866432690.db2.gz SFEOFLDHVBPINP-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320021811 866432691 /nfs/dbraw/zinc/43/26/91/866432691.db2.gz SFEOFLDHVBPINP-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253671 866471572 /nfs/dbraw/zinc/47/15/72/866471572.db2.gz WZMSONPQIKEDED-HZPDHXFCSA-N 2 2 312.417 1.295 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253671 866471587 /nfs/dbraw/zinc/47/15/87/866471587.db2.gz WZMSONPQIKEDED-HZPDHXFCSA-N 2 2 312.417 1.295 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001323440707 866612149 /nfs/dbraw/zinc/61/21/49/866612149.db2.gz CGLZZHQZXYJMQY-CQSZACIVSA-N 2 2 303.410 1.214 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001323440707 866612158 /nfs/dbraw/zinc/61/21/58/866612158.db2.gz CGLZZHQZXYJMQY-CQSZACIVSA-N 2 2 303.410 1.214 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819171 869721481 /nfs/dbraw/zinc/72/14/81/869721481.db2.gz MDECBZRGAUBYCH-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC001338491073 870008783 /nfs/dbraw/zinc/00/87/83/870008783.db2.gz DGGLKBWTXHHYHD-ZBFHGGJFSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC001338491073 870008796 /nfs/dbraw/zinc/00/87/96/870008796.db2.gz DGGLKBWTXHHYHD-ZBFHGGJFSA-N 2 2 303.406 1.229 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317038936 870148943 /nfs/dbraw/zinc/14/89/43/870148943.db2.gz MWZZMMMTTIXLFY-MRXNPFEDSA-N 2 2 302.422 1.467 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317038936 870148945 /nfs/dbraw/zinc/14/89/45/870148945.db2.gz MWZZMMMTTIXLFY-MRXNPFEDSA-N 2 2 302.422 1.467 20 30 DDEDLP C#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001276432210 870857997 /nfs/dbraw/zinc/85/79/97/870857997.db2.gz KVMBECOOYGASIW-INIZCTEOSA-N 2 2 313.445 1.231 20 30 DDEDLP C#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001276432210 870858010 /nfs/dbraw/zinc/85/80/10/870858010.db2.gz KVMBECOOYGASIW-INIZCTEOSA-N 2 2 313.445 1.231 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317385341 871263014 /nfs/dbraw/zinc/26/30/14/871263014.db2.gz UVILLNACLFOJSP-HNNXBMFYSA-N 2 2 306.410 1.009 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317385341 871263029 /nfs/dbraw/zinc/26/30/29/871263029.db2.gz UVILLNACLFOJSP-HNNXBMFYSA-N 2 2 306.410 1.009 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205536874 871618104 /nfs/dbraw/zinc/61/81/04/871618104.db2.gz FQAXELFXMFVABW-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205551923 871623243 /nfs/dbraw/zinc/62/32/43/871623243.db2.gz AZDXHWABHQNZIQ-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553262 871624686 /nfs/dbraw/zinc/62/46/86/871624686.db2.gz RUVXUBWNCAGFMC-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341843538 871851315 /nfs/dbraw/zinc/85/13/15/871851315.db2.gz WXXKRBLYJFFECJ-GJZGRUSLSA-N 2 2 304.438 1.885 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001318821468 872288671 /nfs/dbraw/zinc/28/86/71/872288671.db2.gz QADCOIHSYVGFPC-MRXNPFEDSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001319489618 872657362 /nfs/dbraw/zinc/65/73/62/872657362.db2.gz FLRCPNGURFJCGC-CQSZACIVSA-N 2 2 316.405 1.587 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084300 873820234 /nfs/dbraw/zinc/82/02/34/873820234.db2.gz NVFDKPGNVWVNRT-HNNXBMFYSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407811 874117427 /nfs/dbraw/zinc/11/74/27/874117427.db2.gz LECDIQKHSXYUCF-HNNXBMFYSA-N 2 2 301.390 1.237 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446982 874148680 /nfs/dbraw/zinc/14/86/80/874148680.db2.gz DYAWKSSBOXAEBP-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450939 874153646 /nfs/dbraw/zinc/15/36/46/874153646.db2.gz OBLJQDHWYOQJMH-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001348804833 874791201 /nfs/dbraw/zinc/79/12/01/874791201.db2.gz VGVADDUOFFWPNX-UHFFFAOYSA-N 2 2 303.410 1.268 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001348804833 874791204 /nfs/dbraw/zinc/79/12/04/874791204.db2.gz VGVADDUOFFWPNX-UHFFFAOYSA-N 2 2 303.410 1.268 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209579731 874987227 /nfs/dbraw/zinc/98/72/27/874987227.db2.gz VFEFHHKNZABLPP-ZIAGYGMSSA-N 2 2 300.406 1.434 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894577 876498427 /nfs/dbraw/zinc/49/84/27/876498427.db2.gz NFAYBVCMXIAEFL-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894577 876498432 /nfs/dbraw/zinc/49/84/32/876498432.db2.gz NFAYBVCMXIAEFL-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855738 876817457 /nfs/dbraw/zinc/81/74/57/876817457.db2.gz XAIBAYBBYRONCL-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855738 876817461 /nfs/dbraw/zinc/81/74/61/876817461.db2.gz XAIBAYBBYRONCL-IIAWOOMASA-N 2 2 320.437 1.227 20 30 DDEDLP N#Cc1c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)sc2c1CCC2 ZINC001218547477 877560474 /nfs/dbraw/zinc/56/04/74/877560474.db2.gz ILUGBYPNYMBLIN-HFAKWTLXSA-N 2 2 302.403 1.269 20 30 DDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221346949 879705823 /nfs/dbraw/zinc/70/58/23/879705823.db2.gz BFDDOLZFMQMYTJ-KRWDZBQOSA-N 2 2 314.433 1.768 20 30 DDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221346949 879705834 /nfs/dbraw/zinc/70/58/34/879705834.db2.gz BFDDOLZFMQMYTJ-KRWDZBQOSA-N 2 2 314.433 1.768 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228668655 883606408 /nfs/dbraw/zinc/60/64/08/883606408.db2.gz DZCMHZYDXUHSEF-KLHDSHLOSA-N 2 2 314.433 1.564 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001382358706 883901705 /nfs/dbraw/zinc/90/17/05/883901705.db2.gz VBOFPDANCPCNGO-QWHCGFSZSA-N 2 2 310.829 1.969 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001382358706 883901718 /nfs/dbraw/zinc/90/17/18/883901718.db2.gz VBOFPDANCPCNGO-QWHCGFSZSA-N 2 2 310.829 1.969 20 30 DDEDLP N#CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001277941475 888601764 /nfs/dbraw/zinc/60/17/64/888601764.db2.gz PNJBBMIBSCHEQZ-BBWFWOEESA-N 2 2 316.449 1.450 20 30 DDEDLP N#CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001277941475 888601771 /nfs/dbraw/zinc/60/17/71/888601771.db2.gz PNJBBMIBSCHEQZ-BBWFWOEESA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038230 897942652 /nfs/dbraw/zinc/94/26/52/897942652.db2.gz GHPZQVXFGYGDTM-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001263907774 900812323 /nfs/dbraw/zinc/81/23/23/900812323.db2.gz KGEMNDWATZDYQO-ARFHVFGLSA-N 2 2 316.449 1.896 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001284603453 909239878 /nfs/dbraw/zinc/23/98/78/909239878.db2.gz IJNGCHZNTFIROL-GJZGRUSLSA-N 2 2 316.449 1.589 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725199 191222624 /nfs/dbraw/zinc/22/26/24/191222624.db2.gz DBLASNBOONGLPP-HOTGVXAUSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725199 191222625 /nfs/dbraw/zinc/22/26/25/191222625.db2.gz DBLASNBOONGLPP-HOTGVXAUSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725199 191222629 /nfs/dbraw/zinc/22/26/29/191222629.db2.gz DBLASNBOONGLPP-HOTGVXAUSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725199 191222630 /nfs/dbraw/zinc/22/26/30/191222630.db2.gz DBLASNBOONGLPP-HOTGVXAUSA-N 2 2 308.470 1.801 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000072813351 353217345 /nfs/dbraw/zinc/21/73/45/353217345.db2.gz UBGYADZBKGGWHM-UHFFFAOYSA-N 2 2 309.373 1.099 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974477 353641666 /nfs/dbraw/zinc/64/16/66/353641666.db2.gz MHPIOYWXDIUERC-XJKSGUPXSA-N 2 2 303.410 1.644 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974477 353641669 /nfs/dbraw/zinc/64/16/69/353641669.db2.gz MHPIOYWXDIUERC-XJKSGUPXSA-N 2 2 303.410 1.644 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@H](C)C1 ZINC000087511940 353751662 /nfs/dbraw/zinc/75/16/62/353751662.db2.gz HIWUYIWRFZZKRY-QWHCGFSZSA-N 2 2 306.458 1.730 20 30 DDEDLP CN(C)[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1c[nH+]cn1C ZINC000328798422 222897357 /nfs/dbraw/zinc/89/73/57/222897357.db2.gz WSNUQQIFKNRQNG-INIZCTEOSA-N 2 2 319.453 1.854 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000594436845 356214138 /nfs/dbraw/zinc/21/41/38/356214138.db2.gz KAKPGQPJAAMMBN-ZIAGYGMSSA-N 2 2 301.394 1.188 20 30 DDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499934 356238431 /nfs/dbraw/zinc/23/84/31/356238431.db2.gz FPYANGAIKSOSBL-QGZVFWFLSA-N 2 2 300.450 1.823 20 30 DDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499934 356238436 /nfs/dbraw/zinc/23/84/36/356238436.db2.gz FPYANGAIKSOSBL-QGZVFWFLSA-N 2 2 300.450 1.823 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000598616853 357655499 /nfs/dbraw/zinc/65/54/99/357655499.db2.gz CHFVBYBJDVRNIU-JKSUJKDBSA-N 2 2 309.454 1.474 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000598616853 357655504 /nfs/dbraw/zinc/65/55/04/357655504.db2.gz CHFVBYBJDVRNIU-JKSUJKDBSA-N 2 2 309.454 1.474 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602535071 359032566 /nfs/dbraw/zinc/03/25/66/359032566.db2.gz MPFGZBHEJXCLIF-HZPDHXFCSA-N 2 2 309.454 1.786 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602535071 359032570 /nfs/dbraw/zinc/03/25/70/359032570.db2.gz MPFGZBHEJXCLIF-HZPDHXFCSA-N 2 2 309.454 1.786 20 30 DDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000602747929 359165796 /nfs/dbraw/zinc/16/57/96/359165796.db2.gz JOOIECBKMJGMNB-UHFFFAOYSA-N 2 2 310.405 1.607 20 30 DDEDLP N#Cc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000188974639 200330158 /nfs/dbraw/zinc/33/01/58/200330158.db2.gz AWCCDAQWXFNLJQ-UHFFFAOYSA-N 2 2 313.449 1.951 20 30 DDEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000610560174 360467963 /nfs/dbraw/zinc/46/79/63/360467963.db2.gz QRCDSNYIWBZGQT-AWEZNQCLSA-N 2 2 300.406 1.153 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091334267 193042546 /nfs/dbraw/zinc/04/25/46/193042546.db2.gz SNSUDVFAPOCFKJ-CYBMUJFWSA-N 2 2 323.462 1.635 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000119612253 195002113 /nfs/dbraw/zinc/00/21/13/195002113.db2.gz ITNSQMBDUADEPB-CQSZACIVSA-N 2 2 304.463 1.832 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000119612253 195002115 /nfs/dbraw/zinc/00/21/15/195002115.db2.gz ITNSQMBDUADEPB-CQSZACIVSA-N 2 2 304.463 1.832 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369598937 285040208 /nfs/dbraw/zinc/04/02/08/285040208.db2.gz GKCNIRHZJQYQBC-NCOADZHNSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369598937 285040210 /nfs/dbraw/zinc/04/02/10/285040210.db2.gz GKCNIRHZJQYQBC-NCOADZHNSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354204847 285037062 /nfs/dbraw/zinc/03/70/62/285037062.db2.gz PQGVOEPCHACHGH-BZUAXINKSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354204847 285037064 /nfs/dbraw/zinc/03/70/64/285037064.db2.gz PQGVOEPCHACHGH-BZUAXINKSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354204847 285037065 /nfs/dbraw/zinc/03/70/65/285037065.db2.gz PQGVOEPCHACHGH-BZUAXINKSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354204847 285037068 /nfs/dbraw/zinc/03/70/68/285037068.db2.gz PQGVOEPCHACHGH-BZUAXINKSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369598937 285040212 /nfs/dbraw/zinc/04/02/12/285040212.db2.gz GKCNIRHZJQYQBC-NCOADZHNSA-N 2 2 318.465 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369598937 285040213 /nfs/dbraw/zinc/04/02/13/285040213.db2.gz GKCNIRHZJQYQBC-NCOADZHNSA-N 2 2 318.465 1.411 20 30 DDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000156523289 197119622 /nfs/dbraw/zinc/11/96/22/197119622.db2.gz ZSEMSWWCIRFEOO-SJLPKXTDSA-N 2 2 315.417 1.246 20 30 DDEDLP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000156523289 197119624 /nfs/dbraw/zinc/11/96/24/197119624.db2.gz ZSEMSWWCIRFEOO-SJLPKXTDSA-N 2 2 315.417 1.246 20 30 DDEDLP NC(=[NH+]O[C@@H]1CCNC1=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000179118817 407728023 /nfs/dbraw/zinc/72/80/23/407728023.db2.gz YSYZNRLFUXCJDO-OAHLLOKOSA-N 2 2 316.405 1.198 20 30 DDEDLP Cc1nnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1C ZINC000273599556 408259001 /nfs/dbraw/zinc/25/90/01/408259001.db2.gz XWOQECACLJPQDN-UHFFFAOYSA-N 2 2 302.382 1.022 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000264367766 408461204 /nfs/dbraw/zinc/46/12/04/408461204.db2.gz IGTGCUJSKDVQEF-CQSZACIVSA-N 2 2 305.426 1.611 20 30 DDEDLP CCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304795443 409644666 /nfs/dbraw/zinc/64/46/66/409644666.db2.gz MJTCTSNPIRZRAC-UHFFFAOYSA-N 3 2 309.502 1.641 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000354302233 409751860 /nfs/dbraw/zinc/75/18/60/409751860.db2.gz FQJKTNBXKNGYOT-ONYGOOLBSA-N 2 2 318.465 1.696 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000354302233 409751865 /nfs/dbraw/zinc/75/18/65/409751865.db2.gz FQJKTNBXKNGYOT-ONYGOOLBSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1C ZINC000328616523 409938329 /nfs/dbraw/zinc/93/83/29/409938329.db2.gz SPCLIJSBQUTFNI-MGPQQGTHSA-N 2 2 305.426 1.747 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1C ZINC000328616523 409938335 /nfs/dbraw/zinc/93/83/35/409938335.db2.gz SPCLIJSBQUTFNI-MGPQQGTHSA-N 2 2 305.426 1.747 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168544 410570849 /nfs/dbraw/zinc/57/08/49/410570849.db2.gz AYVFYLZTJFDENB-CHWSQXEVSA-N 2 2 314.393 1.335 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000352417602 410654128 /nfs/dbraw/zinc/65/41/28/410654128.db2.gz RFWVOMRMHCNYIH-UHFFFAOYSA-N 2 2 321.469 1.394 20 30 DDEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000377620536 418711657 /nfs/dbraw/zinc/71/16/57/418711657.db2.gz DZHFHDXGUDOHJF-HNNXBMFYSA-N 2 2 302.422 1.753 20 30 DDEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000377620536 418711660 /nfs/dbraw/zinc/71/16/60/418711660.db2.gz DZHFHDXGUDOHJF-HNNXBMFYSA-N 2 2 302.422 1.753 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370721962 418747530 /nfs/dbraw/zinc/74/75/30/418747530.db2.gz BAWLFCQEWIIBAO-CQSZACIVSA-N 2 2 303.410 1.362 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370721962 418747531 /nfs/dbraw/zinc/74/75/31/418747531.db2.gz BAWLFCQEWIIBAO-CQSZACIVSA-N 2 2 303.410 1.362 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458989221 420776569 /nfs/dbraw/zinc/77/65/69/420776569.db2.gz AWIHFSIMBCKBOC-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458989221 420776574 /nfs/dbraw/zinc/77/65/74/420776574.db2.gz AWIHFSIMBCKBOC-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531978 420779404 /nfs/dbraw/zinc/77/94/04/420779404.db2.gz RRSWWRKHVVJLOV-IAGOWNOFSA-N 2 2 314.433 1.939 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000447531978 420779405 /nfs/dbraw/zinc/77/94/05/420779405.db2.gz RRSWWRKHVVJLOV-IAGOWNOFSA-N 2 2 314.433 1.939 20 30 DDEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449223379 420971631 /nfs/dbraw/zinc/97/16/31/420971631.db2.gz JMLWLKBXWYLZLU-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069061 421715810 /nfs/dbraw/zinc/71/58/10/421715810.db2.gz UDFHDYCBYAKKGG-KBPBESRZSA-N 2 2 303.410 1.218 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069061 421715812 /nfs/dbraw/zinc/71/58/12/421715812.db2.gz UDFHDYCBYAKKGG-KBPBESRZSA-N 2 2 303.410 1.218 20 30 DDEDLP C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075124 423292526 /nfs/dbraw/zinc/29/25/26/423292526.db2.gz GHNTYTQVFBVMLM-MRXNPFEDSA-N 2 2 305.422 1.489 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762241 423716548 /nfs/dbraw/zinc/71/65/48/423716548.db2.gz LDTOMLKIJZGYJD-NVXWUHKLSA-N 2 2 311.470 1.188 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762241 423716554 /nfs/dbraw/zinc/71/65/54/423716554.db2.gz LDTOMLKIJZGYJD-NVXWUHKLSA-N 2 2 311.470 1.188 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOC(C)C)CC2)CCC[NH2+]1 ZINC000662741698 424753571 /nfs/dbraw/zinc/75/35/71/424753571.db2.gz IABXNNSEXJVJJB-QGZVFWFLSA-N 2 2 309.454 1.254 20 30 DDEDLP C[C@@H]1OCC[C@]1(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000329761339 288914793 /nfs/dbraw/zinc/91/47/93/288914793.db2.gz RGNFMJNWCHKFHH-BBRMVZONSA-N 2 2 312.458 1.084 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861955 334341643 /nfs/dbraw/zinc/34/16/43/334341643.db2.gz ZICAGHWBHJKBDI-AWEZNQCLSA-N 2 2 315.421 1.718 20 30 DDEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)CCC2 ZINC000330420927 534509242 /nfs/dbraw/zinc/50/92/42/534509242.db2.gz ZKMGKGQDRFTUSM-CQSZACIVSA-N 2 2 307.442 1.913 20 30 DDEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)CCC2 ZINC000330420927 534509250 /nfs/dbraw/zinc/50/92/50/534509250.db2.gz ZKMGKGQDRFTUSM-CQSZACIVSA-N 2 2 307.442 1.913 20 30 DDEDLP C=CCOCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348128126 526746131 /nfs/dbraw/zinc/74/61/31/526746131.db2.gz ZAJNUHCYBADYOH-HOTGVXAUSA-N 2 2 324.444 1.857 20 30 DDEDLP C=CCOCCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348128126 526746137 /nfs/dbraw/zinc/74/61/37/526746137.db2.gz ZAJNUHCYBADYOH-HOTGVXAUSA-N 2 2 324.444 1.857 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000491670172 526820944 /nfs/dbraw/zinc/82/09/44/526820944.db2.gz YRBAZYACZCWPBC-CQSZACIVSA-N 2 2 316.449 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/nfs/dbraw/zinc/15/83/10/751158310.db2.gz DZJQPKWMOPPCJU-KRWDZBQOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997762989 751265609 /nfs/dbraw/zinc/26/56/09/751265609.db2.gz RNIZJWAIYRLUMC-NUEKZKHPSA-N 2 2 314.433 1.374 20 30 DDEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035246494 751328656 /nfs/dbraw/zinc/32/86/56/751328656.db2.gz MTJXDZNWGQEKTQ-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035246494 751328662 /nfs/dbraw/zinc/32/86/62/751328662.db2.gz MTJXDZNWGQEKTQ-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006835 752430629 /nfs/dbraw/zinc/43/06/29/752430629.db2.gz GALOVUCPHKASSN-VQCLRJIVSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854436 762271092 /nfs/dbraw/zinc/27/10/92/762271092.db2.gz JYYGPZGEKPUPGM-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000854436 762271097 /nfs/dbraw/zinc/27/10/97/762271097.db2.gz JYYGPZGEKPUPGM-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001564489 754403932 /nfs/dbraw/zinc/40/39/32/754403932.db2.gz RPRSGVRVHCVARC-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739674 755559551 /nfs/dbraw/zinc/55/95/51/755559551.db2.gz BMJALIPENNFODK-UKRRQHHQSA-N 2 2 302.422 1.384 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739674 755559556 /nfs/dbraw/zinc/55/95/56/755559556.db2.gz BMJALIPENNFODK-UKRRQHHQSA-N 2 2 302.422 1.384 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001079878383 755617678 /nfs/dbraw/zinc/61/76/78/755617678.db2.gz WLRKYYKLTPQZAG-ZACQAIPSSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001079878383 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ZCIBUJFOKCBPJI-BRWVUGGUSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082320169 756736132 /nfs/dbraw/zinc/73/61/32/756736132.db2.gz ZCIBUJFOKCBPJI-BRWVUGGUSA-N 2 2 321.465 1.090 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001016252244 756869423 /nfs/dbraw/zinc/86/94/23/756869423.db2.gz AQXPTBLWDAHSIH-IAGOWNOFSA-N 2 2 312.417 1.200 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001016252244 756869430 /nfs/dbraw/zinc/86/94/30/756869430.db2.gz AQXPTBLWDAHSIH-IAGOWNOFSA-N 2 2 312.417 1.200 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001016252244 756869436 /nfs/dbraw/zinc/86/94/36/756869436.db2.gz AQXPTBLWDAHSIH-IAGOWNOFSA-N 2 2 312.417 1.200 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001016252244 756869440 /nfs/dbraw/zinc/86/94/40/756869440.db2.gz AQXPTBLWDAHSIH-IAGOWNOFSA-N 2 2 312.417 1.200 20 30 DDEDLP 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1.603 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001020174726 760649723 /nfs/dbraw/zinc/64/97/23/760649723.db2.gz OFZYJRHUVRSZGF-XEZPLFJOSA-N 2 2 317.437 1.603 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244020 761050387 /nfs/dbraw/zinc/05/03/87/761050387.db2.gz DAXFYPIMSWOWOB-WMLDXEAASA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108244020 761050398 /nfs/dbraw/zinc/05/03/98/761050398.db2.gz DAXFYPIMSWOWOB-WMLDXEAASA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038423648 761104627 /nfs/dbraw/zinc/10/46/27/761104627.db2.gz DLGPKJSWVFBMJN-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038423648 761104630 /nfs/dbraw/zinc/10/46/30/761104630.db2.gz DLGPKJSWVFBMJN-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108700335 762869695 /nfs/dbraw/zinc/86/96/95/762869695.db2.gz YTWFNNRJYJNNPM-IMJJTQAJSA-N 2 2 300.406 1.335 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108700335 762869704 /nfs/dbraw/zinc/86/97/04/762869704.db2.gz YTWFNNRJYJNNPM-IMJJTQAJSA-N 2 2 300.406 1.335 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001553456 762954619 /nfs/dbraw/zinc/95/46/19/762954619.db2.gz QJBVEKXZIJQXMO-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041718712 763248855 /nfs/dbraw/zinc/24/88/55/763248855.db2.gz ZAGJVVBLYUKJQO-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041718712 763248862 /nfs/dbraw/zinc/24/88/62/763248862.db2.gz ZAGJVVBLYUKJQO-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042331871 763926569 /nfs/dbraw/zinc/92/65/69/763926569.db2.gz FUBCMEIOEJRVFB-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042331871 763926581 /nfs/dbraw/zinc/92/65/81/763926581.db2.gz FUBCMEIOEJRVFB-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042334047 763929880 /nfs/dbraw/zinc/92/98/80/763929880.db2.gz DKMFQWFHGSHFOH-ZBFHGGJFSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042334047 763929891 /nfs/dbraw/zinc/92/98/91/763929891.db2.gz DKMFQWFHGSHFOH-ZBFHGGJFSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001050946311 764324866 /nfs/dbraw/zinc/32/48/66/764324866.db2.gz AMWANBJPJIDERT-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001050946311 764324876 /nfs/dbraw/zinc/32/48/76/764324876.db2.gz AMWANBJPJIDERT-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050946311 764324881 /nfs/dbraw/zinc/32/48/81/764324881.db2.gz AMWANBJPJIDERT-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050946311 764324890 /nfs/dbraw/zinc/32/48/90/764324890.db2.gz AMWANBJPJIDERT-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001113027582 765163298 /nfs/dbraw/zinc/16/32/98/765163298.db2.gz SBIIBENIZZRSKA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355711 765603864 /nfs/dbraw/zinc/60/38/64/765603864.db2.gz JWRHSGVGVVDKLT-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001113355711 765603867 /nfs/dbraw/zinc/60/38/67/765603867.db2.gz JWRHSGVGVVDKLT-UHFFFAOYSA-N 2 2 315.461 1.881 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001044811540 765829363 /nfs/dbraw/zinc/82/93/63/765829363.db2.gz ZTSSXGGUXLYXDD-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477960 767547392 /nfs/dbraw/zinc/54/73/92/767547392.db2.gz OYITZPJGZLJYQH-QGZVFWFLSA-N 2 2 322.412 1.203 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487921 767562405 /nfs/dbraw/zinc/56/24/05/767562405.db2.gz LDSDTYWRDXLJSO-HNNXBMFYSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335304 768760158 /nfs/dbraw/zinc/76/01/58/768760158.db2.gz MHULUYPXRXKULF-CVEARBPZSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335304 768760160 /nfs/dbraw/zinc/76/01/60/768760160.db2.gz MHULUYPXRXKULF-CVEARBPZSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCF ZINC001049528772 770982679 /nfs/dbraw/zinc/98/26/79/770982679.db2.gz IIIRLXIJBQKZNX-JYJNAYRXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCF ZINC001049528772 770982684 /nfs/dbraw/zinc/98/26/84/770982684.db2.gz IIIRLXIJBQKZNX-JYJNAYRXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCF ZINC001049528772 770982690 /nfs/dbraw/zinc/98/26/90/770982690.db2.gz IIIRLXIJBQKZNX-JYJNAYRXSA-N 2 2 307.413 1.119 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCF ZINC001049528772 770982698 /nfs/dbraw/zinc/98/26/98/770982698.db2.gz IIIRLXIJBQKZNX-JYJNAYRXSA-N 2 2 307.413 1.119 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611498 771018557 /nfs/dbraw/zinc/01/85/57/771018557.db2.gz GYUDTWJVZSMWDS-JKSUJKDBSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611498 771018563 /nfs/dbraw/zinc/01/85/63/771018563.db2.gz GYUDTWJVZSMWDS-JKSUJKDBSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049868997 771220716 /nfs/dbraw/zinc/22/07/16/771220716.db2.gz AXLOYAGWLWLVEI-JKSUJKDBSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049868997 771220717 /nfs/dbraw/zinc/22/07/17/771220717.db2.gz AXLOYAGWLWLVEI-JKSUJKDBSA-N 2 2 300.406 1.051 20 30 DDEDLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001146780095 772936486 /nfs/dbraw/zinc/93/64/86/772936486.db2.gz UALNOVLUWSKGOD-SJORKVTESA-N 2 2 324.428 1.808 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086946336 773733808 /nfs/dbraw/zinc/73/38/08/773733808.db2.gz WKLLNLGKQMWELA-CQSZACIVSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098214807 774513738 /nfs/dbraw/zinc/51/37/38/774513738.db2.gz YQLPFJUTNQPYSJ-TUVASFSCSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098214807 774513742 /nfs/dbraw/zinc/51/37/42/774513742.db2.gz YQLPFJUTNQPYSJ-TUVASFSCSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098214807 774513745 /nfs/dbraw/zinc/51/37/45/774513745.db2.gz YQLPFJUTNQPYSJ-TUVASFSCSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098214807 774513750 /nfs/dbraw/zinc/51/37/50/774513750.db2.gz YQLPFJUTNQPYSJ-TUVASFSCSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829728 774826568 /nfs/dbraw/zinc/82/65/68/774826568.db2.gz KHYZBUXPTGXQLQ-JSGCOSHPSA-N 2 2 308.813 1.628 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829728 774826577 /nfs/dbraw/zinc/82/65/77/774826577.db2.gz KHYZBUXPTGXQLQ-JSGCOSHPSA-N 2 2 308.813 1.628 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018164 775577038 /nfs/dbraw/zinc/57/70/38/775577038.db2.gz POYPQDPTRDKMDV-JKSUJKDBSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018164 775577042 /nfs/dbraw/zinc/57/70/42/775577042.db2.gz POYPQDPTRDKMDV-JKSUJKDBSA-N 2 2 322.453 1.474 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100460919 776187077 /nfs/dbraw/zinc/18/70/77/776187077.db2.gz FDQUBIQXCKQQPO-SHARSMKWSA-N 2 2 316.449 1.884 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100460919 776187081 /nfs/dbraw/zinc/18/70/81/776187081.db2.gz FDQUBIQXCKQQPO-SHARSMKWSA-N 2 2 316.449 1.884 20 30 DDEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177131020 778455363 /nfs/dbraw/zinc/45/53/63/778455363.db2.gz JWZXYOZLNPDGGA-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177131020 778455367 /nfs/dbraw/zinc/45/53/67/778455367.db2.gz JWZXYOZLNPDGGA-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177131017 778455546 /nfs/dbraw/zinc/45/55/46/778455546.db2.gz JWZXYOZLNPDGGA-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177131017 778455552 /nfs/dbraw/zinc/45/55/52/778455552.db2.gz JWZXYOZLNPDGGA-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580863 780248696 /nfs/dbraw/zinc/24/86/96/780248696.db2.gz RUUWXQSTSIYVKN-HUUCEWRRSA-N 2 2 314.433 1.945 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580863 780248699 /nfs/dbraw/zinc/24/86/99/780248699.db2.gz RUUWXQSTSIYVKN-HUUCEWRRSA-N 2 2 314.433 1.945 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266460401 836291923 /nfs/dbraw/zinc/29/19/23/836291923.db2.gz ZQSDOCQHHBLTBO-JKSUJKDBSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266460401 836291933 /nfs/dbraw/zinc/29/19/33/836291933.db2.gz ZQSDOCQHHBLTBO-JKSUJKDBSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766997 836800727 /nfs/dbraw/zinc/80/07/27/836800727.db2.gz KSFAEANVYCUYRK-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266766997 836800738 /nfs/dbraw/zinc/80/07/38/836800738.db2.gz KSFAEANVYCUYRK-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267657722 838596627 /nfs/dbraw/zinc/59/66/27/838596627.db2.gz CVAHVHDOGIHIFQ-AWEZNQCLSA-N 2 2 310.401 1.980 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267657722 838596634 /nfs/dbraw/zinc/59/66/34/838596634.db2.gz CVAHVHDOGIHIFQ-AWEZNQCLSA-N 2 2 310.401 1.980 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267658664 838597773 /nfs/dbraw/zinc/59/77/73/838597773.db2.gz QZEZNRCYTUAYEV-HNNXBMFYSA-N 2 2 315.417 1.436 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267658664 838597781 /nfs/dbraw/zinc/59/77/81/838597781.db2.gz QZEZNRCYTUAYEV-HNNXBMFYSA-N 2 2 315.417 1.436 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267767013 838911340 /nfs/dbraw/zinc/91/13/40/838911340.db2.gz NDEUMOZJDORESA-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267767013 838911347 /nfs/dbraw/zinc/91/13/47/838911347.db2.gz NDEUMOZJDORESA-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267767013 838911352 /nfs/dbraw/zinc/91/13/52/838911352.db2.gz NDEUMOZJDORESA-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267767013 838911358 /nfs/dbraw/zinc/91/13/58/838911358.db2.gz NDEUMOZJDORESA-HNNXBMFYSA-N 2 2 306.410 1.078 20 30 DDEDLP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267910714 839181474 /nfs/dbraw/zinc/18/14/74/839181474.db2.gz QBZPXGGZJRGUHV-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001268210877 839843376 /nfs/dbraw/zinc/84/33/76/839843376.db2.gz HNVPUTBHTSEVDS-GOEBONIOSA-N 2 2 304.438 1.752 20 30 DDEDLP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268485107 840281956 /nfs/dbraw/zinc/28/19/56/840281956.db2.gz XCMKIBKDPJDVFU-UHFFFAOYSA-N 2 2 317.418 1.524 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001269626755 841870358 /nfs/dbraw/zinc/87/03/58/841870358.db2.gz XSDRPPIWUWEHPP-QGZVFWFLSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001269805238 842062377 /nfs/dbraw/zinc/06/23/77/842062377.db2.gz UVFYVBREUCXYJU-INIZCTEOSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001269861900 842112801 /nfs/dbraw/zinc/11/28/01/842112801.db2.gz OCZDCWBQGCURIA-RDJZCZTQSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001269861900 842112807 /nfs/dbraw/zinc/11/28/07/842112807.db2.gz OCZDCWBQGCURIA-RDJZCZTQSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001269980245 842199512 /nfs/dbraw/zinc/19/95/12/842199512.db2.gz FCWNIJNZUULTFX-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270436742 842574253 /nfs/dbraw/zinc/57/42/53/842574253.db2.gz RTZMGJZIBIAWSQ-CABCVRRESA-N 2 2 304.438 1.754 20 30 DDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001279155809 844788595 /nfs/dbraw/zinc/78/85/95/844788595.db2.gz GFVWBINXBAVSEL-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001279155809 844788599 /nfs/dbraw/zinc/78/85/99/844788599.db2.gz GFVWBINXBAVSEL-GJZGRUSLSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000997093042 847357582 /nfs/dbraw/zinc/35/75/82/847357582.db2.gz LTEHMOZFJDACCX-UHFFFAOYSA-N 2 2 310.401 1.399 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034392184 848427724 /nfs/dbraw/zinc/42/77/24/848427724.db2.gz YELCMURVDMGIKY-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034392184 848427727 /nfs/dbraw/zinc/42/77/27/848427727.db2.gz YELCMURVDMGIKY-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824623 862481689 /nfs/dbraw/zinc/48/16/89/862481689.db2.gz NXGNLGTVYPTEHS-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824623 862481695 /nfs/dbraw/zinc/48/16/95/862481695.db2.gz NXGNLGTVYPTEHS-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849061 858611586 /nfs/dbraw/zinc/61/15/86/858611586.db2.gz UYWGKVKZFIFSSN-DPGVGJJJSA-N 2 2 300.406 1.484 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122284733 858737825 /nfs/dbraw/zinc/73/78/25/858737825.db2.gz DQGBCECQWYNSAG-UHFFFAOYSA-N 2 2 314.433 1.704 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001224692403 881501045 /nfs/dbraw/zinc/50/10/45/881501045.db2.gz REXWJLXZGQTESK-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001326044957 861063641 /nfs/dbraw/zinc/06/36/41/861063641.db2.gz JCHNCBGEUWUXCD-UHFFFAOYSA-N 2 2 316.405 1.553 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001381384254 881641274 /nfs/dbraw/zinc/64/12/74/881641274.db2.gz UAGGCDPDNKAWIB-OLZOCXBDSA-N 2 2 324.856 1.997 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001330431607 864341753 /nfs/dbraw/zinc/34/17/53/864341753.db2.gz UBIPXUGOLLHXFS-DZGCQCFKSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066342 864377106 /nfs/dbraw/zinc/37/71/06/864377106.db2.gz POXMVDGFOQEFRR-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066342 864377116 /nfs/dbraw/zinc/37/71/16/864377116.db2.gz POXMVDGFOQEFRR-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001331202201 864938594 /nfs/dbraw/zinc/93/85/94/864938594.db2.gz DAZNZSOPYZFTIL-RBSFLKMASA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001331202201 864938598 /nfs/dbraw/zinc/93/85/98/864938598.db2.gz DAZNZSOPYZFTIL-RBSFLKMASA-N 2 2 302.422 1.657 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(Cl)c(N)[nH+]1 ZINC001159924524 865599026 /nfs/dbraw/zinc/59/90/26/865599026.db2.gz SDJWFNCSMMFCIE-NSHDSACASA-N 2 2 312.801 1.956 20 30 DDEDLP N#Cc1ccc(OCCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001160283562 865763764 /nfs/dbraw/zinc/76/37/64/865763764.db2.gz UGAVQWZQTAJGEH-UHFFFAOYSA-N 2 2 323.400 1.854 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529328 865914413 /nfs/dbraw/zinc/91/44/13/865914413.db2.gz GZLSOGLZPFTCPY-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160529328 865914420 /nfs/dbraw/zinc/91/44/20/865914420.db2.gz GZLSOGLZPFTCPY-MRXNPFEDSA-N 2 2 314.433 1.770 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001332822261 866167928 /nfs/dbraw/zinc/16/79/28/866167928.db2.gz CAWCRKOIKKWHJC-GDBMZVCRSA-N 2 2 316.449 1.589 20 30 DDEDLP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003163 867928125 /nfs/dbraw/zinc/92/81/25/867928125.db2.gz SKQRLMBDHWOAFT-ZDUSSCGKSA-N 2 2 314.364 1.237 20 30 DDEDLP C=CCNC(=O)c1cccnc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165355320 869543773 /nfs/dbraw/zinc/54/37/73/869543773.db2.gz SYWMKVNIJCAOMV-UHFFFAOYSA-N 2 2 311.389 1.180 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138125 870341553 /nfs/dbraw/zinc/34/15/53/870341553.db2.gz ASKIGFOFPFBPAK-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138125 870341563 /nfs/dbraw/zinc/34/15/63/870341563.db2.gz ASKIGFOFPFBPAK-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138125 870341578 /nfs/dbraw/zinc/34/15/78/870341578.db2.gz ASKIGFOFPFBPAK-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138125 870341590 /nfs/dbraw/zinc/34/15/90/870341590.db2.gz ASKIGFOFPFBPAK-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCOC ZINC001317173073 870415397 /nfs/dbraw/zinc/41/53/97/870415397.db2.gz MSEZQGHJRKBPFU-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCOC ZINC001317173073 870415405 /nfs/dbraw/zinc/41/54/05/870415405.db2.gz MSEZQGHJRKBPFU-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCOC ZINC001317173073 870415411 /nfs/dbraw/zinc/41/54/11/870415411.db2.gz MSEZQGHJRKBPFU-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCOC ZINC001317173073 870415416 /nfs/dbraw/zinc/41/54/16/870415416.db2.gz MSEZQGHJRKBPFU-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530890 870617670 /nfs/dbraw/zinc/61/76/70/870617670.db2.gz LPMIRGNCTGTHEJ-KBPBESRZSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787983 871507082 /nfs/dbraw/zinc/50/70/82/871507082.db2.gz HHUKRFCKNBGIBT-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787983 871507092 /nfs/dbraw/zinc/50/70/92/871507092.db2.gz HHUKRFCKNBGIBT-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679783 871690869 /nfs/dbraw/zinc/69/08/69/871690869.db2.gz PIUYXQZITDDKSC-UHFFFAOYSA-N 2 2 310.401 1.799 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001318978823 872375534 /nfs/dbraw/zinc/37/55/34/872375534.db2.gz JXOOSVLROFMICD-SHTZXODSSA-N 2 2 320.437 1.480 20 30 DDEDLP C#CCN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206722567 872532586 /nfs/dbraw/zinc/53/25/86/872532586.db2.gz OBXFSYCSNKNLII-UHFFFAOYSA-N 2 2 313.445 1.270 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762113 873541394 /nfs/dbraw/zinc/54/13/94/873541394.db2.gz PSQUBFLNAXADLQ-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762113 873541404 /nfs/dbraw/zinc/54/14/04/873541404.db2.gz PSQUBFLNAXADLQ-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC001346276338 873680198 /nfs/dbraw/zinc/68/01/98/873680198.db2.gz ODCKUAQLHDNFFL-OAHLLOKOSA-N 2 2 306.381 1.253 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738203 874429382 /nfs/dbraw/zinc/42/93/82/874429382.db2.gz LCGWKAHBGVZHCQ-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738203 874429389 /nfs/dbraw/zinc/42/93/89/874429389.db2.gz LCGWKAHBGVZHCQ-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348676949 874707916 /nfs/dbraw/zinc/70/79/16/874707916.db2.gz YTQXHIGIGSPMSQ-UHFFFAOYSA-N 2 2 317.437 1.264 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348676949 874707925 /nfs/dbraw/zinc/70/79/25/874707925.db2.gz YTQXHIGIGSPMSQ-UHFFFAOYSA-N 2 2 317.437 1.264 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894712 876497990 /nfs/dbraw/zinc/49/79/90/876497990.db2.gz PJFCWXNIPWFAHO-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894712 876497998 /nfs/dbraw/zinc/49/79/98/876497998.db2.gz PJFCWXNIPWFAHO-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511390 876737934 /nfs/dbraw/zinc/73/79/34/876737934.db2.gz KBEGZKYSWFOHQQ-UMVBOHGHSA-N 2 2 302.422 1.842 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001379587765 877454777 /nfs/dbraw/zinc/45/47/77/877454777.db2.gz OXHROBQZEBBDPP-JTQLQIEISA-N 2 2 317.418 1.488 20 30 DDEDLP N#Cc1nc2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cc2s1 ZINC001218910996 877802253 /nfs/dbraw/zinc/80/22/53/877802253.db2.gz UTSUCPUVNQVJRO-JTQLQIEISA-N 2 2 312.358 1.400 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099252 880249264 /nfs/dbraw/zinc/24/92/64/880249264.db2.gz YDIRQENIJFFISV-ARFHVFGLSA-N 2 2 302.422 1.771 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099252 880249277 /nfs/dbraw/zinc/24/92/77/880249277.db2.gz YDIRQENIJFFISV-ARFHVFGLSA-N 2 2 302.422 1.771 20 30 DDEDLP C=CCOCC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042335 880798410 /nfs/dbraw/zinc/79/84/10/880798410.db2.gz ATOJJRREDQCGRS-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001232676658 886529607 /nfs/dbraw/zinc/52/96/07/886529607.db2.gz PHIWWFZLFLOIPW-DLBZAZTESA-N 2 2 314.433 1.474 20 30 DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1O ZINC001232676658 886529617 /nfs/dbraw/zinc/52/96/17/886529617.db2.gz PHIWWFZLFLOIPW-DLBZAZTESA-N 2 2 314.433 1.474 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278513299 893832216 /nfs/dbraw/zinc/83/22/16/893832216.db2.gz ZMMGDQADUWENCH-KRWDZBQOSA-N 2 2 303.406 1.647 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278608422 894472188 /nfs/dbraw/zinc/47/21/88/894472188.db2.gz LNRZFDHDUSQNEE-LSDHHAIUSA-N 2 2 304.438 1.803 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038852 897930258 /nfs/dbraw/zinc/93/02/58/897930258.db2.gz NVIODNXWALVIPI-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCC#N)CC2)CC1 ZINC001299521013 898276331 /nfs/dbraw/zinc/27/63/31/898276331.db2.gz OAQRRKFJOKGWJH-UHFFFAOYSA-N 2 2 306.454 1.699 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCC#N)CC2)CC1 ZINC001299521013 898276348 /nfs/dbraw/zinc/27/63/48/898276348.db2.gz OAQRRKFJOKGWJH-UHFFFAOYSA-N 2 2 306.454 1.699 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001369555026 901525942 /nfs/dbraw/zinc/52/59/42/901525942.db2.gz ZOQJRCHHPQNJLS-CHWSQXEVSA-N 2 2 317.861 1.190 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001369555026 901525948 /nfs/dbraw/zinc/52/59/48/901525948.db2.gz ZOQJRCHHPQNJLS-CHWSQXEVSA-N 2 2 317.861 1.190 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265167204 901657214 /nfs/dbraw/zinc/65/72/14/901657214.db2.gz HNIYSLXJNZHFNA-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265167204 901657222 /nfs/dbraw/zinc/65/72/22/901657222.db2.gz HNIYSLXJNZHFNA-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167464 901657371 /nfs/dbraw/zinc/65/73/71/901657371.db2.gz PNSCNWOYIUOOHY-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167464 901657379 /nfs/dbraw/zinc/65/73/79/901657379.db2.gz PNSCNWOYIUOOHY-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001280445457 903687205 /nfs/dbraw/zinc/68/72/05/903687205.db2.gz VPLIWSHLQZFECQ-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001284072507 908428516 /nfs/dbraw/zinc/42/85/16/908428516.db2.gz RWTZJPSPUFXSRJ-RDJZCZTQSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001284072507 908428527 /nfs/dbraw/zinc/42/85/27/908428527.db2.gz RWTZJPSPUFXSRJ-RDJZCZTQSA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374076811 911819569 /nfs/dbraw/zinc/81/95/69/911819569.db2.gz KONZKJPQAMENEX-VIFPVBQESA-N 2 2 315.215 1.203 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286473635 911991821 /nfs/dbraw/zinc/99/18/21/911991821.db2.gz VNBSHYWDWMZCOK-OAHLLOKOSA-N 2 2 318.469 1.072 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397630143 916548767 /nfs/dbraw/zinc/54/87/67/916548767.db2.gz PNANILNMUUXVRF-KDYLLFBJSA-N 2 2 323.400 1.439 20 30 DDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N(CCC#N)CCC#N ZINC000337245343 529886539 /nfs/dbraw/zinc/88/65/39/529886539.db2.gz IJNCIZQTEGTIRA-UHFFFAOYSA-N 2 2 305.426 1.060 20 30 DDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N(CCC#N)CCC#N ZINC000337245343 529886540 /nfs/dbraw/zinc/88/65/40/529886540.db2.gz IJNCIZQTEGTIRA-UHFFFAOYSA-N 2 2 305.426 1.060 20 30 DDEDLP CN(C(=O)CC1(C#N)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590242582 355060891 /nfs/dbraw/zinc/06/08/91/355060891.db2.gz VXMIHPHAJBYOMJ-OAHLLOKOSA-N 2 2 304.438 1.307 20 30 DDEDLP CN(C(=O)CC1(C#N)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590242582 355060892 /nfs/dbraw/zinc/06/08/92/355060892.db2.gz VXMIHPHAJBYOMJ-OAHLLOKOSA-N 2 2 304.438 1.307 20 30 DDEDLP N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591664632 355356459 /nfs/dbraw/zinc/35/64/59/355356459.db2.gz MFWXRBILNJRFBK-BBWFWOEESA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000591664632 355356464 /nfs/dbraw/zinc/35/64/64/355356464.db2.gz MFWXRBILNJRFBK-BBWFWOEESA-N 2 2 315.417 1.514 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905866 356699680 /nfs/dbraw/zinc/69/96/80/356699680.db2.gz HYKRWWZPQYFZJP-JKSUJKDBSA-N 2 2 324.469 1.037 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905866 356699681 /nfs/dbraw/zinc/69/96/81/356699681.db2.gz HYKRWWZPQYFZJP-JKSUJKDBSA-N 2 2 324.469 1.037 20 30 DDEDLP N#Cc1ccc(C2([NH2+]C[C@@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000600739851 358303144 /nfs/dbraw/zinc/30/31/44/358303144.db2.gz FYFJORYKBYTASE-INIZCTEOSA-N 2 2 301.390 1.142 20 30 DDEDLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000602046853 358790202 /nfs/dbraw/zinc/79/02/02/358790202.db2.gz NEZWHQSGHDVXIY-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000602046853 358790204 /nfs/dbraw/zinc/79/02/04/358790204.db2.gz NEZWHQSGHDVXIY-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429277 359635646 /nfs/dbraw/zinc/63/56/46/359635646.db2.gz VYWFRAHBWQYXAI-SQNIBIBYSA-N 2 2 320.481 1.455 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC000611372644 360707031 /nfs/dbraw/zinc/70/70/31/360707031.db2.gz JWZZNPBUQBAKHC-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC000611372644 360707035 /nfs/dbraw/zinc/70/70/35/360707035.db2.gz JWZZNPBUQBAKHC-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP COC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271845493 209262366 /nfs/dbraw/zinc/26/23/66/209262366.db2.gz HNTMRYGDTLKRAA-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)C[NH+]1CCOCC1 ZINC000120325211 195143170 /nfs/dbraw/zinc/14/31/70/195143170.db2.gz IGPZACRJAZREQP-CQSZACIVSA-N 2 2 313.405 1.264 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC1 ZINC000098092893 407305676 /nfs/dbraw/zinc/30/56/76/407305676.db2.gz CNMVJZBNIKHICT-UHFFFAOYSA-N 2 2 318.446 1.415 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC1 ZINC000098092893 407305677 /nfs/dbraw/zinc/30/56/77/407305677.db2.gz CNMVJZBNIKHICT-UHFFFAOYSA-N 2 2 318.446 1.415 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129467624 407613455 /nfs/dbraw/zinc/61/34/55/407613455.db2.gz KOPOCIIJKANITA-KKUMJFAQSA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129467624 407613465 /nfs/dbraw/zinc/61/34/65/407613465.db2.gz KOPOCIIJKANITA-KKUMJFAQSA-N 2 2 303.410 1.527 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(Nc3nccnc3C#N)CC2)CC1 ZINC000263715701 408219113 /nfs/dbraw/zinc/21/91/13/408219113.db2.gz AVGSNLBBAXVARP-UHFFFAOYSA-N 2 2 300.410 1.319 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182848326 408266973 /nfs/dbraw/zinc/26/69/73/408266973.db2.gz MPVSKOWSSYMQMK-AWEZNQCLSA-N 2 2 311.393 1.146 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182848326 408266977 /nfs/dbraw/zinc/26/69/77/408266977.db2.gz MPVSKOWSSYMQMK-AWEZNQCLSA-N 2 2 311.393 1.146 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@H+](CC)CCO)cc(OC)c1O ZINC000274411637 408397444 /nfs/dbraw/zinc/39/74/44/408397444.db2.gz OUTVEBYPHFHETC-UHFFFAOYSA-N 2 2 308.422 1.533 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@@H+](CC)CCO)cc(OC)c1O ZINC000274411637 408397447 /nfs/dbraw/zinc/39/74/47/408397447.db2.gz OUTVEBYPHFHETC-UHFFFAOYSA-N 2 2 308.422 1.533 20 30 DDEDLP Cn1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)cc1C#N ZINC000191530269 408440795 /nfs/dbraw/zinc/44/07/95/408440795.db2.gz GGQKMDFGADXGKS-UHFFFAOYSA-N 2 2 310.405 1.656 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285747028 408856201 /nfs/dbraw/zinc/85/62/01/408856201.db2.gz YMQMHSDUTJQVMD-LJQANCHMSA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285747028 408856205 /nfs/dbraw/zinc/85/62/05/408856205.db2.gz YMQMHSDUTJQVMD-LJQANCHMSA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285747028 408856208 /nfs/dbraw/zinc/85/62/08/408856208.db2.gz YMQMHSDUTJQVMD-LJQANCHMSA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285747028 408856211 /nfs/dbraw/zinc/85/62/11/408856211.db2.gz YMQMHSDUTJQVMD-LJQANCHMSA-N 2 2 313.445 1.887 20 30 DDEDLP Cc1cc(C#N)nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000286337335 408967108 /nfs/dbraw/zinc/96/71/08/408967108.db2.gz QQSLJINOSBQIJB-UHFFFAOYSA-N 2 2 314.437 1.627 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106938 409051070 /nfs/dbraw/zinc/05/10/70/409051070.db2.gz YDTWKAXGQIJZMO-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106938 409051073 /nfs/dbraw/zinc/05/10/73/409051073.db2.gz YDTWKAXGQIJZMO-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293106938 409051076 /nfs/dbraw/zinc/05/10/76/409051076.db2.gz YDTWKAXGQIJZMO-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293106938 409051078 /nfs/dbraw/zinc/05/10/78/409051078.db2.gz YDTWKAXGQIJZMO-FUHWJXTLSA-N 2 2 305.466 1.993 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)cc1 ZINC000282483910 409055887 /nfs/dbraw/zinc/05/58/87/409055887.db2.gz TWLUHINNCJSRGA-MRXNPFEDSA-N 2 2 321.421 1.928 20 30 DDEDLP CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000359071706 410552232 /nfs/dbraw/zinc/55/22/32/410552232.db2.gz PRCBADMXWMSXHG-MRXNPFEDSA-N 2 2 314.433 1.796 20 30 DDEDLP CC(C)[C@H](C[NH2+]Cc1nc(C#N)cs1)N1CC[NH+](C)CC1 ZINC000352840574 410681358 /nfs/dbraw/zinc/68/13/58/410681358.db2.gz NVNOQMPDPXNWMU-AWEZNQCLSA-N 2 2 307.467 1.376 20 30 DDEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000353447152 410992454 /nfs/dbraw/zinc/99/24/54/410992454.db2.gz HVMJLCBQFJXMHX-INIZCTEOSA-N 2 2 308.447 1.998 20 30 DDEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000353447152 410992459 /nfs/dbraw/zinc/99/24/59/410992459.db2.gz HVMJLCBQFJXMHX-INIZCTEOSA-N 2 2 308.447 1.998 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188613830 222019363 /nfs/dbraw/zinc/01/93/63/222019363.db2.gz MHCXHSURIIDACO-UHFFFAOYSA-N 2 2 316.405 1.020 20 30 DDEDLP C#CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192162317 222122625 /nfs/dbraw/zinc/12/26/25/222122625.db2.gz VPQLTZSKPTZLKK-SJPCQFCGSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192162317 222122629 /nfs/dbraw/zinc/12/26/29/222122629.db2.gz VPQLTZSKPTZLKK-SJPCQFCGSA-N 2 2 303.450 1.559 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000245559914 222216635 /nfs/dbraw/zinc/21/66/35/222216635.db2.gz IKCFOEHDOHIXKD-GDBMZVCRSA-N 2 2 302.422 1.184 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245559914 222216636 /nfs/dbraw/zinc/21/66/36/222216636.db2.gz IKCFOEHDOHIXKD-GDBMZVCRSA-N 2 2 302.422 1.184 20 30 DDEDLP Cc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252523 228399549 /nfs/dbraw/zinc/39/95/49/228399549.db2.gz ZSDCJIFNKNMJOV-QZTJIDSGSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252523 228399551 /nfs/dbraw/zinc/39/95/51/228399551.db2.gz ZSDCJIFNKNMJOV-QZTJIDSGSA-N 2 2 322.412 1.731 20 30 DDEDLP C=CCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420975211 419395669 /nfs/dbraw/zinc/39/56/69/419395669.db2.gz FKSKAPIZJTZZRN-MRXNPFEDSA-N 2 2 322.497 1.169 20 30 DDEDLP C=CCNC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420975211 419395673 /nfs/dbraw/zinc/39/56/73/419395673.db2.gz FKSKAPIZJTZZRN-MRXNPFEDSA-N 2 2 322.497 1.169 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000530335790 421594511 /nfs/dbraw/zinc/59/45/11/421594511.db2.gz XBJMPYDYBBDGIE-KFWWJZLASA-N 2 2 315.421 1.717 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000530335790 421594514 /nfs/dbraw/zinc/59/45/14/421594514.db2.gz XBJMPYDYBBDGIE-KFWWJZLASA-N 2 2 315.421 1.717 20 30 DDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577178078 422383030 /nfs/dbraw/zinc/38/30/30/422383030.db2.gz FHZIVDJMCOCJBU-MAUKXSAKSA-N 2 2 312.417 1.439 20 30 DDEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577178078 422383034 /nfs/dbraw/zinc/38/30/34/422383034.db2.gz FHZIVDJMCOCJBU-MAUKXSAKSA-N 2 2 312.417 1.439 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655807 424740906 /nfs/dbraw/zinc/74/09/06/424740906.db2.gz QBSNYTCURCAMMN-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655807 424740908 /nfs/dbraw/zinc/74/09/08/424740908.db2.gz QBSNYTCURCAMMN-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655807 424740910 /nfs/dbraw/zinc/74/09/10/424740910.db2.gz QBSNYTCURCAMMN-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655807 424740912 /nfs/dbraw/zinc/74/09/12/424740912.db2.gz QBSNYTCURCAMMN-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833774 424782503 /nfs/dbraw/zinc/78/25/03/424782503.db2.gz QPIXKOSVFUSLQD-LJIGWXMPSA-N 2 2 309.454 1.299 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833774 424782506 /nfs/dbraw/zinc/78/25/06/424782506.db2.gz QPIXKOSVFUSLQD-LJIGWXMPSA-N 2 2 309.454 1.299 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143067 277186097 /nfs/dbraw/zinc/18/60/97/277186097.db2.gz MSKJNMWKRBSYJW-HKUYNNGSSA-N 2 2 324.428 1.691 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143067 277186098 /nfs/dbraw/zinc/18/60/98/277186098.db2.gz MSKJNMWKRBSYJW-HKUYNNGSSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143067 277186099 /nfs/dbraw/zinc/18/60/99/277186099.db2.gz MSKJNMWKRBSYJW-HKUYNNGSSA-N 2 2 324.428 1.691 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292143067 277186100 /nfs/dbraw/zinc/18/61/00/277186100.db2.gz MSKJNMWKRBSYJW-HKUYNNGSSA-N 2 2 324.428 1.691 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCSCC1 ZINC000104178271 295005201 /nfs/dbraw/zinc/00/52/01/295005201.db2.gz HVRDRWPWBBUVFA-UHFFFAOYSA-N 2 2 310.492 1.470 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCSCC1 ZINC000104178271 295005203 /nfs/dbraw/zinc/00/52/03/295005203.db2.gz HVRDRWPWBBUVFA-UHFFFAOYSA-N 2 2 310.492 1.470 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000577482296 308391123 /nfs/dbraw/zinc/39/11/23/308391123.db2.gz RBGUMYKQRZIRCB-KBRIMQKVSA-N 2 2 312.417 1.784 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131902889 341113291 /nfs/dbraw/zinc/11/32/91/341113291.db2.gz PRYGISOEEUPHMQ-INIZCTEOSA-N 2 2 301.390 1.735 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131902889 341113292 /nfs/dbraw/zinc/11/32/92/341113292.db2.gz PRYGISOEEUPHMQ-INIZCTEOSA-N 2 2 301.390 1.735 20 30 DDEDLP C#CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247077782 341360703 /nfs/dbraw/zinc/36/07/03/341360703.db2.gz VWRTUQYXEJUDEL-DLBZAZTESA-N 2 2 320.481 1.598 20 30 DDEDLP C#CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247077782 341360704 /nfs/dbraw/zinc/36/07/04/341360704.db2.gz VWRTUQYXEJUDEL-DLBZAZTESA-N 2 2 320.481 1.598 20 30 DDEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656154163 483979928 /nfs/dbraw/zinc/97/99/28/483979928.db2.gz PKKFRURSYVZWEH-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656154163 483979938 /nfs/dbraw/zinc/97/99/38/483979938.db2.gz PKKFRURSYVZWEH-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000494872085 526432254 /nfs/dbraw/zinc/43/22/54/526432254.db2.gz FBALNUAZFHRCKD-MRXNPFEDSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000494872085 526432256 /nfs/dbraw/zinc/43/22/56/526432256.db2.gz FBALNUAZFHRCKD-MRXNPFEDSA-N 2 2 324.469 1.047 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000491506884 526932158 /nfs/dbraw/zinc/93/21/58/526932158.db2.gz RVOJILBSWRIJJN-HNNXBMFYSA-N 2 2 300.406 1.333 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490761680 526950699 /nfs/dbraw/zinc/95/06/99/526950699.db2.gz VROAZUTZOMMNMA-VQIMIIECSA-N 2 2 311.429 1.457 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490761680 526950702 /nfs/dbraw/zinc/95/07/02/526950702.db2.gz VROAZUTZOMMNMA-VQIMIIECSA-N 2 2 311.429 1.457 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329862633 529019376 /nfs/dbraw/zinc/01/93/76/529019376.db2.gz YQGHDFJKLMYEIE-CQSZACIVSA-N 2 2 305.426 1.733 20 30 DDEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329862633 529019380 /nfs/dbraw/zinc/01/93/80/529019380.db2.gz YQGHDFJKLMYEIE-CQSZACIVSA-N 2 2 305.426 1.733 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980220537 696711599 /nfs/dbraw/zinc/71/15/99/696711599.db2.gz VLBDMYSJYMUJNJ-ZNMIVQPWSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980220537 696711600 /nfs/dbraw/zinc/71/16/00/696711600.db2.gz VLBDMYSJYMUJNJ-ZNMIVQPWSA-N 2 2 302.422 1.663 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747983 695724950 /nfs/dbraw/zinc/72/49/50/695724950.db2.gz CLLZUTNQOVQHJD-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747983 695724952 /nfs/dbraw/zinc/72/49/52/695724952.db2.gz CLLZUTNQOVQHJD-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974767585 695729935 /nfs/dbraw/zinc/72/99/35/695729935.db2.gz OWGJXAVFXWYSMR-AWEZNQCLSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974767585 695729938 /nfs/dbraw/zinc/72/99/38/695729938.db2.gz OWGJXAVFXWYSMR-AWEZNQCLSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981806082 696923629 /nfs/dbraw/zinc/92/36/29/696923629.db2.gz HQLWHQAKTSVMMM-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981806082 696923632 /nfs/dbraw/zinc/92/36/32/696923632.db2.gz HQLWHQAKTSVMMM-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981806082 696923634 /nfs/dbraw/zinc/92/36/34/696923634.db2.gz HQLWHQAKTSVMMM-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981806082 696923635 /nfs/dbraw/zinc/92/36/35/696923635.db2.gz HQLWHQAKTSVMMM-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852249 697185281 /nfs/dbraw/zinc/18/52/81/697185281.db2.gz WAPIEUXHWUWGBY-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852249 697185283 /nfs/dbraw/zinc/18/52/83/697185283.db2.gz WAPIEUXHWUWGBY-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCOCC1 ZINC000303778025 698606290 /nfs/dbraw/zinc/60/62/90/698606290.db2.gz JGNVFSHNOLUUGL-ZFWWWQNUSA-N 2 2 314.474 1.063 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991117625 699238688 /nfs/dbraw/zinc/23/86/88/699238688.db2.gz LMQUHMGMZCMMQN-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991117625 699238691 /nfs/dbraw/zinc/23/86/91/699238691.db2.gz LMQUHMGMZCMMQN-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991117625 699238695 /nfs/dbraw/zinc/23/86/95/699238695.db2.gz LMQUHMGMZCMMQN-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991117625 699238696 /nfs/dbraw/zinc/23/86/96/699238696.db2.gz LMQUHMGMZCMMQN-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP CN(C)c1cc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000867958801 701854057 /nfs/dbraw/zinc/85/40/57/701854057.db2.gz XMXGCPJSRHXQMQ-QGZVFWFLSA-N 2 2 321.384 1.845 20 30 DDEDLP C=C(C)CNC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565406 702412013 /nfs/dbraw/zinc/41/20/13/702412013.db2.gz DDRIVSLUPRZSTQ-UHFFFAOYSA-N 2 2 324.538 1.929 20 30 DDEDLP C=C(C)CNC(=S)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817565406 702412016 /nfs/dbraw/zinc/41/20/16/702412016.db2.gz DDRIVSLUPRZSTQ-UHFFFAOYSA-N 2 2 324.538 1.929 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)o3)C2)CC1 ZINC000814114821 702480769 /nfs/dbraw/zinc/48/07/69/702480769.db2.gz SQBLPXJEEVRSFI-LBPRGKRZSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)o3)C2)CC1 ZINC000814114821 702480774 /nfs/dbraw/zinc/48/07/74/702480774.db2.gz SQBLPXJEEVRSFI-LBPRGKRZSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000879590391 706730004 /nfs/dbraw/zinc/73/00/04/706730004.db2.gz AWQJAAWIPZZKKU-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879590500 706730130 /nfs/dbraw/zinc/73/01/30/706730130.db2.gz FSERJASOTPTWEC-UHFFFAOYSA-N 2 2 313.380 1.796 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000848557621 703562841 /nfs/dbraw/zinc/56/28/41/703562841.db2.gz KOUKDZBTBXCWMK-UHFFFAOYSA-N 2 2 302.418 1.635 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412208 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RVMJOQWBQNGJFC-MRXNPFEDSA-N 2 2 322.412 1.587 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049050968 770294987 /nfs/dbraw/zinc/29/49/87/770294987.db2.gz AOOYJUCWTALWCL-ZNMIVQPWSA-N 2 2 312.417 1.243 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049050968 770294992 /nfs/dbraw/zinc/29/49/92/770294992.db2.gz AOOYJUCWTALWCL-ZNMIVQPWSA-N 2 2 312.417 1.243 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996964 770407333 /nfs/dbraw/zinc/40/73/33/770407333.db2.gz WBKDGSKHMGDQOJ-KGLIPLIRSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996964 770407336 /nfs/dbraw/zinc/40/73/36/770407336.db2.gz WBKDGSKHMGDQOJ-KGLIPLIRSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084616 770525676 /nfs/dbraw/zinc/52/56/76/770525676.db2.gz FRHUUTMQQMNLMA-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084616 770525681 /nfs/dbraw/zinc/52/56/81/770525681.db2.gz FRHUUTMQQMNLMA-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449114 770850990 /nfs/dbraw/zinc/85/09/90/770850990.db2.gz WZSXDCGLANKTPW-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449114 770851000 /nfs/dbraw/zinc/85/10/00/770851000.db2.gz WZSXDCGLANKTPW-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001049529404 770982606 /nfs/dbraw/zinc/98/26/06/770982606.db2.gz MBNCXNGTARSUOR-BZSNNMDCSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=C)C ZINC001049529404 770982612 /nfs/dbraw/zinc/98/26/12/770982612.db2.gz MBNCXNGTARSUOR-BZSNNMDCSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(=C)C ZINC001049529404 770982616 /nfs/dbraw/zinc/98/26/16/770982616.db2.gz MBNCXNGTARSUOR-BZSNNMDCSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(=C)C ZINC001049529404 770982623 /nfs/dbraw/zinc/98/26/23/770982623.db2.gz MBNCXNGTARSUOR-BZSNNMDCSA-N 2 2 315.461 1.725 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782773 771156397 /nfs/dbraw/zinc/15/63/97/771156397.db2.gz QERYCKNPQKSUSP-USXIJHARSA-N 2 2 314.433 1.677 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049782773 771156399 /nfs/dbraw/zinc/15/63/99/771156399.db2.gz QERYCKNPQKSUSP-USXIJHARSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049786024 771157808 /nfs/dbraw/zinc/15/78/08/771157808.db2.gz ZZLJENPAPALGOG-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049786024 771157809 /nfs/dbraw/zinc/15/78/09/771157809.db2.gz ZZLJENPAPALGOG-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049786024 771157811 /nfs/dbraw/zinc/15/78/11/771157811.db2.gz ZZLJENPAPALGOG-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049786024 771157814 /nfs/dbraw/zinc/15/78/14/771157814.db2.gz ZZLJENPAPALGOG-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135079937 771315878 /nfs/dbraw/zinc/31/58/78/771315878.db2.gz HRJZCTYVHZBNNK-CYBMUJFWSA-N 2 2 311.389 1.366 20 30 DDEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135079937 771315882 /nfs/dbraw/zinc/31/58/82/771315882.db2.gz HRJZCTYVHZBNNK-CYBMUJFWSA-N 2 2 311.389 1.366 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737592 771539566 /nfs/dbraw/zinc/53/95/66/771539566.db2.gz QNXUIGNZSZCEKP-SOUVJXGZSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840455 771746414 /nfs/dbraw/zinc/74/64/14/771746414.db2.gz JAYPRUGNFQVNSI-LSDHHAIUSA-N 2 2 310.401 1.992 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001086913511 773714830 /nfs/dbraw/zinc/71/48/30/773714830.db2.gz RFUQESPHHSPUKT-CVEARBPZSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001086913511 773714837 /nfs/dbraw/zinc/71/48/37/773714837.db2.gz RFUQESPHHSPUKT-CVEARBPZSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199890 774001544 /nfs/dbraw/zinc/00/15/44/774001544.db2.gz UGOLBPRNOLKAIA-PBHICJAKSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199890 774001550 /nfs/dbraw/zinc/00/15/50/774001550.db2.gz UGOLBPRNOLKAIA-PBHICJAKSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092232371 774020662 /nfs/dbraw/zinc/02/06/62/774020662.db2.gz JREDZDOAFOLHLT-PBHICJAKSA-N 2 2 302.422 1.617 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092232371 774020667 /nfs/dbraw/zinc/02/06/67/774020667.db2.gz JREDZDOAFOLHLT-PBHICJAKSA-N 2 2 302.422 1.617 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001074717199 774082378 /nfs/dbraw/zinc/08/23/78/774082378.db2.gz ABIWXJNDYOVOAN-GUTXKFCHSA-N 2 2 322.840 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771919 774562558 /nfs/dbraw/zinc/56/25/58/774562558.db2.gz ORULIWOUFURKQO-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771919 774562561 /nfs/dbraw/zinc/56/25/61/774562561.db2.gz ORULIWOUFURKQO-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778782 774593881 /nfs/dbraw/zinc/59/38/81/774593881.db2.gz ZCXMSDLGCNSRPO-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778782 774593884 /nfs/dbraw/zinc/59/38/84/774593884.db2.gz ZCXMSDLGCNSRPO-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908615 774716232 /nfs/dbraw/zinc/71/62/32/774716232.db2.gz FLKQYICISWTALY-VKJFTORMSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908615 774716234 /nfs/dbraw/zinc/71/62/34/774716234.db2.gz FLKQYICISWTALY-VKJFTORMSA-N 2 2 314.433 1.602 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001093546126 774821681 /nfs/dbraw/zinc/82/16/81/774821681.db2.gz HIOHPKKDAZDRFQ-QGZVFWFLSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120759 774849398 /nfs/dbraw/zinc/84/93/98/774849398.db2.gz INDRUYWQYMKHPD-YOEHRIQHSA-N 2 2 302.422 1.509 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120759 774849406 /nfs/dbraw/zinc/84/94/06/774849406.db2.gz INDRUYWQYMKHPD-YOEHRIQHSA-N 2 2 302.422 1.509 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036850873 774937016 /nfs/dbraw/zinc/93/70/16/774937016.db2.gz DIUXXRSXVIDBNY-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036850873 774937020 /nfs/dbraw/zinc/93/70/20/774937020.db2.gz DIUXXRSXVIDBNY-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036881893 775947440 /nfs/dbraw/zinc/94/74/40/775947440.db2.gz CEEMQFCCYWASKM-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036881893 775947449 /nfs/dbraw/zinc/94/74/49/775947449.db2.gz CEEMQFCCYWASKM-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476594 776312789 /nfs/dbraw/zinc/31/27/89/776312789.db2.gz WVLDXWUKLNFJGG-CQSZACIVSA-N 2 2 304.438 1.824 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605099 776367877 /nfs/dbraw/zinc/36/78/77/776367877.db2.gz MVMIZRQWGYIVTB-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302937 776743597 /nfs/dbraw/zinc/74/35/97/776743597.db2.gz SYFNPGUBBYMQKU-XJKSGUPXSA-N 2 2 303.406 1.749 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101044563 776854777 /nfs/dbraw/zinc/85/47/77/776854777.db2.gz CVLMDDDJMJRLJA-BDVYOWHSSA-N 2 2 316.449 1.745 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039178 777017570 /nfs/dbraw/zinc/01/75/70/777017570.db2.gz LVEJSEUVXJGCSE-MJBXVCDLSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205356 777935125 /nfs/dbraw/zinc/93/51/25/777935125.db2.gz YEVKXTGEVIJHIZ-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205356 777935128 /nfs/dbraw/zinc/93/51/28/777935128.db2.gz YEVKXTGEVIJHIZ-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001177138103 778457402 /nfs/dbraw/zinc/45/74/02/778457402.db2.gz IKXGLQRKQHNLDS-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001177138103 778457405 /nfs/dbraw/zinc/45/74/05/778457405.db2.gz IKXGLQRKQHNLDS-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177138103 778457406 /nfs/dbraw/zinc/45/74/06/778457406.db2.gz IKXGLQRKQHNLDS-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177138103 778457412 /nfs/dbraw/zinc/45/74/12/778457412.db2.gz IKXGLQRKQHNLDS-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009814 779260819 /nfs/dbraw/zinc/26/08/19/779260819.db2.gz RMCGHHJIDILYBL-ZOBUZTSGSA-N 2 2 316.449 1.991 20 30 DDEDLP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267212094 837541260 /nfs/dbraw/zinc/54/12/60/837541260.db2.gz XFFKPTGTRKMTTH-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267212094 837541265 /nfs/dbraw/zinc/54/12/65/837541265.db2.gz XFFKPTGTRKMTTH-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267212094 837541272 /nfs/dbraw/zinc/54/12/72/837541272.db2.gz XFFKPTGTRKMTTH-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267212094 837541279 /nfs/dbraw/zinc/54/12/79/837541279.db2.gz XFFKPTGTRKMTTH-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267682570 838635191 /nfs/dbraw/zinc/63/51/91/838635191.db2.gz BSYYANFJZUWGMZ-UHFFFAOYSA-N 2 2 316.449 1.776 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267896142 839149597 /nfs/dbraw/zinc/14/95/97/839149597.db2.gz AKRFULNKWAKDMQ-JKSUJKDBSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267896142 839149603 /nfs/dbraw/zinc/14/96/03/839149603.db2.gz AKRFULNKWAKDMQ-JKSUJKDBSA-N 2 2 316.449 1.830 20 30 DDEDLP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001269747288 842005719 /nfs/dbraw/zinc/00/57/19/842005719.db2.gz RVFSLKNLCCBASU-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001269877625 842122812 /nfs/dbraw/zinc/12/28/12/842122812.db2.gz QNIRVKCQDLQWLP-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001270744282 842866371 /nfs/dbraw/zinc/86/63/71/842866371.db2.gz KKZWVDOPOAZISQ-SFHVURJKSA-N 2 2 316.449 1.778 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267044 848208237 /nfs/dbraw/zinc/20/82/37/848208237.db2.gz SDEJLNGTDBYUIB-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267044 848208245 /nfs/dbraw/zinc/20/82/45/848208245.db2.gz SDEJLNGTDBYUIB-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034283818 848251473 /nfs/dbraw/zinc/25/14/73/848251473.db2.gz XOSTVERKWNPRBD-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034283818 848251483 /nfs/dbraw/zinc/25/14/83/848251483.db2.gz XOSTVERKWNPRBD-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155374543 862007053 /nfs/dbraw/zinc/00/70/53/862007053.db2.gz ZNBHMOYXTVMZPS-GFCCVEGCSA-N 2 2 305.813 1.466 20 30 DDEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380744 862206396 /nfs/dbraw/zinc/20/63/96/862206396.db2.gz YVJWOTGJTCHNLH-JKSUJKDBSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380744 862206402 /nfs/dbraw/zinc/20/64/02/862206402.db2.gz YVJWOTGJTCHNLH-JKSUJKDBSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380742 862206837 /nfs/dbraw/zinc/20/68/37/862206837.db2.gz YVJWOTGJTCHNLH-HOTGVXAUSA-N 2 2 318.421 1.065 20 30 DDEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380742 862206841 /nfs/dbraw/zinc/20/68/41/862206841.db2.gz YVJWOTGJTCHNLH-HOTGVXAUSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150664862 862403154 /nfs/dbraw/zinc/40/31/54/862403154.db2.gz ZKTGHFYQHSQFCJ-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150664862 862403156 /nfs/dbraw/zinc/40/31/56/862403156.db2.gz ZKTGHFYQHSQFCJ-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP COc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(F)cc1C#N ZINC001156184827 862787569 /nfs/dbraw/zinc/78/75/69/862787569.db2.gz FCNMYWYLUSGXKJ-UHFFFAOYSA-N 2 2 321.400 1.539 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001328266083 862843578 /nfs/dbraw/zinc/84/35/78/862843578.db2.gz GPRQYLLFGXTBPW-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001328266083 862843596 /nfs/dbraw/zinc/84/35/96/862843596.db2.gz GPRQYLLFGXTBPW-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335861 862945579 /nfs/dbraw/zinc/94/55/79/862945579.db2.gz QEAUXFXPTJRQEE-CQSZACIVSA-N 2 2 313.405 1.894 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001156335861 862945586 /nfs/dbraw/zinc/94/55/86/862945586.db2.gz QEAUXFXPTJRQEE-CQSZACIVSA-N 2 2 313.405 1.894 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972379 857953771 /nfs/dbraw/zinc/95/37/71/857953771.db2.gz XSCFYXXIKQTGNS-CQSZACIVSA-N 2 2 312.417 1.387 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972379 857953773 /nfs/dbraw/zinc/95/37/73/857953773.db2.gz XSCFYXXIKQTGNS-CQSZACIVSA-N 2 2 312.417 1.387 20 30 DDEDLP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329888229 863921605 /nfs/dbraw/zinc/92/16/05/863921605.db2.gz TXSXFDWPFWRUOU-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP Cc1nc(Cl)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158263069 864526154 /nfs/dbraw/zinc/52/61/54/864526154.db2.gz XXCQPGBOCUOASR-LLVKDONJSA-N 2 2 320.828 1.312 20 30 DDEDLP Cc1nc(Cl)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158263069 864526157 /nfs/dbraw/zinc/52/61/57/864526157.db2.gz XXCQPGBOCUOASR-LLVKDONJSA-N 2 2 320.828 1.312 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001331224433 864952625 /nfs/dbraw/zinc/95/26/25/864952625.db2.gz SPWYFDPUMBXZLR-GOEBONIOSA-N 2 2 304.438 1.732 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001331224433 864952631 /nfs/dbraw/zinc/95/26/31/864952631.db2.gz SPWYFDPUMBXZLR-GOEBONIOSA-N 2 2 304.438 1.732 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331333158 865015966 /nfs/dbraw/zinc/01/59/66/865015966.db2.gz KUGBYKWXDGVMPP-CZUORRHYSA-N 2 2 302.422 1.438 20 30 DDEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331333158 865015978 /nfs/dbraw/zinc/01/59/78/865015978.db2.gz KUGBYKWXDGVMPP-CZUORRHYSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530140 865915473 /nfs/dbraw/zinc/91/54/73/865915473.db2.gz WWWPWNJXOLKQFH-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001160530140 865915479 /nfs/dbraw/zinc/91/54/79/865915479.db2.gz WWWPWNJXOLKQFH-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847292 866338824 /nfs/dbraw/zinc/33/88/24/866338824.db2.gz HDLJBOFUFOLBRN-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847292 866338839 /nfs/dbraw/zinc/33/88/39/866338839.db2.gz HDLJBOFUFOLBRN-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679780 870709655 /nfs/dbraw/zinc/70/96/55/870709655.db2.gz ZLBOQXNHOQXZLD-LSDHHAIUSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+](CC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001317478419 870893943 /nfs/dbraw/zinc/89/39/43/870893943.db2.gz JRVOERYZSUPFJZ-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[N@@H+](CC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001317478419 870893959 /nfs/dbraw/zinc/89/39/59/870893959.db2.gz JRVOERYZSUPFJZ-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[NH+](CC)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001317478419 870893971 /nfs/dbraw/zinc/89/39/71/870893971.db2.gz JRVOERYZSUPFJZ-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCC[NH+](CC)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001317478419 870893985 /nfs/dbraw/zinc/89/39/85/870893985.db2.gz JRVOERYZSUPFJZ-MRXNPFEDSA-N 2 2 319.453 1.804 20 30 DDEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340390786 871075761 /nfs/dbraw/zinc/07/57/61/871075761.db2.gz SZDRNRIPDQZLRH-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340390786 871075772 /nfs/dbraw/zinc/07/57/72/871075772.db2.gz SZDRNRIPDQZLRH-HNNXBMFYSA-N 2 2 318.469 1.763 20 30 DDEDLP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001317674462 871381091 /nfs/dbraw/zinc/38/10/91/871381091.db2.gz IXZDKDPJFNNNNQ-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317675301 871381904 /nfs/dbraw/zinc/38/19/04/871381904.db2.gz LXRBNRFXDRKRGN-CQSZACIVSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555715 871627590 /nfs/dbraw/zinc/62/75/90/871627590.db2.gz DWZOUVOIIYRNGT-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205556328 871627837 /nfs/dbraw/zinc/62/78/37/871627837.db2.gz PXOYOQAYAFIVON-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317529957 871742688 /nfs/dbraw/zinc/74/26/88/871742688.db2.gz YYALPMURKTVJLD-OAHLLOKOSA-N 2 2 304.438 1.941 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317529957 871742713 /nfs/dbraw/zinc/74/27/13/871742713.db2.gz YYALPMURKTVJLD-OAHLLOKOSA-N 2 2 304.438 1.941 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453377 874158454 /nfs/dbraw/zinc/15/84/54/874158454.db2.gz FYWYOPXCEQITSU-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOC(=O)N1CCC2(C[NH+](Cc3c[nH+]ccc3N)C2)CC1 ZINC001209728971 875083035 /nfs/dbraw/zinc/08/30/35/875083035.db2.gz YCMNGYOMSUNKSV-UHFFFAOYSA-N 2 2 316.405 1.715 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791128 877612203 /nfs/dbraw/zinc/61/22/03/877612203.db2.gz SWGUYKDJGUQHFC-CABCVRRESA-N 2 2 306.410 1.055 20 30 DDEDLP N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)n2)s1 ZINC001218788344 877725899 /nfs/dbraw/zinc/72/58/99/877725899.db2.gz SXUBFHUSDBJPRS-CBAPKCEASA-N 2 2 319.415 1.371 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001367631397 897289986 /nfs/dbraw/zinc/28/99/86/897289986.db2.gz DQYITEWQKVKOHL-UONOGXRCSA-N 2 2 324.856 1.980 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264125345 900960088 /nfs/dbraw/zinc/96/00/88/900960088.db2.gz IBKZMEMXMYMZSR-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102063 902947435 /nfs/dbraw/zinc/94/74/35/902947435.db2.gz BRYSQGRHDNQMPH-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102063 902947457 /nfs/dbraw/zinc/94/74/57/902947457.db2.gz BRYSQGRHDNQMPH-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392513551 904324395 /nfs/dbraw/zinc/32/43/95/904324395.db2.gz OWNCYPLIRMQIQN-LLVKDONJSA-N 2 2 315.352 1.257 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccsc1 ZINC001282403193 905751736 /nfs/dbraw/zinc/75/17/36/905751736.db2.gz TXSPLMUJQJWUFI-ZBFHGGJFSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccsc1 ZINC001282403193 905751742 /nfs/dbraw/zinc/75/17/42/905751742.db2.gz TXSPLMUJQJWUFI-ZBFHGGJFSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC001282403193 905751752 /nfs/dbraw/zinc/75/17/52/905751752.db2.gz TXSPLMUJQJWUFI-ZBFHGGJFSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001282403193 905751761 /nfs/dbraw/zinc/75/17/61/905751761.db2.gz TXSPLMUJQJWUFI-ZBFHGGJFSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001282557875 905867731 /nfs/dbraw/zinc/86/77/31/905867731.db2.gz JXGYQVOKQWEUTJ-BZUAXINKSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001282557875 905867742 /nfs/dbraw/zinc/86/77/42/905867742.db2.gz JXGYQVOKQWEUTJ-BZUAXINKSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001282643892 905914834 /nfs/dbraw/zinc/91/48/34/905914834.db2.gz UQIRNWFKXILZBY-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001283103573 906634312 /nfs/dbraw/zinc/63/43/12/906634312.db2.gz QXKHTUBGRQNDFC-SHTZXODSSA-N 2 2 304.438 1.803 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566087 910007520 /nfs/dbraw/zinc/00/75/20/910007520.db2.gz IPCZPMFSMCUFDL-LLVKDONJSA-N 2 2 315.215 1.228 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001373673067 910576630 /nfs/dbraw/zinc/57/66/30/910576630.db2.gz NOCKSNQPZUOCOG-UONOGXRCSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001373673067 910576644 /nfs/dbraw/zinc/57/66/44/910576644.db2.gz NOCKSNQPZUOCOG-UONOGXRCSA-N 2 2 319.852 1.952 20 30 DDEDLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001373800354 911036090 /nfs/dbraw/zinc/03/60/90/911036090.db2.gz JKOJKEDAGGAZCJ-OAHLLOKOSA-N 2 2 311.389 1.508 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001375762749 916895925 /nfs/dbraw/zinc/89/59/25/916895925.db2.gz RSNUZJXUCQEJBK-MGPQQGTHSA-N 2 2 322.840 1.857 20 30 DDEDLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328658090 539298285 /nfs/dbraw/zinc/29/82/85/539298285.db2.gz QKBUWLNGYJABEX-CABCVRRESA-N 2 2 313.405 1.965 20 30 DDEDLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328658090 539298286 /nfs/dbraw/zinc/29/82/86/539298286.db2.gz QKBUWLNGYJABEX-CABCVRRESA-N 2 2 313.405 1.965 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[N@H+](C)C1 ZINC000328895663 539299394 /nfs/dbraw/zinc/29/93/94/539299394.db2.gz BNBXECNKCRBESC-KBPBESRZSA-N 2 2 306.410 1.438 20 30 DDEDLP CO[C@H]1C[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)[N@@H+](C)C1 ZINC000328895663 539299395 /nfs/dbraw/zinc/29/93/95/539299395.db2.gz BNBXECNKCRBESC-KBPBESRZSA-N 2 2 306.410 1.438 20 30 DDEDLP C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000092806118 185342363 /nfs/dbraw/zinc/34/23/63/185342363.db2.gz LDDUIFIJBKBJSS-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP C[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000092806118 185342364 /nfs/dbraw/zinc/34/23/64/185342364.db2.gz LDDUIFIJBKBJSS-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP CC(C)NC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181416405 199294295 /nfs/dbraw/zinc/29/42/95/199294295.db2.gz TYDKSJFHFQRYIQ-UHFFFAOYSA-N 2 2 314.433 1.637 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000070923672 353186347 /nfs/dbraw/zinc/18/63/47/353186347.db2.gz NFRXJMKHLCMMCG-UHFFFAOYSA-N 2 2 312.417 1.298 20 30 DDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000578186752 354704740 /nfs/dbraw/zinc/70/47/40/354704740.db2.gz BAZNWNQCSYYAKF-KRWDZBQOSA-N 2 2 313.405 1.168 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000596611428 356932422 /nfs/dbraw/zinc/93/24/22/356932422.db2.gz DYWUPENJQAIBRV-GJZGRUSLSA-N 2 2 309.458 1.251 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000596611428 356932425 /nfs/dbraw/zinc/93/24/25/356932425.db2.gz DYWUPENJQAIBRV-GJZGRUSLSA-N 2 2 309.458 1.251 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCSC1 ZINC000329606056 223001206 /nfs/dbraw/zinc/00/12/06/223001206.db2.gz MIKHESULLWITKT-AWEZNQCLSA-N 2 2 309.439 1.050 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000600732432 358299967 /nfs/dbraw/zinc/29/99/67/358299967.db2.gz ZJXNUQCUYDDOAD-HNNXBMFYSA-N 2 2 314.389 1.495 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258336 360278696 /nfs/dbraw/zinc/27/86/96/360278696.db2.gz SVXHQGUGHFADQY-OAHLLOKOSA-N 2 2 315.421 1.863 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258336 360278698 /nfs/dbraw/zinc/27/86/98/360278698.db2.gz SVXHQGUGHFADQY-OAHLLOKOSA-N 2 2 315.421 1.863 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992733 360593804 /nfs/dbraw/zinc/59/38/04/360593804.db2.gz GGEVUXWBFAYCTN-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992733 360593805 /nfs/dbraw/zinc/59/38/05/360593805.db2.gz GGEVUXWBFAYCTN-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C=C(Cl)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269235186 207362065 /nfs/dbraw/zinc/36/20/65/207362065.db2.gz VZTRJWCZZPTIER-HNNXBMFYSA-N 2 2 318.808 1.670 20 30 DDEDLP CN(C)C(=[NH+]Cc1cccc(C[NH+]2CCOCC2)c1)N(C)C ZINC000104164637 407348567 /nfs/dbraw/zinc/34/85/67/407348567.db2.gz RBORSTUZHBAQFK-UHFFFAOYSA-N 2 2 304.438 1.498 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161456814 408605947 /nfs/dbraw/zinc/60/59/47/408605947.db2.gz WLXCGYCNCMWXKH-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000328808618 409982970 /nfs/dbraw/zinc/98/29/70/409982970.db2.gz IOMKCJYAGXTULG-AWEZNQCLSA-N 2 2 319.453 1.998 20 30 DDEDLP C[NH+](C[C@@H](O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000351967025 410379986 /nfs/dbraw/zinc/37/99/86/410379986.db2.gz HIGFIVBIUVHTBO-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000351967025 410379993 /nfs/dbraw/zinc/37/99/93/410379993.db2.gz HIGFIVBIUVHTBO-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](CCOCc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351967025 410380001 /nfs/dbraw/zinc/38/00/01/410380001.db2.gz HIGFIVBIUVHTBO-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP C[NH+](CCOCc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351967025 410380007 /nfs/dbraw/zinc/38/00/07/410380007.db2.gz HIGFIVBIUVHTBO-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000344238483 411045723 /nfs/dbraw/zinc/04/57/23/411045723.db2.gz JRHPCDHLMOWMOW-UHFFFAOYSA-N 2 2 320.462 1.652 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000374061400 418485980 /nfs/dbraw/zinc/48/59/80/418485980.db2.gz MYRKUOVIKLOAIJ-MRXNPFEDSA-N 2 2 314.433 1.769 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000374061400 418485982 /nfs/dbraw/zinc/48/59/82/418485982.db2.gz MYRKUOVIKLOAIJ-MRXNPFEDSA-N 2 2 314.433 1.769 20 30 DDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000263278397 222307713 /nfs/dbraw/zinc/30/77/13/222307713.db2.gz ZFOGDVBFYDNDQR-BETUJISGSA-N 2 2 314.499 1.238 20 30 DDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000263278397 222307715 /nfs/dbraw/zinc/30/77/15/222307715.db2.gz ZFOGDVBFYDNDQR-BETUJISGSA-N 2 2 314.499 1.238 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000375607667 418661101 /nfs/dbraw/zinc/66/11/01/418661101.db2.gz NLKOAEDTOSKXKJ-TWMKSMIVSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1=O ZINC000375607667 418661104 /nfs/dbraw/zinc/66/11/04/418661104.db2.gz NLKOAEDTOSKXKJ-TWMKSMIVSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000368537898 418721044 /nfs/dbraw/zinc/72/10/44/418721044.db2.gz JTDNABKCLWZOTH-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000368537898 418721046 /nfs/dbraw/zinc/72/10/46/418721046.db2.gz JTDNABKCLWZOTH-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000370231490 418742365 /nfs/dbraw/zinc/74/23/65/418742365.db2.gz SEXVECIBFWWBBR-IAGOWNOFSA-N 2 2 315.417 1.910 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000370231490 418742366 /nfs/dbraw/zinc/74/23/66/418742366.db2.gz SEXVECIBFWWBBR-IAGOWNOFSA-N 2 2 315.417 1.910 20 30 DDEDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204812 418767686 /nfs/dbraw/zinc/76/76/86/418767686.db2.gz KHDAPIYWCCPJBG-HZPDHXFCSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204812 418767687 /nfs/dbraw/zinc/76/76/87/418767687.db2.gz KHDAPIYWCCPJBG-HZPDHXFCSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(C)(C)C#N ZINC000371204812 418767688 /nfs/dbraw/zinc/76/76/88/418767688.db2.gz KHDAPIYWCCPJBG-HZPDHXFCSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(C)(C)C#N ZINC000371204812 418767689 /nfs/dbraw/zinc/76/76/89/418767689.db2.gz KHDAPIYWCCPJBG-HZPDHXFCSA-N 2 2 308.470 1.263 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000491210766 421195957 /nfs/dbraw/zinc/19/59/57/421195957.db2.gz YPKAOMFOEGZHJA-CVEARBPZSA-N 2 2 303.450 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000491210766 421195960 /nfs/dbraw/zinc/19/59/60/421195960.db2.gz YPKAOMFOEGZHJA-CVEARBPZSA-N 2 2 303.450 1.274 20 30 DDEDLP CCCC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000550859787 421525535 /nfs/dbraw/zinc/52/55/35/421525535.db2.gz YHAGNHNYHCXNTI-UHFFFAOYSA-N 2 2 312.421 1.955 20 30 DDEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563366001 421493092 /nfs/dbraw/zinc/49/30/92/421493092.db2.gz OQPBJOLIOPIFQB-LSDHHAIUSA-N 2 2 315.421 1.401 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348540493 268212564 /nfs/dbraw/zinc/21/25/64/268212564.db2.gz WNZMQMUIXRJRFK-HUUCEWRRSA-N 2 2 309.373 1.687 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348540493 268212567 /nfs/dbraw/zinc/21/25/67/268212567.db2.gz WNZMQMUIXRJRFK-HUUCEWRRSA-N 2 2 309.373 1.687 20 30 DDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619634 277198884 /nfs/dbraw/zinc/19/88/84/277198884.db2.gz DQDPYBAIJXJBQB-UXLLHSPISA-N 2 2 310.401 1.157 20 30 DDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619634 277198885 /nfs/dbraw/zinc/19/88/85/277198885.db2.gz DQDPYBAIJXJBQB-UXLLHSPISA-N 2 2 310.401 1.157 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619634 277198886 /nfs/dbraw/zinc/19/88/86/277198886.db2.gz DQDPYBAIJXJBQB-UXLLHSPISA-N 2 2 310.401 1.157 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619634 277198887 /nfs/dbraw/zinc/19/88/87/277198887.db2.gz DQDPYBAIJXJBQB-UXLLHSPISA-N 2 2 310.401 1.157 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000576209975 308296715 /nfs/dbraw/zinc/29/67/15/308296715.db2.gz DKSPRTPHIHRYSD-ZDUSSCGKSA-N 2 2 318.425 1.221 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000576209975 308296716 /nfs/dbraw/zinc/29/67/16/308296716.db2.gz DKSPRTPHIHRYSD-ZDUSSCGKSA-N 2 2 318.425 1.221 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000173195628 340359957 /nfs/dbraw/zinc/35/99/57/340359957.db2.gz CGRNBPMTDITMOP-UHFFFAOYSA-N 2 2 319.453 1.989 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CC#N)CC3)cn2)CC1 ZINC000543779578 341058464 /nfs/dbraw/zinc/05/84/64/341058464.db2.gz IZJQIXYRUJDSLD-UHFFFAOYSA-N 2 2 314.437 1.354 20 30 DDEDLP COCC#CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000677819859 486547934 /nfs/dbraw/zinc/54/79/34/486547934.db2.gz CBKPZIXKBKECIC-UHFFFAOYSA-N 3 2 321.509 1.764 20 30 DDEDLP COCC#CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000677819859 486547936 /nfs/dbraw/zinc/54/79/36/486547936.db2.gz CBKPZIXKBKECIC-UHFFFAOYSA-N 3 2 321.509 1.764 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422862547 526453005 /nfs/dbraw/zinc/45/30/05/526453005.db2.gz QBJVTTIODPWNIV-HNNXBMFYSA-N 3 2 323.481 1.548 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338185591 526580186 /nfs/dbraw/zinc/58/01/86/526580186.db2.gz GEXUVFAKMDLJFP-UHFFFAOYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422974535 526604241 /nfs/dbraw/zinc/60/42/41/526604241.db2.gz FDGHNKNHQCMIAN-KSZLIROESA-N 3 2 307.482 1.774 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491071456 526827549 /nfs/dbraw/zinc/82/75/49/526827549.db2.gz KUQNHGMOZSDMAG-UHFFFAOYSA-N 3 2 305.388 1.948 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491071456 526827556 /nfs/dbraw/zinc/82/75/56/526827556.db2.gz KUQNHGMOZSDMAG-UHFFFAOYSA-N 3 2 305.388 1.948 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCSCC)CC1 ZINC000490853888 526947670 /nfs/dbraw/zinc/94/76/70/526947670.db2.gz VLRCVYRRLHTKGU-HNNXBMFYSA-N 2 2 311.495 1.227 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCSCC)CC1 ZINC000490853888 526947676 /nfs/dbraw/zinc/94/76/76/526947676.db2.gz VLRCVYRRLHTKGU-HNNXBMFYSA-N 2 2 311.495 1.227 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000491662956 526983730 /nfs/dbraw/zinc/98/37/30/526983730.db2.gz RSSJWIWSDDZEHQ-SFHVURJKSA-N 2 2 313.445 1.552 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000491662956 526983735 /nfs/dbraw/zinc/98/37/35/526983735.db2.gz RSSJWIWSDDZEHQ-SFHVURJKSA-N 2 2 313.445 1.552 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980226803 696712997 /nfs/dbraw/zinc/71/29/97/696712997.db2.gz IMTSRJSRGBOISP-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980226803 696712999 /nfs/dbraw/zinc/71/29/99/696712999.db2.gz IMTSRJSRGBOISP-ZNMIVQPWSA-N 2 2 300.406 1.192 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980254932 696719826 /nfs/dbraw/zinc/71/98/26/696719826.db2.gz CKOLYTSEMMRMLM-XHSDSOJGSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980254932 696719827 /nfs/dbraw/zinc/71/98/27/696719827.db2.gz CKOLYTSEMMRMLM-XHSDSOJGSA-N 2 2 302.422 1.676 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000120487975 696696396 /nfs/dbraw/zinc/69/63/96/696696396.db2.gz KOTYZLKNOODKOS-MRXNPFEDSA-N 2 2 309.502 1.495 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981809473 696925550 /nfs/dbraw/zinc/92/55/50/696925550.db2.gz KBPMQORBSYILBQ-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981809473 696925552 /nfs/dbraw/zinc/92/55/52/696925552.db2.gz KBPMQORBSYILBQ-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809473 696925554 /nfs/dbraw/zinc/92/55/54/696925554.db2.gz KBPMQORBSYILBQ-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809473 696925556 /nfs/dbraw/zinc/92/55/56/696925556.db2.gz KBPMQORBSYILBQ-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436115 697096524 /nfs/dbraw/zinc/09/65/24/697096524.db2.gz FWTRMTXSIBMMIH-GJZGRUSLSA-N 2 2 323.400 1.531 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634647 697162712 /nfs/dbraw/zinc/16/27/12/697162712.db2.gz NFGVZSYDWPGWJC-OLMNPRSZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634647 697162713 /nfs/dbraw/zinc/16/27/13/697162713.db2.gz NFGVZSYDWPGWJC-OLMNPRSZSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000987309835 698078342 /nfs/dbraw/zinc/07/83/42/698078342.db2.gz LBEDIIQRYBYRRO-ZFWWWQNUSA-N 2 2 311.389 1.646 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776216199 698082182 /nfs/dbraw/zinc/08/21/82/698082182.db2.gz PANJMWBYZSPTNC-HRCADAONSA-N 2 2 321.490 1.122 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776216199 698082187 /nfs/dbraw/zinc/08/21/87/698082187.db2.gz PANJMWBYZSPTNC-HRCADAONSA-N 2 2 321.490 1.122 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603079 698161642 /nfs/dbraw/zinc/16/16/42/698161642.db2.gz FUMIJQHUNRFMTA-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCC1 ZINC000263122883 698492451 /nfs/dbraw/zinc/49/24/51/698492451.db2.gz MERQWPZXKLPLEZ-OAHLLOKOSA-N 2 2 304.463 1.624 20 30 DDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCC1 ZINC000263122883 698492453 /nfs/dbraw/zinc/49/24/53/698492453.db2.gz MERQWPZXKLPLEZ-OAHLLOKOSA-N 2 2 304.463 1.624 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000989040309 698523746 /nfs/dbraw/zinc/52/37/46/698523746.db2.gz HHHIYRVSWXBIFI-HIFRSBDPSA-N 2 2 303.406 1.788 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000303783139 698607109 /nfs/dbraw/zinc/60/71/09/698607109.db2.gz NYAZGOSOFFLULW-HNNXBMFYSA-N 2 2 310.417 1.759 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000303888155 698609701 /nfs/dbraw/zinc/60/97/01/698609701.db2.gz OSHMSHAVJFNADR-RYUDHWBXSA-N 2 2 310.467 1.434 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000303888155 698609703 /nfs/dbraw/zinc/60/97/03/698609703.db2.gz OSHMSHAVJFNADR-RYUDHWBXSA-N 2 2 310.467 1.434 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC000989855109 698797893 /nfs/dbraw/zinc/79/78/93/698797893.db2.gz ZNZSRHUPLPPUCY-RHSMWYFYSA-N 2 2 323.400 1.534 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991503143 699338036 /nfs/dbraw/zinc/33/80/36/699338036.db2.gz MWOSKJLEKCIVHQ-WBVHZDCISA-N 2 2 318.421 1.649 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC000991503143 699338040 /nfs/dbraw/zinc/33/80/40/699338040.db2.gz MWOSKJLEKCIVHQ-WBVHZDCISA-N 2 2 318.421 1.649 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730106189 699501780 /nfs/dbraw/zinc/50/17/80/699501780.db2.gz VVLHQQUESHEXRD-VQHPVUNQSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730106189 699501781 /nfs/dbraw/zinc/50/17/81/699501781.db2.gz VVLHQQUESHEXRD-VQHPVUNQSA-N 2 2 305.466 1.567 20 30 DDEDLP CCC(=[NH+]NC(=S)NCCC[NH+](C)C)c1cccc(N)c1 ZINC000814845228 701757632 /nfs/dbraw/zinc/75/76/32/701757632.db2.gz HZDOXNSYHMOGQI-UHFFFAOYSA-N 2 2 307.467 1.799 20 30 DDEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866264339 706661113 /nfs/dbraw/zinc/66/11/13/706661113.db2.gz YJQLIPMLCDQBLJ-KGLIPLIRSA-N 2 2 302.422 1.550 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCn1cc[nH+]c1 ZINC000876707950 705829823 /nfs/dbraw/zinc/82/98/23/705829823.db2.gz UGKMDCCOWQZODK-MRXNPFEDSA-N 2 2 309.373 1.148 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142582 706890409 /nfs/dbraw/zinc/89/04/09/706890409.db2.gz QPFHGPGMFXWZGV-ARFHVFGLSA-N 2 2 307.438 1.226 20 30 DDEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142582 706890412 /nfs/dbraw/zinc/89/04/12/706890412.db2.gz QPFHGPGMFXWZGV-ARFHVFGLSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142582 706890413 /nfs/dbraw/zinc/89/04/13/706890413.db2.gz QPFHGPGMFXWZGV-ARFHVFGLSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142582 706890415 /nfs/dbraw/zinc/89/04/15/706890415.db2.gz QPFHGPGMFXWZGV-ARFHVFGLSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCO[C@H]2CCOC2)cc1 ZINC000902717479 710876630 /nfs/dbraw/zinc/87/66/30/710876630.db2.gz PTPVUODCPGOYBA-HNNXBMFYSA-N 2 2 307.394 1.191 20 30 DDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000895808565 711612405 /nfs/dbraw/zinc/61/24/05/711612405.db2.gz KHTVNMYRWFULIW-UHFFFAOYSA-N 2 2 317.462 1.539 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179613 716379088 /nfs/dbraw/zinc/37/90/88/716379088.db2.gz PLKYHOYNDOPUJE-XJKSGUPXSA-N 2 2 314.389 1.162 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179613 716379091 /nfs/dbraw/zinc/37/90/91/716379091.db2.gz PLKYHOYNDOPUJE-XJKSGUPXSA-N 2 2 314.389 1.162 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282303 716894947 /nfs/dbraw/zinc/89/49/47/716894947.db2.gz BRHUGVJPHCGQJQ-CVEARBPZSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282303 716894950 /nfs/dbraw/zinc/89/49/50/716894950.db2.gz BRHUGVJPHCGQJQ-CVEARBPZSA-N 2 2 300.406 1.077 20 30 DDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000961896192 717241972 /nfs/dbraw/zinc/24/19/72/717241972.db2.gz RLXHKWQAADSFOZ-VQFNDLOPSA-N 2 2 321.384 1.070 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000961896192 717241978 /nfs/dbraw/zinc/24/19/78/717241978.db2.gz RLXHKWQAADSFOZ-VQFNDLOPSA-N 2 2 321.384 1.070 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374487 717765504 /nfs/dbraw/zinc/76/55/04/717765504.db2.gz QDFWPXBWOSUKMK-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374487 717765508 /nfs/dbraw/zinc/76/55/08/717765508.db2.gz QDFWPXBWOSUKMK-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437896 717788849 /nfs/dbraw/zinc/78/88/49/717788849.db2.gz CMWNELGPZRQHMQ-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963437896 717788853 /nfs/dbraw/zinc/78/88/53/717788853.db2.gz CMWNELGPZRQHMQ-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087663 718761844 /nfs/dbraw/zinc/76/18/44/718761844.db2.gz ORYUNTKRTUZPRB-BBRMVZONSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087663 718761846 /nfs/dbraw/zinc/76/18/46/718761846.db2.gz ORYUNTKRTUZPRB-BBRMVZONSA-N 2 2 320.437 1.753 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875402 718933328 /nfs/dbraw/zinc/93/33/28/718933328.db2.gz PAMWDSQKDMAOEL-IYBDPMFKSA-N 2 2 314.433 1.454 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C1 ZINC000946875402 718933332 /nfs/dbraw/zinc/93/33/32/718933332.db2.gz PAMWDSQKDMAOEL-IYBDPMFKSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947919912 719307647 /nfs/dbraw/zinc/30/76/47/719307647.db2.gz AQJODNALASNMAU-CABCVRRESA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570661 719554538 /nfs/dbraw/zinc/55/45/38/719554538.db2.gz ODAAQLIBBWYFPO-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570661 719554541 /nfs/dbraw/zinc/55/45/41/719554541.db2.gz ODAAQLIBBWYFPO-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000969466670 720144450 /nfs/dbraw/zinc/14/44/50/720144450.db2.gz XZBKRROZXYPXIC-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000969466670 720144453 /nfs/dbraw/zinc/14/44/53/720144453.db2.gz XZBKRROZXYPXIC-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020930442 732776917 /nfs/dbraw/zinc/77/69/17/732776917.db2.gz TXBDAMINQVFESY-WKILWMFISA-N 2 2 323.400 1.271 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202190 733182935 /nfs/dbraw/zinc/18/29/35/733182935.db2.gz LCZPKFMURVKUEC-CABCVRRESA-N 2 2 314.433 1.393 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722312 733485154 /nfs/dbraw/zinc/48/51/54/733485154.db2.gz NMYFBEZIGUISPB-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021722312 733485158 /nfs/dbraw/zinc/48/51/58/733485158.db2.gz NMYFBEZIGUISPB-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167510262 734644591 /nfs/dbraw/zinc/64/45/91/734644591.db2.gz VSPUELREQDOXPR-UHFFFAOYSA-N 2 2 323.481 1.694 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454549 735246066 /nfs/dbraw/zinc/24/60/66/735246066.db2.gz YKRAFOOQKQFHIJ-ZDUSSCGKSA-N 2 2 306.410 1.364 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454549 735246068 /nfs/dbraw/zinc/24/60/68/735246068.db2.gz YKRAFOOQKQFHIJ-ZDUSSCGKSA-N 2 2 306.410 1.364 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451456 735246536 /nfs/dbraw/zinc/24/65/36/735246536.db2.gz HYRGSWFIRYEYHA-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451456 735246539 /nfs/dbraw/zinc/24/65/39/735246539.db2.gz HYRGSWFIRYEYHA-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451456 735246543 /nfs/dbraw/zinc/24/65/43/735246543.db2.gz HYRGSWFIRYEYHA-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451456 735246546 /nfs/dbraw/zinc/24/65/46/735246546.db2.gz HYRGSWFIRYEYHA-HUUCEWRRSA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647521 735999670 /nfs/dbraw/zinc/99/96/70/735999670.db2.gz NLHHXUHWIATIKW-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647521 735999672 /nfs/dbraw/zinc/99/96/72/735999672.db2.gz NLHHXUHWIATIKW-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024651964 736003045 /nfs/dbraw/zinc/00/30/45/736003045.db2.gz GMJLZJLBRDTEHH-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024651964 736003048 /nfs/dbraw/zinc/00/30/48/736003048.db2.gz GMJLZJLBRDTEHH-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]12 ZINC001026282541 737294989 /nfs/dbraw/zinc/29/49/89/737294989.db2.gz UJNDJCKRHSIAGQ-VNQPRFMTSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]12 ZINC001026282541 737294995 /nfs/dbraw/zinc/29/49/95/737294995.db2.gz UJNDJCKRHSIAGQ-VNQPRFMTSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001026407755 737498112 /nfs/dbraw/zinc/49/81/12/737498112.db2.gz SJOMYGLFMHEMIR-SOUVJXGZSA-N 2 2 302.422 1.663 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001027468096 738321636 /nfs/dbraw/zinc/32/16/36/738321636.db2.gz DMIDVWUSYYZZCB-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001027468096 738321638 /nfs/dbraw/zinc/32/16/38/738321638.db2.gz DMIDVWUSYYZZCB-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542378 739648333 /nfs/dbraw/zinc/64/83/33/739648333.db2.gz OUEDCLJVGPWOIC-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001028542378 739648334 /nfs/dbraw/zinc/64/83/34/739648334.db2.gz OUEDCLJVGPWOIC-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000296 740938228 /nfs/dbraw/zinc/93/82/28/740938228.db2.gz YPRIXKHFRCETOM-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000296 740938230 /nfs/dbraw/zinc/93/82/30/740938230.db2.gz YPRIXKHFRCETOM-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000296 740938231 /nfs/dbraw/zinc/93/82/31/740938231.db2.gz YPRIXKHFRCETOM-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088000296 740938232 /nfs/dbraw/zinc/93/82/32/740938232.db2.gz YPRIXKHFRCETOM-LXTVHRRPSA-N 2 2 300.406 1.480 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981634 751632962 /nfs/dbraw/zinc/63/29/62/751632962.db2.gz BNNBHDUSWKOZAC-RDJZCZTQSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981634 751632967 /nfs/dbraw/zinc/63/29/67/751632967.db2.gz BNNBHDUSWKOZAC-RDJZCZTQSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981634 751632969 /nfs/dbraw/zinc/63/29/69/751632969.db2.gz BNNBHDUSWKOZAC-RDJZCZTQSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981634 751632973 /nfs/dbraw/zinc/63/29/73/751632973.db2.gz BNNBHDUSWKOZAC-RDJZCZTQSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967709 742289470 /nfs/dbraw/zinc/28/94/70/742289470.db2.gz SNBDFRRIEWQRGO-SQWLQELKSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967709 742289474 /nfs/dbraw/zinc/28/94/74/742289474.db2.gz SNBDFRRIEWQRGO-SQWLQELKSA-N 2 2 300.406 1.164 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240017 742613183 /nfs/dbraw/zinc/61/31/83/742613183.db2.gz HDHYVRBLYUTTTM-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240017 742613186 /nfs/dbraw/zinc/61/31/86/742613186.db2.gz HDHYVRBLYUTTTM-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240017 742613191 /nfs/dbraw/zinc/61/31/91/742613191.db2.gz HDHYVRBLYUTTTM-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240017 742613194 /nfs/dbraw/zinc/61/31/94/742613194.db2.gz HDHYVRBLYUTTTM-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035695157 751782347 /nfs/dbraw/zinc/78/23/47/751782347.db2.gz MCFPMYKGMMSRBL-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001105721532 743760505 /nfs/dbraw/zinc/76/05/05/743760505.db2.gz CXTWFMGIZQYZIE-UHFFFAOYSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184851722 744104819 /nfs/dbraw/zinc/10/48/19/744104819.db2.gz OPBOBHXWIGDWOV-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185381894 744212327 /nfs/dbraw/zinc/21/23/27/744212327.db2.gz UMHFVYOTMYFOEM-GJZGRUSLSA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185575904 744250384 /nfs/dbraw/zinc/25/03/84/744250384.db2.gz XRFCVFBARPSNPN-HIFRSBDPSA-N 2 2 304.438 1.911 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188188195 744670988 /nfs/dbraw/zinc/67/09/88/744670988.db2.gz WKHCICKVNFLAEU-IAGOWNOFSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010775 745403641 /nfs/dbraw/zinc/40/36/41/745403641.db2.gz PYQQIBQCTRKIJM-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010775 745403644 /nfs/dbraw/zinc/40/36/44/745403644.db2.gz PYQQIBQCTRKIJM-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994235613 746502090 /nfs/dbraw/zinc/50/20/90/746502090.db2.gz WTAYQFXQYVBHRW-ZBFHGGJFSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994235613 746502092 /nfs/dbraw/zinc/50/20/92/746502092.db2.gz WTAYQFXQYVBHRW-ZBFHGGJFSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003651428 747349649 /nfs/dbraw/zinc/34/96/49/747349649.db2.gz DAHNFJHUEZXTHC-HUUCEWRRSA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198615855 747549423 /nfs/dbraw/zinc/54/94/23/747549423.db2.gz CHONWSHRZVKEBK-JKSUJKDBSA-N 2 2 315.417 1.170 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198615855 747549427 /nfs/dbraw/zinc/54/94/27/747549427.db2.gz CHONWSHRZVKEBK-JKSUJKDBSA-N 2 2 315.417 1.170 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089804002 747888497 /nfs/dbraw/zinc/88/84/97/747888497.db2.gz QRWIGIKWHFPECF-JJXSEGSLSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089804002 747888507 /nfs/dbraw/zinc/88/85/07/747888507.db2.gz QRWIGIKWHFPECF-JJXSEGSLSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007700121 752279974 /nfs/dbraw/zinc/27/99/74/752279974.db2.gz SJGWSMFUNWFTKQ-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007700121 752279979 /nfs/dbraw/zinc/27/99/79/752279979.db2.gz SJGWSMFUNWFTKQ-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700121 752279980 /nfs/dbraw/zinc/27/99/80/752279980.db2.gz SJGWSMFUNWFTKQ-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700121 752279984 /nfs/dbraw/zinc/27/99/84/752279984.db2.gz SJGWSMFUNWFTKQ-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201613074 748559969 /nfs/dbraw/zinc/55/99/69/748559969.db2.gz XBTKGZZLJIAUMI-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201613074 748559974 /nfs/dbraw/zinc/55/99/74/748559974.db2.gz XBTKGZZLJIAUMI-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216307 748714081 /nfs/dbraw/zinc/71/40/81/748714081.db2.gz BSTUJLXADRNGEJ-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253355 761890061 /nfs/dbraw/zinc/89/00/61/761890061.db2.gz DKKZPDZROJERCB-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253355 761890071 /nfs/dbraw/zinc/89/00/71/761890071.db2.gz DKKZPDZROJERCB-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039295945 761916489 /nfs/dbraw/zinc/91/64/89/761916489.db2.gz IQHDGSWFWZGMOC-MQVJKMGUSA-N 2 2 302.422 1.961 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995925287 749291908 /nfs/dbraw/zinc/29/19/08/749291908.db2.gz QVUAHVIIFUNSKF-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC000995925287 749291914 /nfs/dbraw/zinc/29/19/14/749291914.db2.gz QVUAHVIIFUNSKF-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202693684 749501864 /nfs/dbraw/zinc/50/18/64/749501864.db2.gz BUPITGGNDKIGSC-OAHLLOKOSA-N 2 2 320.437 1.617 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996685096 749906350 /nfs/dbraw/zinc/90/63/50/749906350.db2.gz BHHUHFWFICRCBY-CVEARBPZSA-N 2 2 314.433 1.144 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877237 750014086 /nfs/dbraw/zinc/01/40/86/750014086.db2.gz HRGNXINTAQIMHI-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877237 750014098 /nfs/dbraw/zinc/01/40/98/750014098.db2.gz HRGNXINTAQIMHI-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033878546 750020172 /nfs/dbraw/zinc/02/01/72/750020172.db2.gz LLZFNLOTNSKPEX-ZDUSSCGKSA-N 2 2 306.410 1.459 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033878546 750020178 /nfs/dbraw/zinc/02/01/78/750020178.db2.gz LLZFNLOTNSKPEX-ZDUSSCGKSA-N 2 2 306.410 1.459 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996835344 750196780 /nfs/dbraw/zinc/19/67/80/750196780.db2.gz RIVYONHOBCAMFC-UHFFFAOYSA-N 2 2 310.829 1.686 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129148 750383060 /nfs/dbraw/zinc/38/30/60/750383060.db2.gz BVAHUWGHHNZQIJ-XZDPQHSOSA-N 2 2 302.422 1.886 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111129148 750383068 /nfs/dbraw/zinc/38/30/68/750383068.db2.gz BVAHUWGHHNZQIJ-XZDPQHSOSA-N 2 2 302.422 1.886 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129148 750383075 /nfs/dbraw/zinc/38/30/75/750383075.db2.gz BVAHUWGHHNZQIJ-XZDPQHSOSA-N 2 2 302.422 1.886 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111129148 750383082 /nfs/dbraw/zinc/38/30/82/750383082.db2.gz BVAHUWGHHNZQIJ-XZDPQHSOSA-N 2 2 302.422 1.886 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005608762 750698805 /nfs/dbraw/zinc/69/88/05/750698805.db2.gz YJDAYEOKHKQMOF-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911549 750958845 /nfs/dbraw/zinc/95/88/45/750958845.db2.gz NJNCJPPIMDVIHZ-NXOAAHMSSA-N 2 2 312.417 1.075 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911549 750958850 /nfs/dbraw/zinc/95/88/50/750958850.db2.gz NJNCJPPIMDVIHZ-NXOAAHMSSA-N 2 2 312.417 1.075 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999470803 752938158 /nfs/dbraw/zinc/93/81/58/752938158.db2.gz WOVCTGWNZXXUSE-UHFFFAOYSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001032726338 753367610 /nfs/dbraw/zinc/36/76/10/753367610.db2.gz KCXWGNHHLHCOTC-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001032726338 753367615 /nfs/dbraw/zinc/36/76/15/753367615.db2.gz KCXWGNHHLHCOTC-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726338 753367620 /nfs/dbraw/zinc/36/76/20/753367620.db2.gz KCXWGNHHLHCOTC-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726338 753367625 /nfs/dbraw/zinc/36/76/25/753367625.db2.gz KCXWGNHHLHCOTC-ULQDDVLXSA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001841767 754533902 /nfs/dbraw/zinc/53/39/02/754533902.db2.gz IRKBQJXPGYNVDN-HZPDHXFCSA-N 2 2 316.449 1.928 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002043862 754647693 /nfs/dbraw/zinc/64/76/93/754647693.db2.gz WGBICAVIOVEAMB-UHFFFAOYSA-N 2 2 323.400 1.342 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090361035 755077495 /nfs/dbraw/zinc/07/74/95/755077495.db2.gz NZMRIRAFUMFTIS-GDBMZVCRSA-N 2 2 314.389 1.304 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090361035 755077500 /nfs/dbraw/zinc/07/75/00/755077500.db2.gz NZMRIRAFUMFTIS-GDBMZVCRSA-N 2 2 314.389 1.304 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001079878315 755617908 /nfs/dbraw/zinc/61/79/08/755617908.db2.gz RACKUXMJRPKXEW-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001079878315 755617910 /nfs/dbraw/zinc/61/79/10/755617910.db2.gz RACKUXMJRPKXEW-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001079878315 755617917 /nfs/dbraw/zinc/61/79/17/755617917.db2.gz RACKUXMJRPKXEW-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001079878315 755617920 /nfs/dbraw/zinc/61/79/20/755617920.db2.gz RACKUXMJRPKXEW-OIISXLGYSA-N 2 2 303.450 1.321 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080143373 755733763 /nfs/dbraw/zinc/73/37/63/755733763.db2.gz GAZQGDPRLSODPX-UKRRQHHQSA-N 2 2 302.422 1.384 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080143373 755733767 /nfs/dbraw/zinc/73/37/67/755733767.db2.gz GAZQGDPRLSODPX-UKRRQHHQSA-N 2 2 302.422 1.384 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603277 756863243 /nfs/dbraw/zinc/86/32/43/756863243.db2.gz SFYIUOIUSDOSCZ-KWCYVHTRSA-N 2 2 322.840 1.635 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001082663897 756877976 /nfs/dbraw/zinc/87/79/76/756877976.db2.gz KYOQNCNHUFJBKU-OAGGEKHMSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001082663897 756877984 /nfs/dbraw/zinc/87/79/84/756877984.db2.gz KYOQNCNHUFJBKU-OAGGEKHMSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC ZINC001097249281 757032212 /nfs/dbraw/zinc/03/22/12/757032212.db2.gz SAVZFGSQVNSFTC-NCOADZHNSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001097249281 757032218 /nfs/dbraw/zinc/03/22/18/757032218.db2.gz SAVZFGSQVNSFTC-NCOADZHNSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001097249281 757032227 /nfs/dbraw/zinc/03/22/27/757032227.db2.gz SAVZFGSQVNSFTC-NCOADZHNSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC ZINC001097249281 757032236 /nfs/dbraw/zinc/03/22/36/757032236.db2.gz SAVZFGSQVNSFTC-NCOADZHNSA-N 2 2 303.450 1.606 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016836697 757394024 /nfs/dbraw/zinc/39/40/24/757394024.db2.gz NOIRKJBDGXEEDV-FMKPAKJESA-N 2 2 312.417 1.128 20 30 DDEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040470226 762547549 /nfs/dbraw/zinc/54/75/49/762547549.db2.gz INJVYNBUVWOZGY-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040470226 762547550 /nfs/dbraw/zinc/54/75/50/762547550.db2.gz INJVYNBUVWOZGY-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016931921 757486933 /nfs/dbraw/zinc/48/69/33/757486933.db2.gz YMGVXNYMSGJKOF-OAHLLOKOSA-N 2 2 302.422 1.509 20 30 DDEDLP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2COCC[N@@H+]2C)cc1C#N ZINC001169655573 762578070 /nfs/dbraw/zinc/57/80/70/762578070.db2.gz IBDRRJDGIKBWTL-IYSPOMMRSA-N 2 2 301.394 1.522 20 30 DDEDLP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2COCC[N@H+]2C)cc1C#N ZINC001169655573 762578076 /nfs/dbraw/zinc/57/80/76/762578076.db2.gz IBDRRJDGIKBWTL-IYSPOMMRSA-N 2 2 301.394 1.522 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001052839115 757857558 /nfs/dbraw/zinc/85/75/58/757857558.db2.gz QIAIBOSAIGSLBF-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001052839115 757857570 /nfs/dbraw/zinc/85/75/70/757857570.db2.gz QIAIBOSAIGSLBF-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040551447 762589599 /nfs/dbraw/zinc/58/95/99/762589599.db2.gz FACNBMUPBXHWOY-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040551447 762589605 /nfs/dbraw/zinc/58/96/05/762589605.db2.gz FACNBMUPBXHWOY-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963384 758102819 /nfs/dbraw/zinc/10/28/19/758102819.db2.gz QPXLXGHANMUZFG-ANQUJSFKSA-N 2 2 312.417 1.459 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963384 758102830 /nfs/dbraw/zinc/10/28/30/758102830.db2.gz QPXLXGHANMUZFG-ANQUJSFKSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053164 758180411 /nfs/dbraw/zinc/18/04/11/758180411.db2.gz HFFMHIOYWVNPIR-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053164 758180412 /nfs/dbraw/zinc/18/04/12/758180412.db2.gz HFFMHIOYWVNPIR-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053164 758180413 /nfs/dbraw/zinc/18/04/13/758180413.db2.gz HFFMHIOYWVNPIR-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085053164 758180414 /nfs/dbraw/zinc/18/04/14/758180414.db2.gz HFFMHIOYWVNPIR-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173333 759254614 /nfs/dbraw/zinc/25/46/14/759254614.db2.gz NMUQUIKOAMJQQN-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173333 759254620 /nfs/dbraw/zinc/25/46/20/759254620.db2.gz NMUQUIKOAMJQQN-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2C1 ZINC001054260193 759358842 /nfs/dbraw/zinc/35/88/42/759358842.db2.gz FHSPNFGIQKNMOJ-QGZVFWFLSA-N 2 2 315.417 1.135 20 30 DDEDLP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2C1 ZINC001054260193 759358854 /nfs/dbraw/zinc/35/88/54/759358854.db2.gz FHSPNFGIQKNMOJ-QGZVFWFLSA-N 2 2 315.417 1.135 20 30 DDEDLP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260193 759358863 /nfs/dbraw/zinc/35/88/63/759358863.db2.gz FHSPNFGIQKNMOJ-QGZVFWFLSA-N 2 2 315.417 1.135 20 30 DDEDLP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260193 759358875 /nfs/dbraw/zinc/35/88/75/759358875.db2.gz FHSPNFGIQKNMOJ-QGZVFWFLSA-N 2 2 315.417 1.135 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681877 759999050 /nfs/dbraw/zinc/99/90/50/759999050.db2.gz IJLCCCIRWIJRGQ-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681877 759999059 /nfs/dbraw/zinc/99/90/59/759999059.db2.gz IJLCCCIRWIJRGQ-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085782213 760218506 /nfs/dbraw/zinc/21/85/06/760218506.db2.gz PILPKDRTMRBILQ-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782213 760218515 /nfs/dbraw/zinc/21/85/15/760218515.db2.gz PILPKDRTMRBILQ-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782213 760218524 /nfs/dbraw/zinc/21/85/24/760218524.db2.gz PILPKDRTMRBILQ-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782213 760218533 /nfs/dbraw/zinc/21/85/33/760218533.db2.gz PILPKDRTMRBILQ-HOTGVXAUSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001020285625 760756580 /nfs/dbraw/zinc/75/65/80/760756580.db2.gz ACLWOTGUJSSLKY-JOCQHMNTSA-N 2 2 310.829 1.916 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001020333282 760800942 /nfs/dbraw/zinc/80/09/42/760800942.db2.gz QWKURRUCMLHJEI-XYPYZODXSA-N 2 2 312.801 1.339 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423984 761105753 /nfs/dbraw/zinc/10/57/53/761105753.db2.gz IPEZSGZTRBOWAF-GDBMZVCRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423984 761105756 /nfs/dbraw/zinc/10/57/56/761105756.db2.gz IPEZSGZTRBOWAF-GDBMZVCRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038501325 761160811 /nfs/dbraw/zinc/16/08/11/761160811.db2.gz HQLXPJLOOSUPDJ-HNNXBMFYSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038501325 761160813 /nfs/dbraw/zinc/16/08/13/761160813.db2.gz HQLXPJLOOSUPDJ-HNNXBMFYSA-N 2 2 309.373 1.095 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000246578 761598088 /nfs/dbraw/zinc/59/80/88/761598088.db2.gz OGNQQIYORRCEBU-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237222 761870544 /nfs/dbraw/zinc/87/05/44/761870544.db2.gz HVIXDCVLHOJQKR-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237222 761870553 /nfs/dbraw/zinc/87/05/53/761870553.db2.gz HVIXDCVLHOJQKR-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001040954274 762742248 /nfs/dbraw/zinc/74/22/48/762742248.db2.gz NTAPFCVEABECSP-UHFFFAOYSA-N 2 2 322.840 1.950 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041716825 763244028 /nfs/dbraw/zinc/24/40/28/763244028.db2.gz GDOVJJDGCMIWGY-NVXWUHKLSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041716825 763244033 /nfs/dbraw/zinc/24/40/33/763244033.db2.gz GDOVJJDGCMIWGY-NVXWUHKLSA-N 2 2 300.406 1.392 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733449 763268944 /nfs/dbraw/zinc/26/89/44/763268944.db2.gz WNGJJNLLJGSXSY-RHSMWYFYSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733449 763268952 /nfs/dbraw/zinc/26/89/52/763268952.db2.gz WNGJJNLLJGSXSY-RHSMWYFYSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733449 763268956 /nfs/dbraw/zinc/26/89/56/763268956.db2.gz WNGJJNLLJGSXSY-RHSMWYFYSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733449 763268961 /nfs/dbraw/zinc/26/89/61/763268961.db2.gz WNGJJNLLJGSXSY-RHSMWYFYSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001050568348 763761617 /nfs/dbraw/zinc/76/16/17/763761617.db2.gz SMYHJVYNVVRFAQ-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042355483 763956595 /nfs/dbraw/zinc/95/65/95/763956595.db2.gz MXMIVYLCMIEJAS-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042355483 763956599 /nfs/dbraw/zinc/95/65/99/763956599.db2.gz MXMIVYLCMIEJAS-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050731112 763972496 /nfs/dbraw/zinc/97/24/96/763972496.db2.gz UJRADTWRAABYCB-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001050913130 764269236 /nfs/dbraw/zinc/26/92/36/764269236.db2.gz KYZQDNQTYMPORY-HZPDHXFCSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001050913130 764269241 /nfs/dbraw/zinc/26/92/41/764269241.db2.gz KYZQDNQTYMPORY-HZPDHXFCSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050913130 764269244 /nfs/dbraw/zinc/26/92/44/764269244.db2.gz KYZQDNQTYMPORY-HZPDHXFCSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050913130 764269248 /nfs/dbraw/zinc/26/92/48/764269248.db2.gz KYZQDNQTYMPORY-HZPDHXFCSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001113027286 765162482 /nfs/dbraw/zinc/16/24/82/765162482.db2.gz AKQQWKCAIMXIID-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001113183380 765378274 /nfs/dbraw/zinc/37/82/74/765378274.db2.gz MTFAROQEQUBHQF-UHFFFAOYSA-N 2 2 309.454 1.208 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC001044775204 765804453 /nfs/dbraw/zinc/80/44/53/765804453.db2.gz KFOMFYCNCXJMJP-HOTGVXAUSA-N 2 2 324.428 1.788 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503576 765894564 /nfs/dbraw/zinc/89/45/64/765894564.db2.gz VIIBLFMXLNBQIJ-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503576 765894568 /nfs/dbraw/zinc/89/45/68/765894568.db2.gz VIIBLFMXLNBQIJ-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488754 767562395 /nfs/dbraw/zinc/56/23/95/767562395.db2.gz VVLPFXMLJIJDMT-QGZVFWFLSA-N 2 2 322.412 1.203 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046607553 767733715 /nfs/dbraw/zinc/73/37/15/767733715.db2.gz AJGFZEAUQOFKNR-SUMWQHHRSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046607553 767733717 /nfs/dbraw/zinc/73/37/17/767733717.db2.gz AJGFZEAUQOFKNR-SUMWQHHRSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782890 769190776 /nfs/dbraw/zinc/19/07/76/769190776.db2.gz VJFYPSATRQMKPD-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744364 769349130 /nfs/dbraw/zinc/34/91/30/769349130.db2.gz JWSJMJOGKLWJJW-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744364 769349141 /nfs/dbraw/zinc/34/91/41/769349141.db2.gz JWSJMJOGKLWJJW-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132999225 769393864 /nfs/dbraw/zinc/39/38/64/769393864.db2.gz ZJUUXLSFCNKKBN-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133240969 769618613 /nfs/dbraw/zinc/61/86/13/769618613.db2.gz CSWQEEGROTWMNT-JSGCOSHPSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242719 769621459 /nfs/dbraw/zinc/62/14/59/769621459.db2.gz XNCTVVATFPUQSI-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133245438 769623631 /nfs/dbraw/zinc/62/36/31/769623631.db2.gz DYJJUHHSYAELBU-CABCVRRESA-N 2 2 316.449 1.785 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133288566 769666751 /nfs/dbraw/zinc/66/67/51/769666751.db2.gz JARNDHSFKHQNQE-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071608437 769708840 /nfs/dbraw/zinc/70/88/40/769708840.db2.gz YGSXMLZTNKFNBO-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071608437 769708846 /nfs/dbraw/zinc/70/88/46/769708846.db2.gz YGSXMLZTNKFNBO-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693388 769892529 /nfs/dbraw/zinc/89/25/29/769892529.db2.gz QGXAKFFJQYOQIF-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@@H]1C ZINC001071693388 769892543 /nfs/dbraw/zinc/89/25/43/769892543.db2.gz QGXAKFFJQYOQIF-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611297 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C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276035 774040407 /nfs/dbraw/zinc/04/04/07/774040407.db2.gz AAMZVVNYIGADIH-ZBFHGGJFSA-N 2 2 322.840 1.724 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276035 774040412 /nfs/dbraw/zinc/04/04/12/774040412.db2.gz AAMZVVNYIGADIH-ZBFHGGJFSA-N 2 2 322.840 1.724 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1C ZINC001074719566 774083702 /nfs/dbraw/zinc/08/37/02/774083702.db2.gz RAGUAODVONYDQC-YUTCNCBUSA-N 2 2 300.406 1.035 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1C ZINC001074719566 774083703 /nfs/dbraw/zinc/08/37/03/774083703.db2.gz RAGUAODVONYDQC-YUTCNCBUSA-N 2 2 300.406 1.035 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036879884 775924488 /nfs/dbraw/zinc/92/44/88/775924488.db2.gz VWVPMNPKVMFHCH-HIFRSBDPSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036879884 775924500 /nfs/dbraw/zinc/92/45/00/775924500.db2.gz VWVPMNPKVMFHCH-HIFRSBDPSA-N 2 2 322.840 1.936 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686731 776439096 /nfs/dbraw/zinc/43/90/96/776439096.db2.gz OTEWNYAHQVFRSX-NEXFUWMNSA-N 2 2 300.406 1.031 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030823 777813363 /nfs/dbraw/zinc/81/33/63/777813363.db2.gz FTVKACISVGVUSV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030823 777813374 /nfs/dbraw/zinc/81/33/74/777813374.db2.gz FTVKACISVGVUSV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030823 777813381 /nfs/dbraw/zinc/81/33/81/777813381.db2.gz FTVKACISVGVUSV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030823 777813392 /nfs/dbraw/zinc/81/33/92/777813392.db2.gz FTVKACISVGVUSV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175646020 777855031 /nfs/dbraw/zinc/85/50/31/777855031.db2.gz XVGUZTKRAHEYAG-CABCVRRESA-N 2 2 304.438 1.876 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175646020 777855041 /nfs/dbraw/zinc/85/50/41/777855041.db2.gz XVGUZTKRAHEYAG-CABCVRRESA-N 2 2 304.438 1.876 20 30 DDEDLP C#Cc1cc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc[nH+]1 ZINC001175820270 777934897 /nfs/dbraw/zinc/93/48/97/777934897.db2.gz QVLMTWFYZLWVGH-UHFFFAOYSA-N 2 2 322.412 1.910 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063873 778423843 /nfs/dbraw/zinc/42/38/43/778423843.db2.gz FUQYPXRKZREDBT-INIZCTEOSA-N 2 2 304.438 1.746 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157032 778465465 /nfs/dbraw/zinc/46/54/65/778465465.db2.gz PXYJPKFHGUDLOL-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001177157032 778465466 /nfs/dbraw/zinc/46/54/66/778465466.db2.gz PXYJPKFHGUDLOL-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157876 778466466 /nfs/dbraw/zinc/46/64/66/778466466.db2.gz VUDBTEYCTRJANT-CVEARBPZSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157876 778466472 /nfs/dbraw/zinc/46/64/72/778466472.db2.gz VUDBTEYCTRJANT-CVEARBPZSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157876 778466475 /nfs/dbraw/zinc/46/64/75/778466475.db2.gz VUDBTEYCTRJANT-CVEARBPZSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157876 778466478 /nfs/dbraw/zinc/46/64/78/778466478.db2.gz VUDBTEYCTRJANT-CVEARBPZSA-N 2 2 309.454 1.204 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492445 778618790 /nfs/dbraw/zinc/61/87/90/778618790.db2.gz HRLSFMYUCZTMPD-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179021709 779249032 /nfs/dbraw/zinc/24/90/32/779249032.db2.gz BGIFOSWVGJKKJJ-DZKIICNBSA-N 2 2 300.406 1.048 20 30 DDEDLP C=CCOCC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179903030 779552681 /nfs/dbraw/zinc/55/26/81/779552681.db2.gz XXBHSPXMZRCXKZ-UHFFFAOYSA-N 2 2 308.426 1.421 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355743 836165332 /nfs/dbraw/zinc/16/53/32/836165332.db2.gz NFYIBNHIHXTIOH-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266355743 836165340 /nfs/dbraw/zinc/16/53/40/836165340.db2.gz NFYIBNHIHXTIOH-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001266381994 836189908 /nfs/dbraw/zinc/18/99/08/836189908.db2.gz DDIDBULMPBGPGE-OAHLLOKOSA-N 2 2 302.422 1.820 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266793579 836844731 /nfs/dbraw/zinc/84/47/31/836844731.db2.gz QIJFEFVLMKSBKR-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266890647 837003002 /nfs/dbraw/zinc/00/30/02/837003002.db2.gz LJACNJOVDAXDQV-HOTGVXAUSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266890647 837003016 /nfs/dbraw/zinc/00/30/16/837003016.db2.gz LJACNJOVDAXDQV-HOTGVXAUSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267545037 838279766 /nfs/dbraw/zinc/27/97/66/838279766.db2.gz PCWWSLNBOWUWTD-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267545037 838279771 /nfs/dbraw/zinc/27/97/71/838279771.db2.gz PCWWSLNBOWUWTD-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001267622357 838513954 /nfs/dbraw/zinc/51/39/54/838513954.db2.gz WPBYMRDHAQVPJR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001267622357 838513957 /nfs/dbraw/zinc/51/39/57/838513957.db2.gz WPBYMRDHAQVPJR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267622357 838513962 /nfs/dbraw/zinc/51/39/62/838513962.db2.gz WPBYMRDHAQVPJR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267622357 838513966 /nfs/dbraw/zinc/51/39/66/838513966.db2.gz WPBYMRDHAQVPJR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267944551 839236771 /nfs/dbraw/zinc/23/67/71/839236771.db2.gz CGAMRFPOHXZLQR-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001268134506 839735802 /nfs/dbraw/zinc/73/58/02/839735802.db2.gz YEEBLQIXERCUHD-LSDHHAIUSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268278202 839935702 /nfs/dbraw/zinc/93/57/02/839935702.db2.gz MZVKSCVHLUDCQM-GJZGRUSLSA-N 2 2 302.422 1.434 20 30 DDEDLP N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001268597855 840549572 /nfs/dbraw/zinc/54/95/72/840549572.db2.gz NJFUXXPNAYFECY-OWOJBTEDSA-N 2 2 315.402 1.348 20 30 DDEDLP C#CCC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001269935172 842165347 /nfs/dbraw/zinc/16/53/47/842165347.db2.gz LKVBGFLADHSJSJ-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001326520650 861422371 /nfs/dbraw/zinc/42/23/71/861422371.db2.gz DQLVBJTZHLCTBU-KLHDSHLOSA-N 2 2 314.433 1.801 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001326520650 861422376 /nfs/dbraw/zinc/42/23/76/861422376.db2.gz DQLVBJTZHLCTBU-KLHDSHLOSA-N 2 2 314.433 1.801 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001271550837 843697577 /nfs/dbraw/zinc/69/75/77/843697577.db2.gz HBLJENXIMQWFIY-HNNXBMFYSA-N 2 2 310.401 1.942 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001154836983 861499190 /nfs/dbraw/zinc/49/91/90/861499190.db2.gz GHQKMDGVLSJDSL-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001154836983 861499201 /nfs/dbraw/zinc/49/92/01/861499201.db2.gz GHQKMDGVLSJDSL-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001154836983 861499211 /nfs/dbraw/zinc/49/92/11/861499211.db2.gz GHQKMDGVLSJDSL-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001154836983 861499219 /nfs/dbraw/zinc/49/92/19/861499219.db2.gz GHQKMDGVLSJDSL-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001409931495 846821672 /nfs/dbraw/zinc/82/16/72/846821672.db2.gz TYXNKGMYWAOOHU-JSGCOSHPSA-N 2 2 319.852 1.855 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274749 848222120 /nfs/dbraw/zinc/22/21/20/848222120.db2.gz SEYCXUCMZWABDF-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274749 848222129 /nfs/dbraw/zinc/22/21/29/848222129.db2.gz SEYCXUCMZWABDF-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150011779 862024521 /nfs/dbraw/zinc/02/45/21/862024521.db2.gz DAQHVURDVCLDGL-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150011779 862024538 /nfs/dbraw/zinc/02/45/38/862024538.db2.gz DAQHVURDVCLDGL-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379361 862206586 /nfs/dbraw/zinc/20/65/86/862206586.db2.gz DBUOXFWYXUNMOS-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379361 862206596 /nfs/dbraw/zinc/20/65/96/862206596.db2.gz DBUOXFWYXUNMOS-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426240 862236658 /nfs/dbraw/zinc/23/66/58/862236658.db2.gz RDPVBFCHEVUERT-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426240 862236677 /nfs/dbraw/zinc/23/66/77/862236677.db2.gz RDPVBFCHEVUERT-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426240 862236696 /nfs/dbraw/zinc/23/66/96/862236696.db2.gz RDPVBFCHEVUERT-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426240 862236715 /nfs/dbraw/zinc/23/67/15/862236715.db2.gz RDPVBFCHEVUERT-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C[C@@](C)(O)C[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001252574287 851625360 /nfs/dbraw/zinc/62/53/60/851625360.db2.gz NFBGMCURVUVOLW-CQSZACIVSA-N 2 2 315.508 1.965 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001274753560 852576055 /nfs/dbraw/zinc/57/60/55/852576055.db2.gz WHIWNUIBRJMNFZ-CYBMUJFWSA-N 2 2 316.405 1.553 20 30 DDEDLP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275865058 853885476 /nfs/dbraw/zinc/88/54/76/853885476.db2.gz DMVABBGJFBYVGZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275865058 853885479 /nfs/dbraw/zinc/88/54/79/853885479.db2.gz DMVABBGJFBYVGZ-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001276188114 854932261 /nfs/dbraw/zinc/93/22/61/854932261.db2.gz ATVCIEFSPSHUIO-OAHLLOKOSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001276188114 854932265 /nfs/dbraw/zinc/93/22/65/854932265.db2.gz ATVCIEFSPSHUIO-OAHLLOKOSA-N 2 2 309.454 1.302 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C/C=C\Cl)C2 ZINC001072822649 857758120 /nfs/dbraw/zinc/75/81/20/857758120.db2.gz REONNUWOYYOHGZ-QZDDGCDVSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C/C=C\Cl)C2 ZINC001072822649 857758130 /nfs/dbraw/zinc/75/81/30/857758130.db2.gz REONNUWOYYOHGZ-QZDDGCDVSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C/C=C\Cl)C2 ZINC001072822649 857758137 /nfs/dbraw/zinc/75/81/37/857758137.db2.gz REONNUWOYYOHGZ-QZDDGCDVSA-N 2 2 321.852 1.371 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C/C=C\Cl)C2 ZINC001072822649 857758142 /nfs/dbraw/zinc/75/81/42/857758142.db2.gz REONNUWOYYOHGZ-QZDDGCDVSA-N 2 2 321.852 1.371 20 30 DDEDLP CC[N@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287091 863712905 /nfs/dbraw/zinc/71/29/05/863712905.db2.gz AJKFJRHJJFOKPO-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287091 863712909 /nfs/dbraw/zinc/71/29/09/863712909.db2.gz AJKFJRHJJFOKPO-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001330321017 864236006 /nfs/dbraw/zinc/23/60/06/864236006.db2.gz TZZONIAGUXQMGX-PHZGNYQRSA-N 2 2 302.422 1.533 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001330321017 864236019 /nfs/dbraw/zinc/23/60/19/864236019.db2.gz TZZONIAGUXQMGX-PHZGNYQRSA-N 2 2 302.422 1.533 20 30 DDEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c(C)c1Cl ZINC001158203087 864487226 /nfs/dbraw/zinc/48/72/26/864487226.db2.gz DXOTXDMMLSBDHT-SNVBAGLBSA-N 2 2 305.769 1.271 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331489995 865114013 /nfs/dbraw/zinc/11/40/13/865114013.db2.gz NRZJPAQBVBIFJE-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331489998 865114075 /nfs/dbraw/zinc/11/40/75/865114075.db2.gz NRZJPAQBVBIFJE-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CNC(=O)C[NH+]1CCC(Nc2[nH+]c(C)ccc2CC#N)CC1 ZINC001161144615 866407925 /nfs/dbraw/zinc/40/79/25/866407925.db2.gz NQVSQWMZZXPHPA-UHFFFAOYSA-N 2 2 301.394 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336725 866553676 /nfs/dbraw/zinc/55/36/76/866553676.db2.gz ZLAWUBZMXYMVCN-UHFFFAOYSA-N 2 2 318.421 1.293 20 30 DDEDLP C=CCOCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336725 866553694 /nfs/dbraw/zinc/55/36/94/866553694.db2.gz ZLAWUBZMXYMVCN-UHFFFAOYSA-N 2 2 318.421 1.293 20 30 DDEDLP C=CCCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001323444513 866614339 /nfs/dbraw/zinc/61/43/39/866614339.db2.gz UJOARHOBJAACIG-UHFFFAOYSA-N 2 2 316.449 1.967 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993853 867167826 /nfs/dbraw/zinc/16/78/26/867167826.db2.gz LFXNEXBVTLQNEO-UHFFFAOYSA-N 2 2 314.433 1.825 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993853 867167835 /nfs/dbraw/zinc/16/78/35/867167835.db2.gz LFXNEXBVTLQNEO-UHFFFAOYSA-N 2 2 314.433 1.825 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)(COC)CC1 ZINC001162590085 867664667 /nfs/dbraw/zinc/66/46/67/867664667.db2.gz BMUFFMRZKHGLPA-UHFFFAOYSA-N 2 2 320.437 1.291 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961528 882131724 /nfs/dbraw/zinc/13/17/24/882131724.db2.gz QPEYHMNRQLLIMJ-HUUCEWRRSA-N 2 2 320.437 1.562 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)c1 ZINC001163588436 868550229 /nfs/dbraw/zinc/55/02/29/868550229.db2.gz IKDTVOVGFLUAPO-UHFFFAOYSA-N 2 2 311.389 1.441 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139076 870345132 /nfs/dbraw/zinc/34/51/32/870345132.db2.gz LULDCFRRCJROQA-DLBZAZTESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139076 870345141 /nfs/dbraw/zinc/34/51/41/870345141.db2.gz LULDCFRRCJROQA-DLBZAZTESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493825 870593246 /nfs/dbraw/zinc/59/32/46/870593246.db2.gz DRJQBIVSYGTAKD-UHFFFAOYSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327697 870651162 /nfs/dbraw/zinc/65/11/62/870651162.db2.gz WVKQMOAIALWTKA-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203668060 870703802 /nfs/dbraw/zinc/70/38/02/870703802.db2.gz HOBSRVCIVAUSKH-CVEARBPZSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317993985 871676813 /nfs/dbraw/zinc/67/68/13/871676813.db2.gz ILVOCGIHUWBYSC-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317993985 871676826 /nfs/dbraw/zinc/67/68/26/871676826.db2.gz ILVOCGIHUWBYSC-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316880701 872196534 /nfs/dbraw/zinc/19/65/34/872196534.db2.gz NLDSBAJMILUWHD-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428194 872307817 /nfs/dbraw/zinc/30/78/17/872307817.db2.gz VMVJLENMYUZAHP-OAHLLOKOSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622698 874714758 /nfs/dbraw/zinc/71/47/58/874714758.db2.gz AZFOQUUSYFMDHM-SJORKVTESA-N 2 2 313.445 1.749 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001276622698 874714765 /nfs/dbraw/zinc/71/47/65/874714765.db2.gz AZFOQUUSYFMDHM-SJORKVTESA-N 2 2 313.445 1.749 20 30 DDEDLP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH2+]C[C@@H]1C#N ZINC001210122592 875236000 /nfs/dbraw/zinc/23/60/00/875236000.db2.gz RSANPQVLGQXKHU-ZDUSSCGKSA-N 2 2 305.451 1.216 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529251 875970041 /nfs/dbraw/zinc/97/00/41/875970041.db2.gz OSIHWBSRIYISEN-HUUCEWRRSA-N 2 2 320.437 1.398 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529251 875970047 /nfs/dbraw/zinc/97/00/47/875970047.db2.gz OSIHWBSRIYISEN-HUUCEWRRSA-N 2 2 320.437 1.398 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215006366 876537716 /nfs/dbraw/zinc/53/77/16/876537716.db2.gz VHNGZSPTTBMEOR-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008440 876538970 /nfs/dbraw/zinc/53/89/70/876538970.db2.gz OLZFCZRDOGQZQZ-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791138 877615783 /nfs/dbraw/zinc/61/57/83/877615783.db2.gz SWGUYKDJGUQHFC-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380032107 878618159 /nfs/dbraw/zinc/61/81/59/878618159.db2.gz GUSZYDMALIEGQJ-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380032107 878618173 /nfs/dbraw/zinc/61/81/73/878618173.db2.gz GUSZYDMALIEGQJ-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722800 880025950 /nfs/dbraw/zinc/02/59/50/880025950.db2.gz DQOIXUXYBUZPBS-HZPDHXFCSA-N 2 2 318.421 1.009 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001221722800 880025966 /nfs/dbraw/zinc/02/59/66/880025966.db2.gz DQOIXUXYBUZPBS-HZPDHXFCSA-N 2 2 318.421 1.009 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001382505071 884146509 /nfs/dbraw/zinc/14/65/09/884146509.db2.gz LVXRPDQUZNYNQQ-CQSZACIVSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001382505071 884146525 /nfs/dbraw/zinc/14/65/25/884146525.db2.gz LVXRPDQUZNYNQQ-CQSZACIVSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001382505071 884146537 /nfs/dbraw/zinc/14/65/37/884146537.db2.gz LVXRPDQUZNYNQQ-CQSZACIVSA-N 2 2 301.862 1.859 20 30 DDEDLP C=C(Cl)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001382505071 884146546 /nfs/dbraw/zinc/14/65/46/884146546.db2.gz LVXRPDQUZNYNQQ-CQSZACIVSA-N 2 2 301.862 1.859 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cscn1 ZINC001277844726 887830813 /nfs/dbraw/zinc/83/08/13/887830813.db2.gz IPFKZAYULZGERX-ZFWWWQNUSA-N 2 2 320.462 1.177 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cscn1 ZINC001277844726 887830816 /nfs/dbraw/zinc/83/08/16/887830816.db2.gz IPFKZAYULZGERX-ZFWWWQNUSA-N 2 2 320.462 1.177 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366482528 893702055 /nfs/dbraw/zinc/70/20/55/893702055.db2.gz XXFSWONCULWAOI-QWHCGFSZSA-N 2 2 310.829 1.682 20 30 DDEDLP C=CCOC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252483331 895202992 /nfs/dbraw/zinc/20/29/92/895202992.db2.gz SRXSEMKHTXURKF-SFHVURJKSA-N 2 2 320.433 1.172 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663248 896559672 /nfs/dbraw/zinc/55/96/72/896559672.db2.gz PFWMALICZRYUOS-BGTYHANMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663248 896559681 /nfs/dbraw/zinc/55/96/81/896559681.db2.gz PFWMALICZRYUOS-BGTYHANMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663248 896559693 /nfs/dbraw/zinc/55/96/93/896559693.db2.gz PFWMALICZRYUOS-BGTYHANMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663248 896559701 /nfs/dbraw/zinc/55/97/01/896559701.db2.gz PFWMALICZRYUOS-BGTYHANMSA-N 2 2 313.449 1.866 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC001367915408 898180474 /nfs/dbraw/zinc/18/04/74/898180474.db2.gz XVICBBRZKQXMGR-KRWDZBQOSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001263815261 900730818 /nfs/dbraw/zinc/73/08/18/900730818.db2.gz UYGLMSZAZDLKLN-INIZCTEOSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001263815261 900730831 /nfs/dbraw/zinc/73/08/31/900730831.db2.gz UYGLMSZAZDLKLN-INIZCTEOSA-N 2 2 309.454 1.208 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001263907694 900811888 /nfs/dbraw/zinc/81/18/88/900811888.db2.gz GRCRDJGIQSNLQV-HRCADAONSA-N 2 2 314.433 1.343 20 30 DDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC#CCOC ZINC001264061056 900899957 /nfs/dbraw/zinc/89/99/57/900899957.db2.gz WJBLVIVEAMRCCV-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC#CCOC ZINC001264061056 900899964 /nfs/dbraw/zinc/89/99/64/900899964.db2.gz WJBLVIVEAMRCCV-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC#CCOC ZINC001264061056 900899971 /nfs/dbraw/zinc/89/99/71/900899971.db2.gz WJBLVIVEAMRCCV-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC#CCOC ZINC001264061056 900899976 /nfs/dbraw/zinc/89/99/76/900899976.db2.gz WJBLVIVEAMRCCV-BBWFWOEESA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265587013 902165307 /nfs/dbraw/zinc/16/53/07/902165307.db2.gz TXEDBDJRBDVDKM-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265587013 902165317 /nfs/dbraw/zinc/16/53/17/902165317.db2.gz TXEDBDJRBDVDKM-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001392678651 904859678 /nfs/dbraw/zinc/85/96/78/904859678.db2.gz QXZDMJWZILDDKV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[NH+]1C ZINC001392678651 904859689 /nfs/dbraw/zinc/85/96/89/904859689.db2.gz QXZDMJWZILDDKV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392678651 904859708 /nfs/dbraw/zinc/85/97/08/904859708.db2.gz QXZDMJWZILDDKV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](C[NH+](C)Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392678651 904859725 /nfs/dbraw/zinc/85/97/25/904859725.db2.gz QXZDMJWZILDDKV-WMLDXEAASA-N 2 2 314.433 1.589 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282230369 905631281 /nfs/dbraw/zinc/63/12/81/905631281.db2.gz VNHBVQUOHWZNIR-LSDHHAIUSA-N 2 2 324.428 1.795 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001393522125 907211125 /nfs/dbraw/zinc/21/11/25/907211125.db2.gz CWDMWUWRMHCQEK-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001393522125 907211140 /nfs/dbraw/zinc/21/11/40/907211140.db2.gz CWDMWUWRMHCQEK-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001284603455 909240163 /nfs/dbraw/zinc/24/01/63/909240163.db2.gz IJNGCHZNTFIROL-LSDHHAIUSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001284630255 909274936 /nfs/dbraw/zinc/27/49/36/909274936.db2.gz IQMSYWLTKMFGLJ-LSDHHAIUSA-N 2 2 304.438 1.978 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001375238494 915349458 /nfs/dbraw/zinc/34/94/58/915349458.db2.gz FVBODSBTVQCNIW-ZIAGYGMSSA-N 2 2 322.840 1.682 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001375375103 915755328 /nfs/dbraw/zinc/75/53/28/915755328.db2.gz LRVIHVKURKWVKL-QGZVFWFLSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001375375103 915755343 /nfs/dbraw/zinc/75/53/43/915755343.db2.gz LRVIHVKURKWVKL-QGZVFWFLSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001375375103 915755358 /nfs/dbraw/zinc/75/53/58/915755358.db2.gz LRVIHVKURKWVKL-QGZVFWFLSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001375375103 915755367 /nfs/dbraw/zinc/75/53/67/915755367.db2.gz LRVIHVKURKWVKL-QGZVFWFLSA-N 2 2 314.433 1.589 20 30 DDEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001377017629 920100949 /nfs/dbraw/zinc/10/09/49/920100949.db2.gz LGBLKJSCWUBJQV-AWEZNQCLSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001377017629 920100957 /nfs/dbraw/zinc/10/09/57/920100957.db2.gz LGBLKJSCWUBJQV-AWEZNQCLSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001377017629 920100964 /nfs/dbraw/zinc/10/09/64/920100964.db2.gz LGBLKJSCWUBJQV-AWEZNQCLSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001377017629 920100971 /nfs/dbraw/zinc/10/09/71/920100971.db2.gz LGBLKJSCWUBJQV-AWEZNQCLSA-N 2 2 317.861 1.240 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329269735 539302321 /nfs/dbraw/zinc/30/23/21/539302321.db2.gz GYWSZCHEZVWVFX-AWEZNQCLSA-N 2 2 303.410 1.516 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000329269735 539302322 /nfs/dbraw/zinc/30/23/22/539302322.db2.gz GYWSZCHEZVWVFX-AWEZNQCLSA-N 2 2 303.410 1.516 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926717 353784047 /nfs/dbraw/zinc/78/40/47/353784047.db2.gz AHTVSNFFCNECGZ-HNNXBMFYSA-N 2 2 319.453 1.355 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCCCC#N)C2)CC1 ZINC000588362498 354918431 /nfs/dbraw/zinc/91/84/31/354918431.db2.gz FXCPQOSUCJXZKC-OAHLLOKOSA-N 2 2 306.454 1.745 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCCCC#N)C2)CC1 ZINC000588362498 354918435 /nfs/dbraw/zinc/91/84/35/354918435.db2.gz FXCPQOSUCJXZKC-OAHLLOKOSA-N 2 2 306.454 1.745 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000591742883 355375614 /nfs/dbraw/zinc/37/56/14/355375614.db2.gz PZHVLTFTCZJEMY-IAGOWNOFSA-N 2 2 317.433 1.762 20 30 DDEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329735016 223020826 /nfs/dbraw/zinc/02/08/26/223020826.db2.gz KQEOGLNJGOXSOB-ICIURTGMSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329735016 223020828 /nfs/dbraw/zinc/02/08/28/223020828.db2.gz KQEOGLNJGOXSOB-ICIURTGMSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329735016 223020831 /nfs/dbraw/zinc/02/08/31/223020831.db2.gz KQEOGLNJGOXSOB-ICIURTGMSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329735016 223020832 /nfs/dbraw/zinc/02/08/32/223020832.db2.gz KQEOGLNJGOXSOB-ICIURTGMSA-N 2 2 317.437 1.738 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549013 304075869 /nfs/dbraw/zinc/07/58/69/304075869.db2.gz KYKVZJLWMFSIMS-INIZCTEOSA-N 2 2 303.406 1.076 20 30 DDEDLP C[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000602861701 359246195 /nfs/dbraw/zinc/24/61/95/359246195.db2.gz HSQZNBQQVANMQP-HNNXBMFYSA-N 2 2 300.406 1.223 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000602891424 359274615 /nfs/dbraw/zinc/27/46/15/359274615.db2.gz MVSVKCHNCUAUEJ-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000602891424 359274619 /nfs/dbraw/zinc/27/46/19/359274619.db2.gz MVSVKCHNCUAUEJ-KRWDZBQOSA-N 2 2 303.406 1.326 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000611242313 360676415 /nfs/dbraw/zinc/67/64/15/360676415.db2.gz ZAVVXPBIYWNNAT-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP Cc1cc(C)c(NC(=O)N(C)CC[NH+]2CCOCC2)c(C)[nH+]1 ZINC000331229251 223195546 /nfs/dbraw/zinc/19/55/46/223195546.db2.gz GFBXVMMUMZPTPG-UHFFFAOYSA-N 2 2 306.410 1.816 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000107369300 407374423 /nfs/dbraw/zinc/37/44/23/407374423.db2.gz IHWCIFGLTLRHTI-SFHVURJKSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000107369300 407374424 /nfs/dbraw/zinc/37/44/24/407374424.db2.gz IHWCIFGLTLRHTI-SFHVURJKSA-N 2 2 316.424 1.909 20 30 DDEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135100068 407974153 /nfs/dbraw/zinc/97/41/53/407974153.db2.gz YDZBLVLWISLDMW-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000135100068 407974159 /nfs/dbraw/zinc/97/41/59/407974159.db2.gz YDZBLVLWISLDMW-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121239742 408167728 /nfs/dbraw/zinc/16/77/28/408167728.db2.gz XHHGOVWYSHPVQI-UHFFFAOYSA-N 2 2 303.406 1.575 20 30 DDEDLP C=CC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121239742 408167734 /nfs/dbraw/zinc/16/77/34/408167734.db2.gz XHHGOVWYSHPVQI-UHFFFAOYSA-N 2 2 303.406 1.575 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157294307 408296732 /nfs/dbraw/zinc/29/67/32/408296732.db2.gz ZHYIFAGUATZHBQ-HOTGVXAUSA-N 2 2 306.454 1.697 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157294307 408296737 /nfs/dbraw/zinc/29/67/37/408296737.db2.gz ZHYIFAGUATZHBQ-HOTGVXAUSA-N 2 2 306.454 1.697 20 30 DDEDLP Cn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000191332862 408408834 /nfs/dbraw/zinc/40/88/34/408408834.db2.gz DHATVCDZATXZLL-QGZVFWFLSA-N 2 2 315.465 1.499 20 30 DDEDLP Cn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000191332862 408408838 /nfs/dbraw/zinc/40/88/38/408408838.db2.gz DHATVCDZATXZLL-QGZVFWFLSA-N 2 2 315.465 1.499 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277331655 408920930 /nfs/dbraw/zinc/92/09/30/408920930.db2.gz MSWOZBDKWYNUOT-OAHLLOKOSA-N 2 2 304.463 1.694 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277331655 408920932 /nfs/dbraw/zinc/92/09/32/408920932.db2.gz MSWOZBDKWYNUOT-OAHLLOKOSA-N 2 2 304.463 1.694 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000297005488 409756553 /nfs/dbraw/zinc/75/65/53/409756553.db2.gz UGOVANDUZKPLNJ-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000297005488 409756561 /nfs/dbraw/zinc/75/65/61/409756561.db2.gz UGOVANDUZKPLNJ-UHFFFAOYSA-N 2 2 303.410 1.254 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339174996 410064719 /nfs/dbraw/zinc/06/47/19/410064719.db2.gz NNDNDXWBGOUNMV-PVAVHDDUSA-N 2 2 320.481 1.942 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339174996 410064723 /nfs/dbraw/zinc/06/47/23/410064723.db2.gz NNDNDXWBGOUNMV-PVAVHDDUSA-N 2 2 320.481 1.942 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)C#N ZINC000358632068 410503466 /nfs/dbraw/zinc/50/34/66/410503466.db2.gz JFSZRGCJJYCXAX-UHFFFAOYSA-N 2 2 309.458 1.204 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)C#N ZINC000358632068 410503470 /nfs/dbraw/zinc/50/34/70/410503470.db2.gz JFSZRGCJJYCXAX-UHFFFAOYSA-N 2 2 309.458 1.204 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000373992196 418480897 /nfs/dbraw/zinc/48/08/97/418480897.db2.gz KUMRFBVLTONFQC-CABCVRRESA-N 2 2 304.438 1.909 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCOC1 ZINC000262862738 222298132 /nfs/dbraw/zinc/29/81/32/222298132.db2.gz ZQWJNJGHXHBEDQ-ZDUSSCGKSA-N 2 2 322.478 1.308 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC[C@@H]1CCOC1 ZINC000262862738 222298135 /nfs/dbraw/zinc/29/81/35/222298135.db2.gz ZQWJNJGHXHBEDQ-ZDUSSCGKSA-N 2 2 322.478 1.308 20 30 DDEDLP C(#CC[N@H+]1CCOC[C@@H]1C1CC1)CN1CCOC[C@@H]1C1CC1 ZINC000375298629 418626860 /nfs/dbraw/zinc/62/68/60/418626860.db2.gz YSDOVGFSKHHIAF-QZTJIDSGSA-N 2 2 304.434 1.211 20 30 DDEDLP C(#CC[N@@H+]1CCOC[C@@H]1C1CC1)C[NH+]1CCOC[C@@H]1C1CC1 ZINC000375298629 418626862 /nfs/dbraw/zinc/62/68/62/418626862.db2.gz YSDOVGFSKHHIAF-QZTJIDSGSA-N 2 2 304.434 1.211 20 30 DDEDLP C(#CC[N@H+]1CCOC[C@@H]1C1CC1)C[NH+]1CCOC[C@@H]1C1CC1 ZINC000375298629 418626863 /nfs/dbraw/zinc/62/68/63/418626863.db2.gz YSDOVGFSKHHIAF-QZTJIDSGSA-N 2 2 304.434 1.211 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368114854 418691435 /nfs/dbraw/zinc/69/14/35/418691435.db2.gz JYLFUVYJIAHKMV-QGZVFWFLSA-N 2 2 309.429 1.366 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1c(F)cccc1F ZINC000424144125 420311831 /nfs/dbraw/zinc/31/18/31/420311831.db2.gz KQJWRZANIDLYEC-KGLIPLIRSA-N 2 2 324.375 1.705 20 30 DDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553091107 421602270 /nfs/dbraw/zinc/60/22/70/421602270.db2.gz KDQADQRQXOVDCG-HIFRSBDPSA-N 2 2 314.437 1.403 20 30 DDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000553091107 421602274 /nfs/dbraw/zinc/60/22/74/421602274.db2.gz KDQADQRQXOVDCG-HIFRSBDPSA-N 2 2 314.437 1.403 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C(F)F)CC2)cc1 ZINC000344118129 268065932 /nfs/dbraw/zinc/06/59/32/268065932.db2.gz YNPLTZPQINQBOS-HNNXBMFYSA-N 2 2 309.360 1.738 20 30 DDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619622 277198667 /nfs/dbraw/zinc/19/86/67/277198667.db2.gz DQDPYBAIJXJBQB-HLLBOEOZSA-N 2 2 310.401 1.157 20 30 DDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619622 277198668 /nfs/dbraw/zinc/19/86/68/277198668.db2.gz DQDPYBAIJXJBQB-HLLBOEOZSA-N 2 2 310.401 1.157 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619622 277198669 /nfs/dbraw/zinc/19/86/69/277198669.db2.gz DQDPYBAIJXJBQB-HLLBOEOZSA-N 2 2 310.401 1.157 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193619622 277198670 /nfs/dbraw/zinc/19/86/70/277198670.db2.gz DQDPYBAIJXJBQB-HLLBOEOZSA-N 2 2 310.401 1.157 20 30 DDEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425986 290004063 /nfs/dbraw/zinc/00/40/63/290004063.db2.gz IOWZJCPDFSTONR-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425986 290004065 /nfs/dbraw/zinc/00/40/65/290004065.db2.gz IOWZJCPDFSTONR-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425986 290004067 /nfs/dbraw/zinc/00/40/67/290004067.db2.gz IOWZJCPDFSTONR-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425986 290004069 /nfs/dbraw/zinc/00/40/69/290004069.db2.gz IOWZJCPDFSTONR-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000536068126 303355197 /nfs/dbraw/zinc/35/51/97/303355197.db2.gz RNEWOLISFIODHN-CQSZACIVSA-N 2 2 309.373 1.720 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000536068126 303355199 /nfs/dbraw/zinc/35/51/99/303355199.db2.gz RNEWOLISFIODHN-CQSZACIVSA-N 2 2 309.373 1.720 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000576209974 308296786 /nfs/dbraw/zinc/29/67/86/308296786.db2.gz DKSPRTPHIHRYSD-CYBMUJFWSA-N 2 2 318.425 1.221 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000576209974 308296787 /nfs/dbraw/zinc/29/67/87/308296787.db2.gz DKSPRTPHIHRYSD-CYBMUJFWSA-N 2 2 318.425 1.221 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000582660930 337117276 /nfs/dbraw/zinc/11/72/76/337117276.db2.gz TWVUEUPLRKAOHQ-ZBFHGGJFSA-N 2 2 314.389 1.367 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2SCC)CC1 ZINC000491166079 526950528 /nfs/dbraw/zinc/95/05/28/526950528.db2.gz PMPZGOYVLGZWKC-CABCVRRESA-N 2 2 309.479 1.028 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330429134 528991423 /nfs/dbraw/zinc/99/14/23/528991423.db2.gz UYBFSHKDBPKCMG-KRWDZBQOSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330429134 528991429 /nfs/dbraw/zinc/99/14/29/528991429.db2.gz UYBFSHKDBPKCMG-KRWDZBQOSA-N 2 2 308.470 1.845 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581778 695690327 /nfs/dbraw/zinc/69/03/27/695690327.db2.gz GYYJWGIIVMZDLC-HNNXBMFYSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000974581778 695690330 /nfs/dbraw/zinc/69/03/30/695690330.db2.gz GYYJWGIIVMZDLC-HNNXBMFYSA-N 2 2 310.401 1.716 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974763581 695728950 /nfs/dbraw/zinc/72/89/50/695728950.db2.gz IFIRUJGGHITBQY-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974763581 695728952 /nfs/dbraw/zinc/72/89/52/695728952.db2.gz IFIRUJGGHITBQY-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959930 696985645 /nfs/dbraw/zinc/98/56/45/696985645.db2.gz QLAADGYJGISKPC-INIZCTEOSA-N 2 2 314.433 1.312 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959930 696985646 /nfs/dbraw/zinc/98/56/46/696985646.db2.gz QLAADGYJGISKPC-INIZCTEOSA-N 2 2 314.433 1.312 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000981431965 697096152 /nfs/dbraw/zinc/09/61/52/697096152.db2.gz WKJZBWOESPMGQO-UHFFFAOYSA-N 2 2 302.422 1.484 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000981431965 697096153 /nfs/dbraw/zinc/09/61/53/697096153.db2.gz WKJZBWOESPMGQO-UHFFFAOYSA-N 2 2 302.422 1.484 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515134 697523781 /nfs/dbraw/zinc/52/37/81/697523781.db2.gz LKLAYWYZQMQILK-CQSZACIVSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000985515134 697523782 /nfs/dbraw/zinc/52/37/82/697523782.db2.gz LKLAYWYZQMQILK-CQSZACIVSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515134 697523783 /nfs/dbraw/zinc/52/37/83/697523783.db2.gz LKLAYWYZQMQILK-CQSZACIVSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000985515134 697523784 /nfs/dbraw/zinc/52/37/84/697523784.db2.gz LKLAYWYZQMQILK-CQSZACIVSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000985731958 697564746 /nfs/dbraw/zinc/56/47/46/697564746.db2.gz IWWKRCLMPSRRQL-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000985731958 697564747 /nfs/dbraw/zinc/56/47/47/697564747.db2.gz IWWKRCLMPSRRQL-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC000987187688 698026228 /nfs/dbraw/zinc/02/62/28/698026228.db2.gz XSFYLQJKCWBWGH-HOCLYGCPSA-N 2 2 312.417 1.950 20 30 DDEDLP C=CCn1nnn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755781347 700583885 /nfs/dbraw/zinc/58/38/85/700583885.db2.gz VELKKJBWSNQYFB-AWEZNQCLSA-N 2 2 322.482 1.616 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755781347 700583887 /nfs/dbraw/zinc/58/38/87/700583887.db2.gz VELKKJBWSNQYFB-AWEZNQCLSA-N 2 2 322.482 1.616 20 30 DDEDLP C[NH2+]CC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000866659992 706755545 /nfs/dbraw/zinc/75/55/45/706755545.db2.gz ZUOXDSQKMVBNPO-INIZCTEOSA-N 2 2 301.390 1.704 20 30 DDEDLP COc1c(C)c[nH+]c(CNC(=O)C#CC2CC[NH2+]CC2)c1C ZINC000852863510 704152525 /nfs/dbraw/zinc/15/25/25/704152525.db2.gz PMSSAOMOCZYDFL-UHFFFAOYSA-N 2 2 301.390 1.326 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000876873716 705900783 /nfs/dbraw/zinc/90/07/83/705900783.db2.gz OONKLPCBNBBCML-HUUCEWRRSA-N 2 2 307.825 1.972 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000876873716 705900787 /nfs/dbraw/zinc/90/07/87/705900787.db2.gz OONKLPCBNBBCML-HUUCEWRRSA-N 2 2 307.825 1.972 20 30 DDEDLP Nc1ccc2c(n1)CCCC2=[NH+]NCCC[NH+]1CCOCC1 ZINC000834977865 707154486 /nfs/dbraw/zinc/15/44/86/707154486.db2.gz YTHOVIPSMINSMX-UHFFFAOYSA-N 2 2 303.410 1.016 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927073322 712937600 /nfs/dbraw/zinc/93/76/00/712937600.db2.gz SVHUNLNYALSTIV-INIZCTEOSA-N 2 2 312.417 1.582 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927073322 712937601 /nfs/dbraw/zinc/93/76/01/712937601.db2.gz SVHUNLNYALSTIV-INIZCTEOSA-N 2 2 312.417 1.582 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131309 708966191 /nfs/dbraw/zinc/96/61/91/708966191.db2.gz VLKWKPANYVETCE-LSDHHAIUSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131309 708966194 /nfs/dbraw/zinc/96/61/94/708966194.db2.gz VLKWKPANYVETCE-LSDHHAIUSA-N 2 2 315.421 1.353 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@@]23CCOC3)cc1 ZINC000902281472 710695314 /nfs/dbraw/zinc/69/53/14/710695314.db2.gz KEFJHBASNXRBII-DOTOQJQBSA-N 2 2 303.406 1.812 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000928648104 713249585 /nfs/dbraw/zinc/24/95/85/713249585.db2.gz GGRZPGAIJJEAHB-UHFFFAOYSA-N 2 2 322.412 1.629 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1sccc1C#N ZINC000931833280 714193447 /nfs/dbraw/zinc/19/34/47/714193447.db2.gz BDYCTOWPLDNREA-UHFFFAOYSA-N 2 2 309.439 1.625 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1sccc1C#N ZINC000931833280 714193449 /nfs/dbraw/zinc/19/34/49/714193449.db2.gz BDYCTOWPLDNREA-UHFFFAOYSA-N 2 2 309.439 1.625 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000923560036 714403243 /nfs/dbraw/zinc/40/32/43/714403243.db2.gz XTKFELRPCBZGBF-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000923560036 714403246 /nfs/dbraw/zinc/40/32/46/714403246.db2.gz XTKFELRPCBZGBF-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560036 714403248 /nfs/dbraw/zinc/40/32/48/714403248.db2.gz XTKFELRPCBZGBF-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560036 714403250 /nfs/dbraw/zinc/40/32/50/714403250.db2.gz XTKFELRPCBZGBF-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000923574319 714412019 /nfs/dbraw/zinc/41/20/19/714412019.db2.gz CGARYJLCRJAZFE-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000923574319 714412021 /nfs/dbraw/zinc/41/20/21/714412021.db2.gz CGARYJLCRJAZFE-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574319 714412022 /nfs/dbraw/zinc/41/20/22/714412022.db2.gz CGARYJLCRJAZFE-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574319 714412023 /nfs/dbraw/zinc/41/20/23/714412023.db2.gz CGARYJLCRJAZFE-WMZOPIPTSA-N 2 2 313.445 1.721 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960650255 716646648 /nfs/dbraw/zinc/64/66/48/716646648.db2.gz SATHLWCUAXHXCB-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960650255 716646655 /nfs/dbraw/zinc/64/66/55/716646655.db2.gz SATHLWCUAXHXCB-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960650255 716646658 /nfs/dbraw/zinc/64/66/58/716646658.db2.gz SATHLWCUAXHXCB-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960650255 716646661 /nfs/dbraw/zinc/64/66/61/716646661.db2.gz SATHLWCUAXHXCB-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186385 717125530 /nfs/dbraw/zinc/12/55/30/717125530.db2.gz JABWPJDILYDTOV-OAHLLOKOSA-N 2 2 302.422 1.501 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186385 717125531 /nfs/dbraw/zinc/12/55/31/717125531.db2.gz JABWPJDILYDTOV-OAHLLOKOSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962269269 717381091 /nfs/dbraw/zinc/38/10/91/717381091.db2.gz BOPZJXYIRGXSJC-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962269269 717381098 /nfs/dbraw/zinc/38/10/98/717381098.db2.gz BOPZJXYIRGXSJC-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962280426 717386819 /nfs/dbraw/zinc/38/68/19/717386819.db2.gz QBDANKSMEXPTEZ-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962280426 717386821 /nfs/dbraw/zinc/38/68/21/717386821.db2.gz QBDANKSMEXPTEZ-QLPKVWCKSA-N 2 2 323.400 1.503 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063117 717458728 /nfs/dbraw/zinc/45/87/28/717458728.db2.gz CNWKLNQMCPCEJM-GOEBONIOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063117 717458730 /nfs/dbraw/zinc/45/87/30/717458730.db2.gz CNWKLNQMCPCEJM-GOEBONIOSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571246 718837727 /nfs/dbraw/zinc/83/77/27/718837727.db2.gz UVRSEBHAISOQBQ-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946571246 718837733 /nfs/dbraw/zinc/83/77/33/718837733.db2.gz UVRSEBHAISOQBQ-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000950514241 720666680 /nfs/dbraw/zinc/66/66/80/720666680.db2.gz SIDQQMFNKNWEMQ-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585818 735327487 /nfs/dbraw/zinc/32/74/87/735327487.db2.gz NBLSKOVTZABWAV-LSDHHAIUSA-N 2 2 314.433 1.681 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585818 735327491 /nfs/dbraw/zinc/32/74/91/735327491.db2.gz NBLSKOVTZABWAV-LSDHHAIUSA-N 2 2 314.433 1.681 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680298 738484615 /nfs/dbraw/zinc/48/46/15/738484615.db2.gz PEPAITPDGWGUML-ZWKOTPCHSA-N 2 2 322.412 1.560 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696428 738559654 /nfs/dbraw/zinc/55/96/54/738559654.db2.gz NTZDFSLUISUHKO-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696428 738559657 /nfs/dbraw/zinc/55/96/57/738559657.db2.gz NTZDFSLUISUHKO-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696425 738559887 /nfs/dbraw/zinc/55/98/87/738559887.db2.gz NTZDFSLUISUHKO-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696425 738559888 /nfs/dbraw/zinc/55/98/88/738559888.db2.gz NTZDFSLUISUHKO-DLBZAZTESA-N 2 2 314.433 1.240 20 30 DDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112501122 733542223 /nfs/dbraw/zinc/54/22/23/733542223.db2.gz KWKLVKDIHACRLA-RDJZCZTQSA-N 2 2 302.422 1.678 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367306 734387532 /nfs/dbraw/zinc/38/75/32/734387532.db2.gz OKIWHSDVRFDSEJ-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929260 738824049 /nfs/dbraw/zinc/82/40/49/738824049.db2.gz CQPIMPHNALBSHA-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929260 738824053 /nfs/dbraw/zinc/82/40/53/738824053.db2.gz CQPIMPHNALBSHA-LSDHHAIUSA-N 2 2 300.406 1.364 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980811 738902733 /nfs/dbraw/zinc/90/27/33/738902733.db2.gz DCRZGFKPXGPFTK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027980811 738902734 /nfs/dbraw/zinc/90/27/34/738902734.db2.gz DCRZGFKPXGPFTK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353851 737126088 /nfs/dbraw/zinc/12/60/88/737126088.db2.gz PSQBHGSBKUTMGD-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353851 737126090 /nfs/dbraw/zinc/12/60/90/737126090.db2.gz PSQBHGSBKUTMGD-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353851 737126091 /nfs/dbraw/zinc/12/60/91/737126091.db2.gz PSQBHGSBKUTMGD-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353851 737126093 /nfs/dbraw/zinc/12/60/93/737126093.db2.gz PSQBHGSBKUTMGD-DLBZAZTESA-N 2 2 303.450 1.607 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026252460 737250060 /nfs/dbraw/zinc/25/00/60/737250060.db2.gz RHEPFXPJXFBUMA-MGPQQGTHSA-N 2 2 322.840 1.921 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001027091257 738051161 /nfs/dbraw/zinc/05/11/61/738051161.db2.gz IHZFLSNZJYIGOC-MRXNPFEDSA-N 2 2 323.400 1.462 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468234 738321284 /nfs/dbraw/zinc/32/12/84/738321284.db2.gz HPXWSFXGUXZAMM-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468234 738321286 /nfs/dbraw/zinc/32/12/86/738321286.db2.gz HPXWSFXGUXZAMM-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001027504641 738355498 /nfs/dbraw/zinc/35/54/98/738355498.db2.gz GBFBOPUCGBKTNP-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001027504641 738355503 /nfs/dbraw/zinc/35/55/03/738355503.db2.gz GBFBOPUCGBKTNP-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001027504641 738355506 /nfs/dbraw/zinc/35/55/06/738355506.db2.gz GBFBOPUCGBKTNP-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001027504641 738355514 /nfs/dbraw/zinc/35/55/14/738355514.db2.gz GBFBOPUCGBKTNP-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536063 740451656 /nfs/dbraw/zinc/45/16/56/740451656.db2.gz OEKHQFUTZHAJEA-YOEHRIQHSA-N 2 2 300.406 1.194 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631110 740684207 /nfs/dbraw/zinc/68/42/07/740684207.db2.gz LOFGQYLLDFRRMT-UKPHBRMFSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631110 740684211 /nfs/dbraw/zinc/68/42/11/740684211.db2.gz LOFGQYLLDFRRMT-UKPHBRMFSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631110 740684215 /nfs/dbraw/zinc/68/42/15/740684215.db2.gz LOFGQYLLDFRRMT-UKPHBRMFSA-N 2 2 314.433 1.425 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631110 740684219 /nfs/dbraw/zinc/68/42/19/740684219.db2.gz LOFGQYLLDFRRMT-UKPHBRMFSA-N 2 2 314.433 1.425 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562936 751644964 /nfs/dbraw/zinc/64/49/64/751644964.db2.gz NYDJPAURXRPFRH-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035562936 751644965 /nfs/dbraw/zinc/64/49/65/751644965.db2.gz NYDJPAURXRPFRH-MRXNPFEDSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035753122 751837125 /nfs/dbraw/zinc/83/71/25/751837125.db2.gz NLGGEDVMFAZYMJ-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183596539 743867186 /nfs/dbraw/zinc/86/71/86/743867186.db2.gz SGFRKIKDGSOSGC-IUODEOHRSA-N 2 2 310.829 1.710 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184902157 744123487 /nfs/dbraw/zinc/12/34/87/744123487.db2.gz GVSJZEJAIMYKFR-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501385 744237900 /nfs/dbraw/zinc/23/79/00/744237900.db2.gz DOHDNFLOKIFKEL-GJZGRUSLSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957009 744404674 /nfs/dbraw/zinc/40/46/74/744404674.db2.gz DXSNMPORTLXQNO-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001088957009 744404675 /nfs/dbraw/zinc/40/46/75/744404675.db2.gz DXSNMPORTLXQNO-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001089074037 744491531 /nfs/dbraw/zinc/49/15/31/744491531.db2.gz UBAINYNBJLFJNT-AEFFLSMTSA-N 2 2 322.412 1.514 20 30 DDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC#Cc1ccccc1 ZINC001089074037 744491535 /nfs/dbraw/zinc/49/15/35/744491535.db2.gz UBAINYNBJLFJNT-AEFFLSMTSA-N 2 2 322.412 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187713757 744595620 /nfs/dbraw/zinc/59/56/20/744595620.db2.gz FQEPZEYDTDHHDL-LSDHHAIUSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187713757 744595622 /nfs/dbraw/zinc/59/56/22/744595622.db2.gz FQEPZEYDTDHHDL-LSDHHAIUSA-N 2 2 318.421 1.078 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874376 746548881 /nfs/dbraw/zinc/54/88/81/746548881.db2.gz FSDOJFIKVKOIHB-DGCLKSJQSA-N 2 2 310.829 1.399 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876894 746554155 /nfs/dbraw/zinc/55/41/55/746554155.db2.gz CIFIYUNCVGSSKX-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001003195119 747057109 /nfs/dbraw/zinc/05/71/09/747057109.db2.gz WXUIXTQFLIHJOB-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001198258696 747431536 /nfs/dbraw/zinc/43/15/36/747431536.db2.gz ASNZPWATIYBDMQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001198258696 747431538 /nfs/dbraw/zinc/43/15/38/747431538.db2.gz ASNZPWATIYBDMQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001198258696 747431542 /nfs/dbraw/zinc/43/15/42/747431542.db2.gz ASNZPWATIYBDMQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001198258696 747431546 /nfs/dbraw/zinc/43/15/46/747431546.db2.gz ASNZPWATIYBDMQ-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004549394 748540836 /nfs/dbraw/zinc/54/08/36/748540836.db2.gz YWRPYLFXZBNCOS-JKSUJKDBSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004549394 748540844 /nfs/dbraw/zinc/54/08/44/748540844.db2.gz YWRPYLFXZBNCOS-JKSUJKDBSA-N 2 2 306.454 1.553 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524862 748541037 /nfs/dbraw/zinc/54/10/37/748541037.db2.gz MIPHCYFJRDJCTK-HOTGVXAUSA-N 2 2 320.437 1.617 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004583501 748568090 /nfs/dbraw/zinc/56/80/90/748568090.db2.gz YPLDGWDJVRCRJU-QGZVFWFLSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004583501 748568096 /nfs/dbraw/zinc/56/80/96/748568096.db2.gz YPLDGWDJVRCRJU-QGZVFWFLSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709383 752287373 /nfs/dbraw/zinc/28/73/73/752287373.db2.gz YUZDFHZJKWNFKK-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709383 752287374 /nfs/dbraw/zinc/28/73/74/752287374.db2.gz YUZDFHZJKWNFKK-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039257071 761894668 /nfs/dbraw/zinc/89/46/68/761894668.db2.gz PPPODXXPJGXMGO-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039257071 761894676 /nfs/dbraw/zinc/89/46/76/761894676.db2.gz PPPODXXPJGXMGO-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201452 748910040 /nfs/dbraw/zinc/91/00/40/748910040.db2.gz DACHBVHICLFJDM-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201452 748910046 /nfs/dbraw/zinc/91/00/46/748910046.db2.gz DACHBVHICLFJDM-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980652 749314274 /nfs/dbraw/zinc/31/42/74/749314274.db2.gz QRTUWNXKUSPTOL-BBRMVZONSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980652 749314276 /nfs/dbraw/zinc/31/42/76/749314276.db2.gz QRTUWNXKUSPTOL-BBRMVZONSA-N 2 2 314.433 1.283 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033416938 749315413 /nfs/dbraw/zinc/31/54/13/749315413.db2.gz RPPUQYUIDDXDSB-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033416938 749315418 /nfs/dbraw/zinc/31/54/18/749315418.db2.gz RPPUQYUIDDXDSB-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC1(C)C ZINC000995967538 749318311 /nfs/dbraw/zinc/31/83/11/749318311.db2.gz NWHIZACJFRPLIW-HNNXBMFYSA-N 2 2 303.406 1.645 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996071845 749359475 /nfs/dbraw/zinc/35/94/75/749359475.db2.gz FDVJXPBRJJJYIY-ZDUSSCGKSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535160 749495949 /nfs/dbraw/zinc/49/59/49/749495949.db2.gz CLNJKLYWQWERSY-INIZCTEOSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535160 749495954 /nfs/dbraw/zinc/49/59/54/749495954.db2.gz CLNJKLYWQWERSY-INIZCTEOSA-N 2 2 309.373 1.047 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694904 750150662 /nfs/dbraw/zinc/15/06/62/750150662.db2.gz DILFVRVEZLBPLJ-PVAVHDDUSA-N 2 2 308.385 1.693 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694904 750150665 /nfs/dbraw/zinc/15/06/65/750150665.db2.gz DILFVRVEZLBPLJ-PVAVHDDUSA-N 2 2 308.385 1.693 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003486 750264713 /nfs/dbraw/zinc/26/47/13/750264713.db2.gz IQZVNEBKAWGWGT-KRWDZBQOSA-N 2 2 323.400 1.437 20 30 DDEDLP 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753352345 /nfs/dbraw/zinc/35/23/45/753352345.db2.gz HJPPLOJSUITUCL-FUHWJXTLSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001107994002 753352347 /nfs/dbraw/zinc/35/23/47/753352347.db2.gz HJPPLOJSUITUCL-FUHWJXTLSA-N 2 2 323.481 1.357 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001032726339 753367415 /nfs/dbraw/zinc/36/74/15/753367415.db2.gz KCXWGNHHLHCOTC-YESZJQIVSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001032726339 753367418 /nfs/dbraw/zinc/36/74/18/753367418.db2.gz KCXWGNHHLHCOTC-YESZJQIVSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032726339 753367420 /nfs/dbraw/zinc/36/74/20/753367420.db2.gz KCXWGNHHLHCOTC-YESZJQIVSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032726339 753367423 /nfs/dbraw/zinc/36/74/23/753367423.db2.gz KCXWGNHHLHCOTC-YESZJQIVSA-N 2 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316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434263 767561848 /nfs/dbraw/zinc/56/18/48/767561848.db2.gz KTCXCXZNAJJYMK-YJBOKZPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825451 768391435 /nfs/dbraw/zinc/39/14/35/768391435.db2.gz PITHGFGJPGHWNK-RDJZCZTQSA-N 2 2 323.481 1.548 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825451 768391444 /nfs/dbraw/zinc/39/14/44/768391444.db2.gz PITHGFGJPGHWNK-RDJZCZTQSA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096345440 769299719 /nfs/dbraw/zinc/29/97/19/769299719.db2.gz YQLPFJUTNQPYSJ-KBXIAJHMSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096345440 769299725 /nfs/dbraw/zinc/29/97/25/769299725.db2.gz YQLPFJUTNQPYSJ-KBXIAJHMSA-N 2 2 311.857 1.802 20 30 DDEDLP 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/nfs/dbraw/zinc/36/60/25/776366025.db2.gz DKVBGCWGAAOZRM-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100746029 776494388 /nfs/dbraw/zinc/49/43/88/776494388.db2.gz DJYBDMWOPNJMLM-PKSQDBQZSA-N 2 2 310.829 1.825 20 30 DDEDLP C=CCOCc1nn(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001172136352 776638608 /nfs/dbraw/zinc/63/86/08/776638608.db2.gz HSEOJBFZKNYDKC-AGUYFDCRSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CCOCc1nn(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)c2c1C[NH2+]C2 ZINC001172136352 776638611 /nfs/dbraw/zinc/63/86/11/776638611.db2.gz HSEOJBFZKNYDKC-AGUYFDCRSA-N 2 2 318.421 1.223 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083027 777861953 /nfs/dbraw/zinc/86/19/53/777861953.db2.gz AYPZUALKGRXKGR-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083027 777861963 /nfs/dbraw/zinc/86/19/63/777861963.db2.gz AYPZUALKGRXKGR-GDBMZVCRSA-N 2 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ZINC001115315807 780031711 /nfs/dbraw/zinc/03/17/11/780031711.db2.gz KNDUEOJVNSGTOM-HZMVEIRTSA-N 2 2 314.433 1.307 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115315807 780031719 /nfs/dbraw/zinc/03/17/19/780031719.db2.gz KNDUEOJVNSGTOM-HZMVEIRTSA-N 2 2 314.433 1.307 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115602849 780262637 /nfs/dbraw/zinc/26/26/37/780262637.db2.gz GNEWVDXAUWQUBR-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001266391959 836199252 /nfs/dbraw/zinc/19/92/52/836199252.db2.gz ASRGGLYCCBCLLO-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266391959 836199255 /nfs/dbraw/zinc/19/92/55/836199255.db2.gz ASRGGLYCCBCLLO-QGZVFWFLSA-N 2 2 321.465 1.043 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267725252 838747195 /nfs/dbraw/zinc/74/71/95/838747195.db2.gz 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C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001269474286 841673853 /nfs/dbraw/zinc/67/38/53/841673853.db2.gz CLTAWYVTIDWIAO-OAHLLOKOSA-N 2 2 307.438 1.054 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001269474286 841673862 /nfs/dbraw/zinc/67/38/62/841673862.db2.gz CLTAWYVTIDWIAO-OAHLLOKOSA-N 2 2 307.438 1.054 20 30 DDEDLP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812993 842072503 /nfs/dbraw/zinc/07/25/03/842072503.db2.gz ZUCPKYWBLWFEIO-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001269980244 842199238 /nfs/dbraw/zinc/19/92/38/842199238.db2.gz FCWNIJNZUULTFX-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271219800 843421359 /nfs/dbraw/zinc/42/13/59/843421359.db2.gz JKEIZALLGKFCJY-SUMWQHHRSA-N 2 2 320.437 1.168 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271219800 843421364 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ZINC001158149112 864456850 /nfs/dbraw/zinc/45/68/50/864456850.db2.gz VCTHBNMLGHHFMM-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158249061 864510823 /nfs/dbraw/zinc/51/08/23/864510823.db2.gz DCFDDEKLUXCSON-HUUCEWRRSA-N 2 2 302.422 1.436 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001332329790 865765954 /nfs/dbraw/zinc/76/59/54/865765954.db2.gz QUPPVERPWBUGSV-GJZGRUSLSA-N 2 2 304.438 1.803 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356172 866584068 /nfs/dbraw/zinc/58/40/68/866584068.db2.gz DPYHMHONBFMOQP-MRXNPFEDSA-N 2 2 314.433 1.996 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356172 866584077 /nfs/dbraw/zinc/58/40/77/866584077.db2.gz DPYHMHONBFMOQP-MRXNPFEDSA-N 2 2 314.433 1.996 20 30 DDEDLP C=C(C)CC[NH2+]C/C=C/CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001321066083 867282527 /nfs/dbraw/zinc/28/25/27/867282527.db2.gz FPRDJTKPJYCKNL-SNAWJCMRSA-N 2 2 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318.421 1.009 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230940175 885066643 /nfs/dbraw/zinc/06/66/43/885066643.db2.gz QHQHQRYYVQTORO-UHFFFAOYSA-N 2 2 313.405 1.473 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230940175 885066656 /nfs/dbraw/zinc/06/66/56/885066656.db2.gz QHQHQRYYVQTORO-UHFFFAOYSA-N 2 2 313.405 1.473 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001277618757 886117224 /nfs/dbraw/zinc/11/72/24/886117224.db2.gz ZRIOZBXXVJUTML-ZDUSSCGKSA-N 2 2 320.437 1.847 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001246307247 892530542 /nfs/dbraw/zinc/53/05/42/892530542.db2.gz LMHDHTWHKRZNEL-HOTGVXAUSA-N 3 2 309.454 1.287 20 30 DDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246546705 892689208 /nfs/dbraw/zinc/68/92/08/892689208.db2.gz DSNXVMIKWRVANQ-DOTOQJQBSA-N 2 2 307.438 1.849 20 30 DDEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246546705 892689214 /nfs/dbraw/zinc/68/92/14/892689214.db2.gz DSNXVMIKWRVANQ-DOTOQJQBSA-N 2 2 307.438 1.849 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278562980 894250112 /nfs/dbraw/zinc/25/01/12/894250112.db2.gz UPKXYNZHQCGPAR-RHSMWYFYSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278562980 894250128 /nfs/dbraw/zinc/25/01/28/894250128.db2.gz UPKXYNZHQCGPAR-RHSMWYFYSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001252463139 895172548 /nfs/dbraw/zinc/17/25/48/895172548.db2.gz LRSQPWNDZGHCCF-KZNAEPCWSA-N 2 2 317.433 1.009 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001252550032 895265440 /nfs/dbraw/zinc/26/54/40/895265440.db2.gz JEWFIUKEKZHMJD-KRWDZBQOSA-N 2 2 318.465 1.788 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001252550032 895265452 /nfs/dbraw/zinc/26/54/52/895265452.db2.gz JEWFIUKEKZHMJD-KRWDZBQOSA-N 2 2 318.465 1.788 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001263868837 900785112 /nfs/dbraw/zinc/78/51/12/900785112.db2.gz WNLNMHHKRXMYDN-JCNLHEQBSA-N 2 2 322.412 1.994 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390364 901960556 /nfs/dbraw/zinc/96/05/56/901960556.db2.gz DEYMJRKZZGHHHK-CVEARBPZSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390364 901960572 /nfs/dbraw/zinc/96/05/72/901960572.db2.gz DEYMJRKZZGHHHK-CVEARBPZSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265625995 902218341 /nfs/dbraw/zinc/21/83/41/902218341.db2.gz MDRJKVLHMJAIIW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265625995 902218352 /nfs/dbraw/zinc/21/83/52/902218352.db2.gz MDRJKVLHMJAIIW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001280391960 903627678 /nfs/dbraw/zinc/62/76/78/903627678.db2.gz KIOVFWLSYQQSJN-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001392786600 905256695 /nfs/dbraw/zinc/25/66/95/905256695.db2.gz UKCNPRLPZAUQTQ-UKRRQHHQSA-N 2 2 322.840 1.682 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155780 905583740 /nfs/dbraw/zinc/58/37/40/905583740.db2.gz JDVPQOKXFMTHMT-KBPBESRZSA-N 2 2 316.405 1.633 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961826 353640184 /nfs/dbraw/zinc/64/01/84/353640184.db2.gz WNZMQMUIXRJRFK-LSDHHAIUSA-N 2 2 309.373 1.687 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961826 353640185 /nfs/dbraw/zinc/64/01/85/353640185.db2.gz WNZMQMUIXRJRFK-LSDHHAIUSA-N 2 2 309.373 1.687 20 30 DDEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734057 355373880 /nfs/dbraw/zinc/37/38/80/355373880.db2.gz ZIEFKMBPCQILKW-HOTGVXAUSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591734057 355373883 /nfs/dbraw/zinc/37/38/83/355373883.db2.gz ZIEFKMBPCQILKW-HOTGVXAUSA-N 2 2 303.406 1.176 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594009396 356086230 /nfs/dbraw/zinc/08/62/30/356086230.db2.gz IUCWTXXLXZRGRU-OAHLLOKOSA-N 2 2 315.421 1.402 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000594440571 356215645 /nfs/dbraw/zinc/21/56/45/356215645.db2.gz FNVBCWBPWPVZPH-OAHLLOKOSA-N 2 2 320.462 1.804 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629900 356584819 /nfs/dbraw/zinc/58/48/19/356584819.db2.gz PTGCVIDCGMHOMI-UHFFFAOYSA-N 2 2 301.419 1.947 20 30 DDEDLP N#Cc1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595866301 356683726 /nfs/dbraw/zinc/68/37/26/356683726.db2.gz JVFNJXDVIIQLHL-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595866301 356683730 /nfs/dbraw/zinc/68/37/30/356683730.db2.gz JVFNJXDVIIQLHL-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(C#N)c1 ZINC000596452966 356884799 /nfs/dbraw/zinc/88/47/99/356884799.db2.gz GADYXEMOTJERRC-UHFFFAOYSA-N 2 2 303.410 1.563 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(C#N)c1 ZINC000596452966 356884801 /nfs/dbraw/zinc/88/48/01/356884801.db2.gz GADYXEMOTJERRC-UHFFFAOYSA-N 2 2 303.410 1.563 20 30 DDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598617865 357655201 /nfs/dbraw/zinc/65/52/01/357655201.db2.gz ICSSJDGXSCRULJ-OAHLLOKOSA-N 2 2 302.422 1.813 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600750020 358306615 /nfs/dbraw/zinc/30/66/15/358306615.db2.gz TWQPKGUFYAGJLZ-CABCVRRESA-N 2 2 309.454 1.520 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600750020 358306618 /nfs/dbraw/zinc/30/66/18/358306618.db2.gz TWQPKGUFYAGJLZ-CABCVRRESA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000602675921 359119193 /nfs/dbraw/zinc/11/91/93/359119193.db2.gz XBPQIFFTKZHZAX-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000602675921 359119196 /nfs/dbraw/zinc/11/91/96/359119196.db2.gz XBPQIFFTKZHZAX-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C ZINC000566496120 304163879 /nfs/dbraw/zinc/16/38/79/304163879.db2.gz BAUVWBXNKISJMO-QGZVFWFLSA-N 2 2 323.400 1.491 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000156790011 197140245 /nfs/dbraw/zinc/14/02/45/197140245.db2.gz JAVRVGMDSUKDEW-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000156790011 197140247 /nfs/dbraw/zinc/14/02/47/197140247.db2.gz JAVRVGMDSUKDEW-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C#CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155494283 197059798 /nfs/dbraw/zinc/05/97/98/197059798.db2.gz OELPVGPAIYBXBE-UHFFFAOYSA-N 2 2 302.418 1.587 20 30 DDEDLP C#CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155494283 197059799 /nfs/dbraw/zinc/05/97/99/197059799.db2.gz OELPVGPAIYBXBE-UHFFFAOYSA-N 2 2 302.418 1.587 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000124019464 407345175 /nfs/dbraw/zinc/34/51/75/407345175.db2.gz RXSANWOFLKLCTF-DOTOQJQBSA-N 2 2 314.433 1.638 20 30 DDEDLP CN(C)C(=[NH+]CC[NH+]1CCN(c2ccc(F)cc2)CC1)N(C)C ZINC000104170713 407348732 /nfs/dbraw/zinc/34/87/32/407348732.db2.gz KIPBSTUWUCWNDV-UHFFFAOYSA-N 2 2 321.444 1.427 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000170910093 407550916 /nfs/dbraw/zinc/55/09/16/407550916.db2.gz DVGUDORKWCWILU-UHFFFAOYSA-N 2 2 301.419 1.928 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000170910093 407550923 /nfs/dbraw/zinc/55/09/23/407550923.db2.gz DVGUDORKWCWILU-UHFFFAOYSA-N 2 2 301.419 1.928 20 30 DDEDLP NC(=[NH+]O[C@@H]1CCNC1=O)c1ccccc1C[NH+]1CCCCC1 ZINC000269310565 408263282 /nfs/dbraw/zinc/26/32/82/408263282.db2.gz VLODQOQVORPJKL-OAHLLOKOSA-N 2 2 316.405 1.198 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000270632679 408611682 /nfs/dbraw/zinc/61/16/82/408611682.db2.gz LVHFKTZVCHCAOL-UHFFFAOYSA-N 2 2 310.405 1.671 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265553116 408691083 /nfs/dbraw/zinc/69/10/83/408691083.db2.gz ZAAXUSOHNKRMLU-INIZCTEOSA-N 2 2 303.410 1.644 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000316860477 164024463 /nfs/dbraw/zinc/02/44/63/164024463.db2.gz SYAXGBJFOSNKKW-HZPDHXFCSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000316860477 164024465 /nfs/dbraw/zinc/02/44/65/164024465.db2.gz SYAXGBJFOSNKKW-HZPDHXFCSA-N 2 2 301.390 1.520 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000297640231 409938646 /nfs/dbraw/zinc/93/86/46/409938646.db2.gz ZANHCHPAUQPVGB-AWEZNQCLSA-N 2 2 303.410 1.601 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000297640231 409938654 /nfs/dbraw/zinc/93/86/54/409938654.db2.gz ZANHCHPAUQPVGB-AWEZNQCLSA-N 2 2 303.410 1.601 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000328873385 410000201 /nfs/dbraw/zinc/00/02/01/410000201.db2.gz RAQMLTLLMRHIBS-ZDUSSCGKSA-N 2 2 323.466 1.172 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000329277173 410206744 /nfs/dbraw/zinc/20/67/44/410206744.db2.gz JFKZXUQKLIXTFZ-CQSZACIVSA-N 2 2 323.441 1.123 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000329277173 410206752 /nfs/dbraw/zinc/20/67/52/410206752.db2.gz JFKZXUQKLIXTFZ-CQSZACIVSA-N 2 2 323.441 1.123 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(C)COC3)CC2)CC1 ZINC000329405356 410277921 /nfs/dbraw/zinc/27/79/21/410277921.db2.gz BRDFWZLXPNEMDI-UHFFFAOYSA-N 2 2 324.469 1.085 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000329441107 410298206 /nfs/dbraw/zinc/29/82/06/410298206.db2.gz BFWCRMNNFBYACD-GJZGRUSLSA-N 2 2 324.469 1.370 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000329441107 410298210 /nfs/dbraw/zinc/29/82/10/410298210.db2.gz BFWCRMNNFBYACD-GJZGRUSLSA-N 2 2 324.469 1.370 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000329441107 410298216 /nfs/dbraw/zinc/29/82/16/410298216.db2.gz BFWCRMNNFBYACD-GJZGRUSLSA-N 2 2 324.469 1.370 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000329441107 410298222 /nfs/dbraw/zinc/29/82/22/410298222.db2.gz BFWCRMNNFBYACD-GJZGRUSLSA-N 2 2 324.469 1.370 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000245441261 222216088 /nfs/dbraw/zinc/21/60/88/222216088.db2.gz HELINMVRHCSRSK-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000245441261 222216092 /nfs/dbraw/zinc/21/60/92/222216092.db2.gz HELINMVRHCSRSK-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC[C@H]1CCOC1 ZINC000262862736 222297662 /nfs/dbraw/zinc/29/76/62/222297662.db2.gz ZQWJNJGHXHBEDQ-CYBMUJFWSA-N 2 2 322.478 1.308 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC[C@H]1CCOC1 ZINC000262862736 222297664 /nfs/dbraw/zinc/29/76/64/222297664.db2.gz ZQWJNJGHXHBEDQ-CYBMUJFWSA-N 2 2 322.478 1.308 20 30 DDEDLP C#CCNC(NCC1([NH+]2CCOCC2)CCCCC1)=[NH+]CC ZINC000263246996 222306089 /nfs/dbraw/zinc/30/60/89/222306089.db2.gz NFXGLOJCFMVUMN-UHFFFAOYSA-N 2 2 306.454 1.210 20 30 DDEDLP CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267001869 222366353 /nfs/dbraw/zinc/36/63/53/222366353.db2.gz HPKYLIIHXIYEPA-LBPRGKRZSA-N 2 2 306.410 1.300 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000377262497 418707802 /nfs/dbraw/zinc/70/78/02/418707802.db2.gz PREJHFWLPWPVSW-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000377262497 418707804 /nfs/dbraw/zinc/70/78/04/418707804.db2.gz PREJHFWLPWPVSW-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](CC#Cc3ccccc3)CC2)C(=O)C1 ZINC000368992715 418728464 /nfs/dbraw/zinc/72/84/64/418728464.db2.gz ZPNFZIKGHCFVPX-UHFFFAOYSA-N 2 2 311.429 1.277 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](CC#Cc3ccccc3)CC2)C(=O)C1 ZINC000368992715 418728469 /nfs/dbraw/zinc/72/84/69/418728469.db2.gz ZPNFZIKGHCFVPX-UHFFFAOYSA-N 2 2 311.429 1.277 20 30 DDEDLP C=CCN(CC=C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372333 418733123 /nfs/dbraw/zinc/73/31/23/418733123.db2.gz IECDZGJTLNYZAE-HNNXBMFYSA-N 2 2 306.454 1.539 20 30 DDEDLP C=CCN(CC=C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372333 418733125 /nfs/dbraw/zinc/73/31/25/418733125.db2.gz IECDZGJTLNYZAE-HNNXBMFYSA-N 2 2 306.454 1.539 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCC#N)C2)CC1 ZINC000369369953 418733198 /nfs/dbraw/zinc/73/31/98/418733198.db2.gz LMJDOWYZFVPSJL-CQSZACIVSA-N 2 2 307.442 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCC#N)C2)CC1 ZINC000369369953 418733200 /nfs/dbraw/zinc/73/32/00/418733200.db2.gz LMJDOWYZFVPSJL-CQSZACIVSA-N 2 2 307.442 1.148 20 30 DDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000362037898 418743563 /nfs/dbraw/zinc/74/35/63/418743563.db2.gz JTVUFOZXQASPAW-VQHPVUNQSA-N 2 2 309.454 1.784 20 30 DDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000362037898 418743565 /nfs/dbraw/zinc/74/35/65/418743565.db2.gz JTVUFOZXQASPAW-VQHPVUNQSA-N 2 2 309.454 1.784 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362393501 418754259 /nfs/dbraw/zinc/75/42/59/418754259.db2.gz NPKYBDQPVXJILT-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362393501 418754260 /nfs/dbraw/zinc/75/42/60/418754260.db2.gz NPKYBDQPVXJILT-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362393501 418754262 /nfs/dbraw/zinc/75/42/62/418754262.db2.gz NPKYBDQPVXJILT-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000362393501 418754263 /nfs/dbraw/zinc/75/42/63/418754263.db2.gz NPKYBDQPVXJILT-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000517583291 421619020 /nfs/dbraw/zinc/61/90/20/421619020.db2.gz IUBICMFKGLHDFA-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013942 422476708 /nfs/dbraw/zinc/47/67/08/422476708.db2.gz OHLWYSDQKNCWBS-HNNXBMFYSA-N 2 2 324.432 1.765 20 30 DDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013942 422476715 /nfs/dbraw/zinc/47/67/15/422476715.db2.gz OHLWYSDQKNCWBS-HNNXBMFYSA-N 2 2 324.432 1.765 20 30 DDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013942 422476720 /nfs/dbraw/zinc/47/67/20/422476720.db2.gz OHLWYSDQKNCWBS-HNNXBMFYSA-N 2 2 324.432 1.765 20 30 DDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013942 422476727 /nfs/dbraw/zinc/47/67/27/422476727.db2.gz OHLWYSDQKNCWBS-HNNXBMFYSA-N 2 2 324.432 1.765 20 30 DDEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662081532 424379871 /nfs/dbraw/zinc/37/98/71/424379871.db2.gz UMGHKFDQVOMXAC-IYBDPMFKSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662081532 424379877 /nfs/dbraw/zinc/37/98/77/424379877.db2.gz UMGHKFDQVOMXAC-IYBDPMFKSA-N 2 2 321.465 1.396 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264060895 276184305 /nfs/dbraw/zinc/18/43/05/276184305.db2.gz CUQVOXJGIUNJIL-KBPBESRZSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264060895 276184306 /nfs/dbraw/zinc/18/43/06/276184306.db2.gz CUQVOXJGIUNJIL-KBPBESRZSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910039 279039991 /nfs/dbraw/zinc/03/99/91/279039991.db2.gz OIZYRUOUSYPBKJ-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910039 279039992 /nfs/dbraw/zinc/03/99/92/279039992.db2.gz OIZYRUOUSYPBKJ-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910039 279039993 /nfs/dbraw/zinc/03/99/93/279039993.db2.gz OIZYRUOUSYPBKJ-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910039 279039997 /nfs/dbraw/zinc/03/99/97/279039997.db2.gz OIZYRUOUSYPBKJ-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429009257 280103398 /nfs/dbraw/zinc/10/33/98/280103398.db2.gz NVNLKNWSSYRZQW-OIISXLGYSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429009257 280103400 /nfs/dbraw/zinc/10/34/00/280103400.db2.gz NVNLKNWSSYRZQW-OIISXLGYSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429009257 280103401 /nfs/dbraw/zinc/10/34/01/280103401.db2.gz NVNLKNWSSYRZQW-OIISXLGYSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429009257 280103404 /nfs/dbraw/zinc/10/34/04/280103404.db2.gz NVNLKNWSSYRZQW-OIISXLGYSA-N 2 2 306.454 1.457 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100331 292765426 /nfs/dbraw/zinc/76/54/26/292765426.db2.gz MQZOADGWEDCQDR-DOMZBBRYSA-N 2 2 308.426 1.237 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000365736280 333453681 /nfs/dbraw/zinc/45/36/81/333453681.db2.gz NQDSMTHZGRQYFF-IXDOHACOSA-N 2 2 306.454 1.065 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798789 341276188 /nfs/dbraw/zinc/27/61/88/341276188.db2.gz CSCIPIQCEQWFCO-CYBMUJFWSA-N 2 2 301.394 1.039 20 30 DDEDLP N#CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548798789 341276189 /nfs/dbraw/zinc/27/61/89/341276189.db2.gz CSCIPIQCEQWFCO-CYBMUJFWSA-N 2 2 301.394 1.039 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096357 341279652 /nfs/dbraw/zinc/27/96/52/341279652.db2.gz YEBUGDHDBGIESK-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096357 341279653 /nfs/dbraw/zinc/27/96/53/341279653.db2.gz YEBUGDHDBGIESK-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096357 341279654 /nfs/dbraw/zinc/27/96/54/341279654.db2.gz YEBUGDHDBGIESK-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096357 341279655 /nfs/dbraw/zinc/27/96/55/341279655.db2.gz YEBUGDHDBGIESK-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304155 484795176 /nfs/dbraw/zinc/79/51/76/484795176.db2.gz MOHXBBYXQJBPBS-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2SCC)CC1 ZINC000490719977 526949633 /nfs/dbraw/zinc/94/96/33/526949633.db2.gz PIGAKKLXFBEFGR-HZPDHXFCSA-N 2 2 323.506 1.418 20 30 DDEDLP CCN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960146 529108038 /nfs/dbraw/zinc/10/80/38/529108038.db2.gz NTKVMVCFZNCPMB-CQSZACIVSA-N 2 2 320.441 1.097 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980210358 696708715 /nfs/dbraw/zinc/70/87/15/696708715.db2.gz XTLOWMMKZSJZFR-JYJNAYRXSA-N 2 2 314.433 1.203 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980210358 696708716 /nfs/dbraw/zinc/70/87/16/696708716.db2.gz XTLOWMMKZSJZFR-JYJNAYRXSA-N 2 2 314.433 1.203 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980228054 696713094 /nfs/dbraw/zinc/71/30/94/696713094.db2.gz FQXUAWMIYIYKNK-ARFHVFGLSA-N 2 2 314.433 1.501 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980228054 696713095 /nfs/dbraw/zinc/71/30/95/696713095.db2.gz FQXUAWMIYIYKNK-ARFHVFGLSA-N 2 2 314.433 1.501 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980229031 696713640 /nfs/dbraw/zinc/71/36/40/696713640.db2.gz NHOJFNMWJPEAJT-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980229031 696713643 /nfs/dbraw/zinc/71/36/43/696713643.db2.gz NHOJFNMWJPEAJT-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274202 696725196 /nfs/dbraw/zinc/72/51/96/696725196.db2.gz MZADIVZKRXCSHS-XHSDSOJGSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274202 696725199 /nfs/dbraw/zinc/72/51/99/696725199.db2.gz MZADIVZKRXCSHS-XHSDSOJGSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972657379 695311513 /nfs/dbraw/zinc/31/15/13/695311513.db2.gz RBAXOAACRVALQL-KRWDZBQOSA-N 2 2 308.385 1.652 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000972657379 695311515 /nfs/dbraw/zinc/31/15/15/695311515.db2.gz RBAXOAACRVALQL-KRWDZBQOSA-N 2 2 308.385 1.652 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000974685937 695711552 /nfs/dbraw/zinc/71/15/52/695711552.db2.gz MOMMKZVKWRMOIJ-HOTGVXAUSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000974685937 695711553 /nfs/dbraw/zinc/71/15/53/695711553.db2.gz MOMMKZVKWRMOIJ-HOTGVXAUSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC000974685937 695711555 /nfs/dbraw/zinc/71/15/55/695711555.db2.gz MOMMKZVKWRMOIJ-HOTGVXAUSA-N 2 2 303.450 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC000974685937 695711556 /nfs/dbraw/zinc/71/15/56/695711556.db2.gz MOMMKZVKWRMOIJ-HOTGVXAUSA-N 2 2 303.450 1.321 20 30 DDEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977657803 696246482 /nfs/dbraw/zinc/24/64/82/696246482.db2.gz UANWHJVZJSAKAR-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977657803 696246483 /nfs/dbraw/zinc/24/64/83/696246483.db2.gz UANWHJVZJSAKAR-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657803 696246484 /nfs/dbraw/zinc/24/64/84/696246484.db2.gz UANWHJVZJSAKAR-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657803 696246485 /nfs/dbraw/zinc/24/64/85/696246485.db2.gz UANWHJVZJSAKAR-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000104160721 696619058 /nfs/dbraw/zinc/61/90/58/696619058.db2.gz VJUZODAUZCBAHQ-CVEARBPZSA-N 2 2 309.502 1.305 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982041803 697012210 /nfs/dbraw/zinc/01/22/10/697012210.db2.gz AHSPHMUIVZONOU-OAHLLOKOSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982041803 697012213 /nfs/dbraw/zinc/01/22/13/697012213.db2.gz AHSPHMUIVZONOU-OAHLLOKOSA-N 2 2 300.406 1.392 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061106 697018837 /nfs/dbraw/zinc/01/88/37/697018837.db2.gz LFSGJEDHFAZPMJ-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061106 697018840 /nfs/dbraw/zinc/01/88/40/697018840.db2.gz LFSGJEDHFAZPMJ-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061106 697018843 /nfs/dbraw/zinc/01/88/43/697018843.db2.gz LFSGJEDHFAZPMJ-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061106 697018846 /nfs/dbraw/zinc/01/88/46/697018846.db2.gz LFSGJEDHFAZPMJ-AWEZNQCLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135639 697038996 /nfs/dbraw/zinc/03/89/96/697038996.db2.gz NYHFLOMUQFOHTR-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135639 697038997 /nfs/dbraw/zinc/03/89/97/697038997.db2.gz NYHFLOMUQFOHTR-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135477 697039309 /nfs/dbraw/zinc/03/93/09/697039309.db2.gz JLZZNGFELGFQQB-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000982135477 697039310 /nfs/dbraw/zinc/03/93/10/697039310.db2.gz JLZZNGFELGFQQB-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269215 697078739 /nfs/dbraw/zinc/07/87/39/697078739.db2.gz PALDRPVKFPQNRE-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269215 697078741 /nfs/dbraw/zinc/07/87/41/697078741.db2.gz PALDRPVKFPQNRE-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(F)cc1N(C)C ZINC000799489376 700145288 /nfs/dbraw/zinc/14/52/88/700145288.db2.gz SDTOADAQLYREID-UHFFFAOYSA-N 2 2 322.428 1.928 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985515794 697523694 /nfs/dbraw/zinc/52/36/94/697523694.db2.gz NMUTUWZPZNHYID-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985515794 697523696 /nfs/dbraw/zinc/52/36/96/697523696.db2.gz NMUTUWZPZNHYID-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987068912 697984235 /nfs/dbraw/zinc/98/42/35/697984235.db2.gz PCPSXIJKQPRNBA-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565177 698152190 /nfs/dbraw/zinc/15/21/90/698152190.db2.gz DMQXUXYTRGMUME-HIFRSBDPSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987565177 698152193 /nfs/dbraw/zinc/15/21/93/698152193.db2.gz DMQXUXYTRGMUME-HIFRSBDPSA-N 2 2 317.458 1.318 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989486825 698640842 /nfs/dbraw/zinc/64/08/42/698640842.db2.gz GOZZKJXVWINTGF-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP N#CCCNC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031340 698799740 /nfs/dbraw/zinc/79/97/40/698799740.db2.gz RKXGLUMVEZCPOD-UHFFFAOYSA-N 2 2 303.410 1.405 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763241525 700930988 /nfs/dbraw/zinc/93/09/88/700930988.db2.gz PJUOZHYYVYVSCW-QZTJIDSGSA-N 2 2 317.433 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DDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+])c(OC)c1 ZINC000923289071 714298665 /nfs/dbraw/zinc/29/86/65/714298665.db2.gz FFBKMYHUAYBIOP-UKRRQHHQSA-N 2 2 308.422 1.442 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000964030477 717971666 /nfs/dbraw/zinc/97/16/66/717971666.db2.gz OLHLUVRQLDRRSR-UHFFFAOYSA-N 2 2 314.433 1.577 20 30 DDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000957285936 715816111 /nfs/dbraw/zinc/81/61/11/715816111.db2.gz JUNRZXCDMZXJKO-UHFFFAOYSA-N 2 2 302.422 1.870 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960544251 716604712 /nfs/dbraw/zinc/60/47/12/716604712.db2.gz AQVYZVFJZIMMNX-HALDLXJZSA-N 2 2 301.390 1.255 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960544251 716604718 /nfs/dbraw/zinc/60/47/18/716604718.db2.gz AQVYZVFJZIMMNX-HALDLXJZSA-N 2 2 301.390 1.255 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 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719588703 /nfs/dbraw/zinc/58/87/03/719588703.db2.gz XYOUVPCNPMGNCA-OAHLLOKOSA-N 2 2 310.401 1.894 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970102925 720626894 /nfs/dbraw/zinc/62/68/94/720626894.db2.gz GSOQKICKLSANIX-OAHLLOKOSA-N 2 2 309.373 1.215 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970324357 720710465 /nfs/dbraw/zinc/71/04/65/720710465.db2.gz WJKDGFJUPOMBJR-YOEHRIQHSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970324357 720710467 /nfs/dbraw/zinc/71/04/67/720710467.db2.gz WJKDGFJUPOMBJR-YOEHRIQHSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425952 720757504 /nfs/dbraw/zinc/75/75/04/720757504.db2.gz CISOPSPRCCUWEP-CYBMUJFWSA-N 2 2 318.421 1.507 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585816 735327847 /nfs/dbraw/zinc/32/78/47/735327847.db2.gz NBLSKOVTZABWAV-GJZGRUSLSA-N 2 2 314.433 1.681 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585816 735327849 /nfs/dbraw/zinc/32/78/49/735327849.db2.gz NBLSKOVTZABWAV-GJZGRUSLSA-N 2 2 314.433 1.681 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026365574 737426141 /nfs/dbraw/zinc/42/61/41/737426141.db2.gz YDFQGAWLPKUMMU-MRVWCRGKSA-N 2 2 308.813 1.531 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167603 732796639 /nfs/dbraw/zinc/79/66/39/732796639.db2.gz MJICJIZEBNYJHG-CYBMUJFWSA-N 2 2 302.422 1.892 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646413 733399655 /nfs/dbraw/zinc/39/96/55/733399655.db2.gz ORHBMKUTLUVASY-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021646413 733399658 /nfs/dbraw/zinc/39/96/58/733399658.db2.gz ORHBMKUTLUVASY-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167508457 734637404 /nfs/dbraw/zinc/63/74/04/734637404.db2.gz HTAWAIWQGDCQIB-UHFFFAOYSA-N 2 2 323.481 1.694 20 30 DDEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468670 735042166 /nfs/dbraw/zinc/04/21/66/735042166.db2.gz OPTJOFZJJPXMNA-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001023424467 735226842 /nfs/dbraw/zinc/22/68/42/735226842.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001023424467 735226846 /nfs/dbraw/zinc/22/68/46/735226846.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=C)Cl)C1 ZINC001023424467 735226850 /nfs/dbraw/zinc/22/68/50/735226850.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=C)Cl)C1 ZINC001023424467 735226854 /nfs/dbraw/zinc/22/68/54/735226854.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 2 323.868 1.665 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512076 735887339 /nfs/dbraw/zinc/88/73/39/735887339.db2.gz QWAUITINTFATCQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512076 735887343 /nfs/dbraw/zinc/88/73/43/735887343.db2.gz QWAUITINTFATCQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514991 735891031 /nfs/dbraw/zinc/89/10/31/735891031.db2.gz JUSBMKICDOEJHT-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514991 735891039 /nfs/dbraw/zinc/89/10/39/735891039.db2.gz JUSBMKICDOEJHT-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624284 735989727 /nfs/dbraw/zinc/98/97/27/735989727.db2.gz NXNRUDHCHHNTIN-MRXNPFEDSA-N 2 2 317.433 1.949 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624284 735989731 /nfs/dbraw/zinc/98/97/31/735989731.db2.gz NXNRUDHCHHNTIN-MRXNPFEDSA-N 2 2 317.433 1.949 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026252459 737249857 /nfs/dbraw/zinc/24/98/57/737249857.db2.gz RHEPFXPJXFBUMA-MELADBBJSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488135 737678282 /nfs/dbraw/zinc/67/82/82/737678282.db2.gz NKISQYDQGXOABY-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488135 737678286 /nfs/dbraw/zinc/67/82/86/737678286.db2.gz NKISQYDQGXOABY-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038704116 738120388 /nfs/dbraw/zinc/12/03/88/738120388.db2.gz LUFKGNOLCDOOCE-CYBMUJFWSA-N 2 2 304.394 1.261 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038704116 738120391 /nfs/dbraw/zinc/12/03/91/738120391.db2.gz LUFKGNOLCDOOCE-CYBMUJFWSA-N 2 2 304.394 1.261 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027982734 738906210 /nfs/dbraw/zinc/90/62/10/738906210.db2.gz XETKUDCUVJFQHA-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027982734 738906213 /nfs/dbraw/zinc/90/62/13/738906213.db2.gz XETKUDCUVJFQHA-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027982734 738906216 /nfs/dbraw/zinc/90/62/16/738906216.db2.gz XETKUDCUVJFQHA-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001027982734 738906218 /nfs/dbraw/zinc/90/62/18/738906218.db2.gz XETKUDCUVJFQHA-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640927 739834515 /nfs/dbraw/zinc/83/45/15/739834515.db2.gz YFURBVKDYQTJAL-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640927 739834520 /nfs/dbraw/zinc/83/45/20/739834520.db2.gz YFURBVKDYQTJAL-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640927 739834526 /nfs/dbraw/zinc/83/45/26/739834526.db2.gz YFURBVKDYQTJAL-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640927 739834532 /nfs/dbraw/zinc/83/45/32/739834532.db2.gz YFURBVKDYQTJAL-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028813597 740072840 /nfs/dbraw/zinc/07/28/40/740072840.db2.gz JERDWNQESZKMRT-MGPQQGTHSA-N 2 2 322.840 1.714 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028813597 740072841 /nfs/dbraw/zinc/07/28/41/740072841.db2.gz JERDWNQESZKMRT-MGPQQGTHSA-N 2 2 322.840 1.714 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)s1 ZINC001126436844 740111343 /nfs/dbraw/zinc/11/13/43/740111343.db2.gz NZYOIXHKSLBGCS-UHFFFAOYSA-N 2 2 303.391 1.181 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882232 741653202 /nfs/dbraw/zinc/65/32/02/741653202.db2.gz BLQXWRZFWDFFBC-HRCADAONSA-N 2 2 312.417 1.317 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882232 741653203 /nfs/dbraw/zinc/65/32/03/741653203.db2.gz BLQXWRZFWDFFBC-HRCADAONSA-N 2 2 312.417 1.317 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001182719012 743697026 /nfs/dbraw/zinc/69/70/26/743697026.db2.gz LEVIDPCBPMWKLQ-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185787347 744286178 /nfs/dbraw/zinc/28/61/78/744286178.db2.gz FQJZUGVAKJVCCT-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788550 744286219 /nfs/dbraw/zinc/28/62/19/744286219.db2.gz ONRHNHXBRVTTOW-CVEARBPZSA-N 2 2 302.422 1.371 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187988939 744643851 /nfs/dbraw/zinc/64/38/51/744643851.db2.gz URVSFDHAJDKLGB-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487381 745224229 /nfs/dbraw/zinc/22/42/29/745224229.db2.gz ZNSGEOLPKMZTSY-ZWKOTPCHSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487381 745224235 /nfs/dbraw/zinc/22/42/35/745224235.db2.gz ZNSGEOLPKMZTSY-ZWKOTPCHSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487381 745224240 /nfs/dbraw/zinc/22/42/40/745224240.db2.gz ZNSGEOLPKMZTSY-ZWKOTPCHSA-N 2 2 311.429 1.284 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487381 745224242 /nfs/dbraw/zinc/22/42/42/745224242.db2.gz ZNSGEOLPKMZTSY-ZWKOTPCHSA-N 2 2 311.429 1.284 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000992861307 745256823 /nfs/dbraw/zinc/25/68/23/745256823.db2.gz VUXRVACTYJQREQ-CWRNSKLLSA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992924009 745294023 /nfs/dbraw/zinc/29/40/23/745294023.db2.gz KIJWQXQIEPWPBA-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479506 745737328 /nfs/dbraw/zinc/73/73/28/745737328.db2.gz CYPKDBTZKWWMID-BRWVUGGUSA-N 2 2 323.481 1.357 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479506 745737333 /nfs/dbraw/zinc/73/73/33/745737333.db2.gz CYPKDBTZKWWMID-BRWVUGGUSA-N 2 2 323.481 1.357 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238846 745983492 /nfs/dbraw/zinc/98/34/92/745983492.db2.gz FAKRVQKCHLPHJJ-GJZGRUSLSA-N 2 2 300.406 1.314 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993581584 746214701 /nfs/dbraw/zinc/21/47/01/746214701.db2.gz XXADYTDFTOSDMO-GOEBONIOSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993581584 746214702 /nfs/dbraw/zinc/21/47/02/746214702.db2.gz XXADYTDFTOSDMO-GOEBONIOSA-N 2 2 323.400 1.483 20 30 DDEDLP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001197043103 747033584 /nfs/dbraw/zinc/03/35/84/747033584.db2.gz BOGSJZVYGJCMRQ-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001197043103 747033591 /nfs/dbraw/zinc/03/35/91/747033591.db2.gz BOGSJZVYGJCMRQ-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001003180116 747037829 /nfs/dbraw/zinc/03/78/29/747037829.db2.gz NTRVOFNNCQEUPO-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201335131 748488727 /nfs/dbraw/zinc/48/87/27/748488727.db2.gz IEZQKQNSEBMYDU-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201856377 748612105 /nfs/dbraw/zinc/61/21/05/748612105.db2.gz KCFAAHFNXBNBQL-CQSZACIVSA-N 2 2 320.437 1.471 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726918 752296076 /nfs/dbraw/zinc/29/60/76/752296076.db2.gz NMTXUMULHYAORO-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726918 752296077 /nfs/dbraw/zinc/29/60/77/752296077.db2.gz NMTXUMULHYAORO-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128650 748717310 /nfs/dbraw/zinc/71/73/10/748717310.db2.gz JDAODQJWXMPMAV-CABCVRRESA-N 2 2 313.873 1.907 20 30 DDEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)CC[N@@H+](C)CC)c2C1 ZINC001128536530 748759273 /nfs/dbraw/zinc/75/92/73/748759273.db2.gz YCFDRJYVZJZGBN-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)CC[N@H+](C)CC)c2C1 ZINC001128536530 748759277 /nfs/dbraw/zinc/75/92/77/748759277.db2.gz YCFDRJYVZJZGBN-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128536530 748759281 /nfs/dbraw/zinc/75/92/81/748759281.db2.gz YCFDRJYVZJZGBN-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)CC)c2C1 ZINC001128536530 748759286 /nfs/dbraw/zinc/75/92/86/748759286.db2.gz YCFDRJYVZJZGBN-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033209161 748939018 /nfs/dbraw/zinc/93/90/18/748939018.db2.gz YMKFIROUDMPAOQ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033209161 748939025 /nfs/dbraw/zinc/93/90/25/748939025.db2.gz YMKFIROUDMPAOQ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367667 761986824 /nfs/dbraw/zinc/98/68/24/761986824.db2.gz NEOFIPASCUORFE-QGZVFWFLSA-N 2 2 320.437 1.434 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367667 761986829 /nfs/dbraw/zinc/98/68/29/761986829.db2.gz NEOFIPASCUORFE-QGZVFWFLSA-N 2 2 320.437 1.434 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996685099 749906299 /nfs/dbraw/zinc/90/62/99/749906299.db2.gz BHHUHFWFICRCBY-HZPDHXFCSA-N 2 2 314.433 1.144 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)C ZINC001095556281 750037543 /nfs/dbraw/zinc/03/75/43/750037543.db2.gz JGKZQLKZWWPKCD-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)C ZINC001095556281 750037550 /nfs/dbraw/zinc/03/75/50/750037550.db2.gz JGKZQLKZWWPKCD-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=C)C ZINC001095556281 750037556 /nfs/dbraw/zinc/03/75/56/750037556.db2.gz JGKZQLKZWWPKCD-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=C)C ZINC001095556281 750037558 /nfs/dbraw/zinc/03/75/58/750037558.db2.gz JGKZQLKZWWPKCD-QZWWFDLISA-N 2 2 301.434 1.382 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033964481 750209500 /nfs/dbraw/zinc/20/95/00/750209500.db2.gz UJBFWYNWZOKXPU-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033964481 750209502 /nfs/dbraw/zinc/20/95/02/750209502.db2.gz UJBFWYNWZOKXPU-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005615973 750705978 /nfs/dbraw/zinc/70/59/78/750705978.db2.gz FNBUHYFQPVEVIE-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005712813 750877176 /nfs/dbraw/zinc/87/71/76/750877176.db2.gz MNEDSVJMPCCHIN-UHFFFAOYSA-N 2 2 310.401 1.894 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001036275488 752346316 /nfs/dbraw/zinc/34/63/16/752346316.db2.gz IMSHKXXMXRQUIF-IUODEOHRSA-N 2 2 324.856 1.932 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999217025 752664689 /nfs/dbraw/zinc/66/46/89/752664689.db2.gz VHWSVBITENHDHN-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999539853 752982991 /nfs/dbraw/zinc/98/29/91/752982991.db2.gz DACRAGNAPUJMPG-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP Cc1c(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2ccccc12 ZINC001169072720 762220398 /nfs/dbraw/zinc/22/03/98/762220398.db2.gz VBJQSLSAGAEDRY-GFCCVEGCSA-N 2 2 307.357 1.463 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759191 753523539 /nfs/dbraw/zinc/52/35/39/753523539.db2.gz BJPFHXLYCUFQCO-HOTGVXAUSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759191 753523544 /nfs/dbraw/zinc/52/35/44/753523544.db2.gz BJPFHXLYCUFQCO-HOTGVXAUSA-N 2 2 302.422 1.604 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001078630384 754237547 /nfs/dbraw/zinc/23/75/47/754237547.db2.gz XXFQODWQIBKJRL-HOTGVXAUSA-N 2 2 322.412 1.907 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014505406 755766031 /nfs/dbraw/zinc/76/60/31/755766031.db2.gz BOKLVPJQGXIRBJ-SWLSCSKDSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014505406 755766035 /nfs/dbraw/zinc/76/60/35/755766035.db2.gz BOKLVPJQGXIRBJ-SWLSCSKDSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505406 755766038 /nfs/dbraw/zinc/76/60/38/755766038.db2.gz BOKLVPJQGXIRBJ-SWLSCSKDSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505406 755766039 /nfs/dbraw/zinc/76/60/39/755766039.db2.gz BOKLVPJQGXIRBJ-SWLSCSKDSA-N 2 2 303.410 1.167 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082603932 756862852 /nfs/dbraw/zinc/86/28/52/756862852.db2.gz VJGYHKRMTDAKGV-MRVWCRGKSA-N 2 2 322.840 1.635 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082664067 756878153 /nfs/dbraw/zinc/87/81/53/756878153.db2.gz UGXHMRAIOZRFOY-OIISXLGYSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082664067 756878156 /nfs/dbraw/zinc/87/81/56/756878156.db2.gz UGXHMRAIOZRFOY-OIISXLGYSA-N 2 2 321.465 1.110 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363544 757124148 /nfs/dbraw/zinc/12/41/48/757124148.db2.gz PXDCORCKUAKDKO-YJNKXOJESA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363544 757124152 /nfs/dbraw/zinc/12/41/52/757124152.db2.gz PXDCORCKUAKDKO-YJNKXOJESA-N 2 2 300.406 1.353 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494620 762561272 /nfs/dbraw/zinc/56/12/72/762561272.db2.gz YCKUAOLHKBYLSQ-GOSISDBHSA-N 2 2 314.433 1.635 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494620 762561281 /nfs/dbraw/zinc/56/12/81/762561281.db2.gz YCKUAOLHKBYLSQ-GOSISDBHSA-N 2 2 314.433 1.635 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653478 757740538 /nfs/dbraw/zinc/74/05/38/757740538.db2.gz INGUHNVDCJQKHG-IIAWOOMASA-N 2 2 312.417 1.386 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653478 757740546 /nfs/dbraw/zinc/74/05/46/757740546.db2.gz INGUHNVDCJQKHG-IIAWOOMASA-N 2 2 312.417 1.386 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085249836 759198336 /nfs/dbraw/zinc/19/83/36/759198336.db2.gz TWHXHVMFHBIRMS-RBSFLKMASA-N 2 2 300.406 1.096 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717023 760098809 /nfs/dbraw/zinc/09/88/09/760098809.db2.gz CCGZYDDTTJMYPH-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085717023 760098819 /nfs/dbraw/zinc/09/88/19/760098819.db2.gz CCGZYDDTTJMYPH-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788098 760241732 /nfs/dbraw/zinc/24/17/32/760241732.db2.gz DRGBJFLPTQFEIH-HOCLYGCPSA-N 2 2 302.422 1.473 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788098 760241736 /nfs/dbraw/zinc/24/17/36/760241736.db2.gz DRGBJFLPTQFEIH-HOCLYGCPSA-N 2 2 302.422 1.473 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699610 762868439 /nfs/dbraw/zinc/86/84/39/762868439.db2.gz HIVRZCIVRGPTJU-BPUTZDHNSA-N 2 2 300.406 1.335 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699610 762868444 /nfs/dbraw/zinc/86/84/44/762868444.db2.gz HIVRZCIVRGPTJU-BPUTZDHNSA-N 2 2 300.406 1.335 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041420077 763017275 /nfs/dbraw/zinc/01/72/75/763017275.db2.gz ZEWHOBSWPKZFIW-CRAIPNDOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041420077 763017280 /nfs/dbraw/zinc/01/72/80/763017280.db2.gz ZEWHOBSWPKZFIW-CRAIPNDOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC001050568347 763761410 /nfs/dbraw/zinc/76/14/10/763761410.db2.gz SMYHJVYNVVRFAQ-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580936 763836431 /nfs/dbraw/zinc/83/64/31/763836431.db2.gz BRHICABTFLNHRC-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580936 763836442 /nfs/dbraw/zinc/83/64/42/763836442.db2.gz BRHICABTFLNHRC-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050731198 763973129 /nfs/dbraw/zinc/97/31/29/763973129.db2.gz XLCKIZNNGYQQPG-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001050742025 763987273 /nfs/dbraw/zinc/98/72/73/763987273.db2.gz SREXAQSBWFCYNX-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136181 764301115 /nfs/dbraw/zinc/30/11/15/764301115.db2.gz ITFOKFFJYGFJGD-HZPDHXFCSA-N 2 2 322.453 1.405 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136181 764301120 /nfs/dbraw/zinc/30/11/20/764301120.db2.gz ITFOKFFJYGFJGD-HZPDHXFCSA-N 2 2 322.453 1.405 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052406181 765796033 /nfs/dbraw/zinc/79/60/33/765796033.db2.gz DCSOYNJZRDHUNA-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052406181 765796045 /nfs/dbraw/zinc/79/60/45/765796045.db2.gz DCSOYNJZRDHUNA-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682679 766015462 /nfs/dbraw/zinc/01/54/62/766015462.db2.gz NAWVKHVLIZXEDW-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682679 766015469 /nfs/dbraw/zinc/01/54/69/766015469.db2.gz NAWVKHVLIZXEDW-MRXNPFEDSA-N 2 2 309.454 1.208 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001045607587 766442368 /nfs/dbraw/zinc/44/23/68/766442368.db2.gz MCBWUNPYXGSPDH-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976036 766755235 /nfs/dbraw/zinc/75/52/35/766755235.db2.gz PLELUBYOWHDRER-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976036 766755237 /nfs/dbraw/zinc/75/52/37/766755237.db2.gz PLELUBYOWHDRER-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488590 767562595 /nfs/dbraw/zinc/56/25/95/767562595.db2.gz RZOTVUUBSYRHQJ-MRXNPFEDSA-N 2 2 323.400 1.223 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597659 768598863 /nfs/dbraw/zinc/59/88/63/768598863.db2.gz BSUHGXLYZIREER-KBPBESRZSA-N 2 2 320.437 1.157 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597659 768598866 /nfs/dbraw/zinc/59/88/66/768598866.db2.gz BSUHGXLYZIREER-KBPBESRZSA-N 2 2 320.437 1.157 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221066 768692611 /nfs/dbraw/zinc/69/26/11/768692611.db2.gz BHPPSPPCVBHVBV-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221066 768692613 /nfs/dbraw/zinc/69/26/13/768692613.db2.gz BHPPSPPCVBHVBV-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132353737 768768294 /nfs/dbraw/zinc/76/82/94/768768294.db2.gz HWYCPISVPUKHGU-HOCLYGCPSA-N 2 2 302.422 1.574 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132353737 768768296 /nfs/dbraw/zinc/76/82/96/768768296.db2.gz HWYCPISVPUKHGU-HOCLYGCPSA-N 2 2 302.422 1.574 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426055 768841297 /nfs/dbraw/zinc/84/12/97/768841297.db2.gz RHDLKQDORXVECP-ZIAGYGMSSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426055 768841308 /nfs/dbraw/zinc/84/13/08/768841308.db2.gz RHDLKQDORXVECP-ZIAGYGMSSA-N 2 2 317.861 1.286 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132532474 768962460 /nfs/dbraw/zinc/96/24/60/768962460.db2.gz DKSSDDOPKLNAAU-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132532474 768962464 /nfs/dbraw/zinc/96/24/64/768962464.db2.gz DKSSDDOPKLNAAU-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132998880 769392852 /nfs/dbraw/zinc/39/28/52/769392852.db2.gz SXMSRPBKAOGKKH-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133242640 769621418 /nfs/dbraw/zinc/62/14/18/769621418.db2.gz VXIDEQBAAVNVBU-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071629042 769747014 /nfs/dbraw/zinc/74/70/14/769747014.db2.gz VYUOCGWYONIQEZ-UONOGXRCSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071629042 769747020 /nfs/dbraw/zinc/74/70/20/769747020.db2.gz VYUOCGWYONIQEZ-UONOGXRCSA-N 2 2 320.437 1.895 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089285 770351538 /nfs/dbraw/zinc/35/15/38/770351538.db2.gz JROICYILZRJOIK-OAGGEKHMSA-N 2 2 300.406 1.248 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049089285 770351547 /nfs/dbraw/zinc/35/15/47/770351547.db2.gz JROICYILZRJOIK-OAGGEKHMSA-N 2 2 300.406 1.248 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071987103 770389419 /nfs/dbraw/zinc/38/94/19/770389419.db2.gz AYJSAGGBJBGJGY-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071987103 770389429 /nfs/dbraw/zinc/38/94/29/770389429.db2.gz AYJSAGGBJBGJGY-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049780789 771154659 /nfs/dbraw/zinc/15/46/59/771154659.db2.gz IYYCPWKCICDSFI-VNQPRFMTSA-N 2 2 302.422 1.840 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049780789 771154660 /nfs/dbraw/zinc/15/46/60/771154660.db2.gz IYYCPWKCICDSFI-VNQPRFMTSA-N 2 2 302.422 1.840 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049780789 771154664 /nfs/dbraw/zinc/15/46/64/771154664.db2.gz IYYCPWKCICDSFI-VNQPRFMTSA-N 2 2 302.422 1.840 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049780789 771154668 /nfs/dbraw/zinc/15/46/68/771154668.db2.gz IYYCPWKCICDSFI-VNQPRFMTSA-N 2 2 302.422 1.840 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845454 771202545 /nfs/dbraw/zinc/20/25/45/771202545.db2.gz AOKBGIWYPMSYAL-JKSUJKDBSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845454 771202549 /nfs/dbraw/zinc/20/25/49/771202549.db2.gz AOKBGIWYPMSYAL-JKSUJKDBSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112524 771628839 /nfs/dbraw/zinc/62/88/39/771628839.db2.gz WTABKTLDSKWFMP-OAGGEKHMSA-N 2 2 312.417 1.117 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112524 771628841 /nfs/dbraw/zinc/62/88/41/771628841.db2.gz WTABKTLDSKWFMP-OAGGEKHMSA-N 2 2 312.417 1.117 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001171238556 772674992 /nfs/dbraw/zinc/67/49/92/772674992.db2.gz SQTAOKYHRIKSAA-UHFFFAOYSA-N 2 2 317.418 1.192 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092085514 773940032 /nfs/dbraw/zinc/94/00/32/773940032.db2.gz PUMKSLVIVFGNLV-VBQJREDUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092085514 773940036 /nfs/dbraw/zinc/94/00/36/773940036.db2.gz PUMKSLVIVFGNLV-VBQJREDUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092085514 773940041 /nfs/dbraw/zinc/94/00/41/773940041.db2.gz PUMKSLVIVFGNLV-VBQJREDUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092085514 773940045 /nfs/dbraw/zinc/94/00/45/773940045.db2.gz PUMKSLVIVFGNLV-VBQJREDUSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001093569237 774840338 /nfs/dbraw/zinc/84/03/38/774840338.db2.gz YIUKSZLHTSRLMA-UHFFFAOYSA-N 2 2 321.465 1.206 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324158 774947397 /nfs/dbraw/zinc/94/73/97/774947397.db2.gz ICMDVCLJICYUIS-CQSZACIVSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324158 774947401 /nfs/dbraw/zinc/94/74/01/774947401.db2.gz ICMDVCLJICYUIS-CQSZACIVSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428035 776140749 /nfs/dbraw/zinc/14/07/49/776140749.db2.gz UUBOHGZNOGGKBH-UYSNPLJNSA-N 2 2 302.422 1.588 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171476593 776313056 /nfs/dbraw/zinc/31/30/56/776313056.db2.gz WVLDXWUKLNFJGG-AWEZNQCLSA-N 2 2 304.438 1.824 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001095039177 777018132 /nfs/dbraw/zinc/01/81/32/777018132.db2.gz LVEJSEUVXJGCSE-IHRRRGAJSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406559 778118866 /nfs/dbraw/zinc/11/88/66/778118866.db2.gz ZCDDNJVZGOLUGB-QLFBSQMISA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406559 778118867 /nfs/dbraw/zinc/11/88/67/778118867.db2.gz ZCDDNJVZGOLUGB-QLFBSQMISA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602966 778234382 /nfs/dbraw/zinc/23/43/82/778234382.db2.gz LAYMWLYYRXYBPB-OIISXLGYSA-N 2 2 316.449 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102602966 778234386 /nfs/dbraw/zinc/23/43/86/778234386.db2.gz LAYMWLYYRXYBPB-OIISXLGYSA-N 2 2 316.449 1.554 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157878 778466981 /nfs/dbraw/zinc/46/69/81/778466981.db2.gz VUDBTEYCTRJANT-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157878 778466983 /nfs/dbraw/zinc/46/69/83/778466983.db2.gz VUDBTEYCTRJANT-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157878 778466986 /nfs/dbraw/zinc/46/69/86/778466986.db2.gz VUDBTEYCTRJANT-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157878 778466987 /nfs/dbraw/zinc/46/69/87/778466987.db2.gz VUDBTEYCTRJANT-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115603090 780262559 /nfs/dbraw/zinc/26/25/59/780262559.db2.gz KTLZKLLZGNAXCV-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543881 838278324 /nfs/dbraw/zinc/27/83/24/838278324.db2.gz GYJVPQMQKKWQCK-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543881 838278330 /nfs/dbraw/zinc/27/83/30/838278330.db2.gz GYJVPQMQKKWQCK-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790656 838985726 /nfs/dbraw/zinc/98/57/26/838985726.db2.gz OVWKWSKGBUURPA-HOCLYGCPSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790656 838985729 /nfs/dbraw/zinc/98/57/29/838985729.db2.gz OVWKWSKGBUURPA-HOCLYGCPSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790656 838985732 /nfs/dbraw/zinc/98/57/32/838985732.db2.gz OVWKWSKGBUURPA-HOCLYGCPSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790656 838985735 /nfs/dbraw/zinc/98/57/35/838985735.db2.gz OVWKWSKGBUURPA-HOCLYGCPSA-N 2 2 302.422 1.534 20 30 DDEDLP C=CCC[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001267845303 839073769 /nfs/dbraw/zinc/07/37/69/839073769.db2.gz XRYDNKUJTLJKAK-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268073803 839647914 /nfs/dbraw/zinc/64/79/14/839647914.db2.gz DWQLIHGGYGTGCG-CQSZACIVSA-N 2 2 314.389 1.034 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001268181895 839802950 /nfs/dbraw/zinc/80/29/50/839802950.db2.gz YRAFXHIMGJYQSV-CABCVRRESA-N 2 2 316.449 1.927 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001268210881 839843133 /nfs/dbraw/zinc/84/31/33/839843133.db2.gz HNVPUTBHTSEVDS-ZBFHGGJFSA-N 2 2 304.438 1.752 20 30 DDEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001269415763 841622103 /nfs/dbraw/zinc/62/21/03/841622103.db2.gz IMESSVWBEKRGSR-UHFFFAOYSA-N 2 2 316.449 1.967 20 30 DDEDLP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001271021579 843140663 /nfs/dbraw/zinc/14/06/63/843140663.db2.gz PLGYIURZWOIAOA-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001271650337 843756210 /nfs/dbraw/zinc/75/62/10/843756210.db2.gz WEAZKPIRCRADNZ-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272281799 845993340 /nfs/dbraw/zinc/99/33/40/845993340.db2.gz VMIVCHIPUDABSP-HUUCEWRRSA-N 2 2 304.438 1.987 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001272474788 846177599 /nfs/dbraw/zinc/17/75/99/846177599.db2.gz JYYDRBCRYYHHKB-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272789994 847429859 /nfs/dbraw/zinc/42/98/59/847429859.db2.gz HHGKXLHNVLIGJA-BBRMVZONSA-N 2 2 319.453 1.851 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272789994 847429868 /nfs/dbraw/zinc/42/98/68/847429868.db2.gz HHGKXLHNVLIGJA-BBRMVZONSA-N 2 2 319.453 1.851 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275032 848225624 /nfs/dbraw/zinc/22/56/24/848225624.db2.gz YJINDNLQTYBCBS-HOTGVXAUSA-N 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BJZJNQHJFLKGEK-IEBWSBKVSA-N 2 2 324.428 1.739 20 30 DDEDLP N#Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H]4CCC[NH2+]C4)C3)CC2=O)c1 ZINC001246763528 892874899 /nfs/dbraw/zinc/87/48/99/892874899.db2.gz BJZJNQHJFLKGEK-IEBWSBKVSA-N 2 2 324.428 1.739 20 30 DDEDLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001366583842 894142994 /nfs/dbraw/zinc/14/29/94/894142994.db2.gz MZWJFRDENTZZCO-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccccc1C#N ZINC001366583842 894143002 /nfs/dbraw/zinc/14/30/02/894143002.db2.gz MZWJFRDENTZZCO-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001366583842 894143015 /nfs/dbraw/zinc/14/30/15/894143015.db2.gz MZWJFRDENTZZCO-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001366583842 894143023 /nfs/dbraw/zinc/14/30/23/894143023.db2.gz MZWJFRDENTZZCO-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP C=C[C@@](C)(O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001252540781 895255432 /nfs/dbraw/zinc/25/54/32/895255432.db2.gz AQOXZIFDONZPKH-GOSISDBHSA-N 2 2 320.433 1.424 20 30 DDEDLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001390816105 900260192 /nfs/dbraw/zinc/26/01/92/900260192.db2.gz HDMSNLKLRQZNSH-INIZCTEOSA-N 2 2 320.412 1.586 20 30 DDEDLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001390816105 900260198 /nfs/dbraw/zinc/26/01/98/900260198.db2.gz HDMSNLKLRQZNSH-INIZCTEOSA-N 2 2 320.412 1.586 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001265806387 902424077 /nfs/dbraw/zinc/42/40/77/902424077.db2.gz CQOMAXTZKOSNJU-INIZCTEOSA-N 2 2 310.401 1.419 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266010042 902749045 /nfs/dbraw/zinc/74/90/45/902749045.db2.gz CSPCXISSNCMRLS-HOCLYGCPSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001281778063 905212975 /nfs/dbraw/zinc/21/29/75/905212975.db2.gz XUNCHVDZDDQANL-SFHVURJKSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001281778063 905212985 /nfs/dbraw/zinc/21/29/85/905212985.db2.gz XUNCHVDZDDQANL-SFHVURJKSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001281778063 905212999 /nfs/dbraw/zinc/21/29/99/905212999.db2.gz XUNCHVDZDDQANL-SFHVURJKSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001281778063 905213015 /nfs/dbraw/zinc/21/30/15/905213015.db2.gz XUNCHVDZDDQANL-SFHVURJKSA-N 2 2 313.445 1.675 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001282545360 905862911 /nfs/dbraw/zinc/86/29/11/905862911.db2.gz PLRZWXCYMNSNEG-INIZCTEOSA-N 2 2 323.481 1.236 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282665920 905933390 /nfs/dbraw/zinc/93/33/90/905933390.db2.gz PEORZSLMIGNHFF-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001282665920 905933400 /nfs/dbraw/zinc/93/34/00/905933400.db2.gz PEORZSLMIGNHFF-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284069100 908422026 /nfs/dbraw/zinc/42/20/26/908422026.db2.gz GHPHNZDEZVWANZ-RDJZCZTQSA-N 2 2 300.406 1.410 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284069100 908422033 /nfs/dbraw/zinc/42/20/33/908422033.db2.gz GHPHNZDEZVWANZ-RDJZCZTQSA-N 2 2 300.406 1.410 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001284598063 909232115 /nfs/dbraw/zinc/23/21/15/909232115.db2.gz LHFPTTHSNVEYGG-UMVBOHGHSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001284598063 909232126 /nfs/dbraw/zinc/23/21/26/909232126.db2.gz LHFPTTHSNVEYGG-UMVBOHGHSA-N 2 2 302.422 1.657 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130139 915049687 /nfs/dbraw/zinc/04/96/87/915049687.db2.gz XZUBZMHJHBJCRP-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130139 915049703 /nfs/dbraw/zinc/04/97/03/915049703.db2.gz XZUBZMHJHBJCRP-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001376361292 918321425 /nfs/dbraw/zinc/32/14/25/918321425.db2.gz KEXSANAYPRBEAQ-JSGCOSHPSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001376748621 919254079 /nfs/dbraw/zinc/25/40/79/919254079.db2.gz FRKBYQOFLQIIII-CYBMUJFWSA-N 2 2 322.840 1.827 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001377696025 922727695 /nfs/dbraw/zinc/72/76/95/922727695.db2.gz RFZXFQSFNCYUGR-AWEZNQCLSA-N 2 2 310.829 1.854 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001377696025 922727707 /nfs/dbraw/zinc/72/77/07/922727707.db2.gz RFZXFQSFNCYUGR-AWEZNQCLSA-N 2 2 310.829 1.854 20 30 DDEDLP CN(CC[NH+]1CCCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000330036691 529907717 /nfs/dbraw/zinc/90/77/17/529907717.db2.gz YLIHZXWGULCREK-UHFFFAOYSA-N 2 2 301.394 1.776 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103528 529923008 /nfs/dbraw/zinc/92/30/08/529923008.db2.gz TVOBSUYOTOROJP-IAGOWNOFSA-N 2 2 302.422 1.936 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103528 529923009 /nfs/dbraw/zinc/92/30/09/529923009.db2.gz TVOBSUYOTOROJP-IAGOWNOFSA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000339103528 529923010 /nfs/dbraw/zinc/92/30/10/529923010.db2.gz TVOBSUYOTOROJP-IAGOWNOFSA-N 2 2 302.422 1.936 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000339103528 529923011 /nfs/dbraw/zinc/92/30/11/529923011.db2.gz TVOBSUYOTOROJP-IAGOWNOFSA-N 2 2 302.422 1.936 20 30 DDEDLP C=CC[NH+](CC=C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000062361521 352898388 /nfs/dbraw/zinc/89/83/88/352898388.db2.gz OFJYSVOOTWXHQI-UHFFFAOYSA-N 2 2 314.433 1.794 20 30 DDEDLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C#N ZINC000089926713 353783554 /nfs/dbraw/zinc/78/35/54/353783554.db2.gz WRAWVERVEKAKME-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP C=C(C)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000092894290 353873890 /nfs/dbraw/zinc/87/38/90/353873890.db2.gz RHIJYXHKABZTMX-UHFFFAOYSA-N 2 2 303.406 1.856 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C#N ZINC000595862540 356681926 /nfs/dbraw/zinc/68/19/26/356681926.db2.gz CPZFDLBYGSYVNJ-QGZVFWFLSA-N 2 2 315.417 1.598 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C#N ZINC000595862540 356681929 /nfs/dbraw/zinc/68/19/29/356681929.db2.gz CPZFDLBYGSYVNJ-QGZVFWFLSA-N 2 2 315.417 1.598 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(C#N)c1 ZINC000597990150 357408881 /nfs/dbraw/zinc/40/88/81/357408881.db2.gz OOSQGZPJYJAVRS-UHFFFAOYSA-N 2 2 302.422 1.100 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(C#N)c1 ZINC000597990150 357408884 /nfs/dbraw/zinc/40/88/84/357408884.db2.gz OOSQGZPJYJAVRS-UHFFFAOYSA-N 2 2 302.422 1.100 20 30 DDEDLP C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602867796 359252135 /nfs/dbraw/zinc/25/21/35/359252135.db2.gz DXZFEJMWAOUXKO-UONOGXRCSA-N 2 2 301.394 1.010 20 30 DDEDLP COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C#N ZINC000602876193 359260135 /nfs/dbraw/zinc/26/01/35/359260135.db2.gz FXQMUDMAQCYFDZ-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C#N ZINC000602876193 359260139 /nfs/dbraw/zinc/26/01/39/359260139.db2.gz FXQMUDMAQCYFDZ-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000338365293 299304137 /nfs/dbraw/zinc/30/41/37/299304137.db2.gz MEJSJCSZJURXJE-ZXFNITATSA-N 2 2 317.433 1.679 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093147248 193208539 /nfs/dbraw/zinc/20/85/39/193208539.db2.gz HBYBVWNKHWMUHI-OAHLLOKOSA-N 2 2 302.422 1.753 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093147248 193208541 /nfs/dbraw/zinc/20/85/41/193208541.db2.gz HBYBVWNKHWMUHI-OAHLLOKOSA-N 2 2 302.422 1.753 20 30 DDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329811719 533362498 /nfs/dbraw/zinc/36/24/98/533362498.db2.gz CURKUCASUXRRFA-KGLIPLIRSA-N 2 2 305.426 1.733 20 30 DDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000329811719 533362503 /nfs/dbraw/zinc/36/25/03/533362503.db2.gz CURKUCASUXRRFA-KGLIPLIRSA-N 2 2 305.426 1.733 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000173871254 407901764 /nfs/dbraw/zinc/90/17/64/407901764.db2.gz KOEGSUDJFGOVQS-CRAIPNDOSA-N 2 2 318.465 1.603 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000173871254 407901768 /nfs/dbraw/zinc/90/17/68/407901768.db2.gz KOEGSUDJFGOVQS-CRAIPNDOSA-N 2 2 318.465 1.603 20 30 DDEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042693 407949512 /nfs/dbraw/zinc/94/95/12/407949512.db2.gz WXXADKKEEXJRRA-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000120686531 408139813 /nfs/dbraw/zinc/13/98/13/408139813.db2.gz WJWLGDBIRUYJAC-QGZVFWFLSA-N 2 2 313.401 1.407 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182848308 408267166 /nfs/dbraw/zinc/26/71/66/408267166.db2.gz MPVSKOWSSYMQMK-CQSZACIVSA-N 2 2 311.393 1.146 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182848308 408267172 /nfs/dbraw/zinc/26/71/72/408267172.db2.gz MPVSKOWSSYMQMK-CQSZACIVSA-N 2 2 311.393 1.146 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674121 408355121 /nfs/dbraw/zinc/35/51/21/408355121.db2.gz KZZMVZVQSMJIGA-FRFSOERESA-N 2 2 304.438 1.211 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674121 408355122 /nfs/dbraw/zinc/35/51/22/408355122.db2.gz KZZMVZVQSMJIGA-FRFSOERESA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674121 408355125 /nfs/dbraw/zinc/35/51/25/408355125.db2.gz KZZMVZVQSMJIGA-FRFSOERESA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC[C@H]21 ZINC000158674121 408355126 /nfs/dbraw/zinc/35/51/26/408355126.db2.gz KZZMVZVQSMJIGA-FRFSOERESA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCN(C(=O)CC[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000275331655 408584659 /nfs/dbraw/zinc/58/46/59/408584659.db2.gz VXBYPQCPCVQNCZ-UHFFFAOYSA-N 2 2 304.394 1.159 20 30 DDEDLP C[NH+]1CCN(C(=O)CC[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000275331655 408584665 /nfs/dbraw/zinc/58/46/65/408584665.db2.gz VXBYPQCPCVQNCZ-UHFFFAOYSA-N 2 2 304.394 1.159 20 30 DDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000286328231 408963976 /nfs/dbraw/zinc/96/39/76/408963976.db2.gz WWNVEFAUFSFPEH-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000286328231 408963979 /nfs/dbraw/zinc/96/39/79/408963979.db2.gz WWNVEFAUFSFPEH-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290089729 409300486 /nfs/dbraw/zinc/30/04/86/409300486.db2.gz VSPJXKKWZNTYQK-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290089729 409300489 /nfs/dbraw/zinc/30/04/89/409300489.db2.gz VSPJXKKWZNTYQK-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290089729 409300491 /nfs/dbraw/zinc/30/04/91/409300491.db2.gz VSPJXKKWZNTYQK-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290089729 409300495 /nfs/dbraw/zinc/30/04/95/409300495.db2.gz VSPJXKKWZNTYQK-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP Cc1c(C#N)cccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000338136597 409745706 /nfs/dbraw/zinc/74/57/06/409745706.db2.gz LVZOCMWDVZPBOO-UHFFFAOYSA-N 2 2 314.433 1.623 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000317682969 409869622 /nfs/dbraw/zinc/86/96/22/409869622.db2.gz HXMHHKVMFINLHE-SJORKVTESA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000317682969 409869630 /nfs/dbraw/zinc/86/96/30/409869630.db2.gz HXMHHKVMFINLHE-SJORKVTESA-N 2 2 300.402 1.651 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328939602 410015629 /nfs/dbraw/zinc/01/56/29/410015629.db2.gz RZOPHWZBLRQGDA-GOEBONIOSA-N 2 2 320.437 1.759 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328939602 410015636 /nfs/dbraw/zinc/01/56/36/410015636.db2.gz RZOPHWZBLRQGDA-GOEBONIOSA-N 2 2 320.437 1.759 20 30 DDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000357531899 410089600 /nfs/dbraw/zinc/08/96/00/410089600.db2.gz SAUKVYWNQQMSDF-UHFFFAOYSA-N 2 2 313.445 1.981 20 30 DDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000357531899 410089610 /nfs/dbraw/zinc/08/96/10/410089610.db2.gz SAUKVYWNQQMSDF-UHFFFAOYSA-N 2 2 313.445 1.981 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000329428223 410292930 /nfs/dbraw/zinc/29/29/30/410292930.db2.gz HANHOPDOQVBBDV-CQSZACIVSA-N 2 2 300.362 1.937 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000329428223 410292933 /nfs/dbraw/zinc/29/29/33/410292933.db2.gz HANHOPDOQVBBDV-CQSZACIVSA-N 2 2 300.362 1.937 20 30 DDEDLP CC#CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000647600960 422968183 /nfs/dbraw/zinc/96/81/83/422968183.db2.gz QFZPIDDWNZTAIZ-LBPRGKRZSA-N 2 2 308.345 1.397 20 30 DDEDLP [NH2+]=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccccc1 ZINC000261917326 222261028 /nfs/dbraw/zinc/26/10/28/222261028.db2.gz ZPLDRQLUJVNSAT-MRXNPFEDSA-N 2 2 320.462 1.621 20 30 DDEDLP CN1CC[NH+]=C1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000262656857 222287839 /nfs/dbraw/zinc/28/78/39/222287839.db2.gz LUIAWDXVVADVTH-HNNXBMFYSA-N 2 2 304.463 1.495 20 30 DDEDLP CN1CC[NH+]=C1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000262656857 222287843 /nfs/dbraw/zinc/28/78/43/222287843.db2.gz LUIAWDXVVADVTH-HNNXBMFYSA-N 2 2 304.463 1.495 20 30 DDEDLP COc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1OC ZINC000262657128 222288033 /nfs/dbraw/zinc/28/80/33/222288033.db2.gz LXWFIRHZLISUFO-AAEUAGOBSA-N 2 2 306.410 1.244 20 30 DDEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267300334 222382726 /nfs/dbraw/zinc/38/27/26/222382726.db2.gz LCWRXOVZGCEWTI-AWEZNQCLSA-N 2 2 302.422 1.623 20 30 DDEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267300334 222382728 /nfs/dbraw/zinc/38/27/28/222382728.db2.gz LCWRXOVZGCEWTI-AWEZNQCLSA-N 2 2 302.422 1.623 20 30 DDEDLP CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367698438 418622700 /nfs/dbraw/zinc/62/27/00/418622700.db2.gz NDYAIHXWNBSUMH-MRXNPFEDSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367698438 418622702 /nfs/dbraw/zinc/62/27/02/418622702.db2.gz NDYAIHXWNBSUMH-MRXNPFEDSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000386794933 418741306 /nfs/dbraw/zinc/74/13/06/418741306.db2.gz MMTBSLGUVYWAJA-ZFWWWQNUSA-N 2 2 300.362 1.173 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256485 418763877 /nfs/dbraw/zinc/76/38/77/418763877.db2.gz KYWMUZNRLPJTSA-QXSJWSMHSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256485 418763878 /nfs/dbraw/zinc/76/38/78/418763878.db2.gz KYWMUZNRLPJTSA-QXSJWSMHSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256485 418763879 /nfs/dbraw/zinc/76/38/79/418763879.db2.gz KYWMUZNRLPJTSA-QXSJWSMHSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256485 418763881 /nfs/dbraw/zinc/76/38/81/418763881.db2.gz KYWMUZNRLPJTSA-QXSJWSMHSA-N 2 2 304.438 1.163 20 30 DDEDLP Cc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252521 228399418 /nfs/dbraw/zinc/39/94/18/228399418.db2.gz ZSDCJIFNKNMJOV-MSOLQXFVSA-N 2 2 322.412 1.731 20 30 DDEDLP Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425252521 228399421 /nfs/dbraw/zinc/39/94/21/228399421.db2.gz ZSDCJIFNKNMJOV-MSOLQXFVSA-N 2 2 322.412 1.731 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000491553557 421199401 /nfs/dbraw/zinc/19/94/01/421199401.db2.gz AUFMXDSSCGQHFI-MRXNPFEDSA-N 2 2 324.428 1.328 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000491553557 421199402 /nfs/dbraw/zinc/19/94/02/421199402.db2.gz AUFMXDSSCGQHFI-MRXNPFEDSA-N 2 2 324.428 1.328 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000515832483 421518285 /nfs/dbraw/zinc/51/82/85/421518285.db2.gz XOFDLHDHPPTOOM-BBWFWOEESA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000515832483 421518287 /nfs/dbraw/zinc/51/82/87/421518287.db2.gz XOFDLHDHPPTOOM-BBWFWOEESA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000515832483 421518288 /nfs/dbraw/zinc/51/82/88/421518288.db2.gz XOFDLHDHPPTOOM-BBWFWOEESA-N 2 2 324.513 1.539 20 30 DDEDLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000515832483 421518290 /nfs/dbraw/zinc/51/82/90/421518290.db2.gz XOFDLHDHPPTOOM-BBWFWOEESA-N 2 2 324.513 1.539 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567748825 421614850 /nfs/dbraw/zinc/61/48/50/421614850.db2.gz KWIXZTMNKVELBO-CQSZACIVSA-N 2 2 306.435 1.413 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980934 421674367 /nfs/dbraw/zinc/67/43/67/421674367.db2.gz WVJDGGPPZSVKTJ-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980934 421674369 /nfs/dbraw/zinc/67/43/69/421674369.db2.gz WVJDGGPPZSVKTJ-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980934 421674372 /nfs/dbraw/zinc/67/43/72/421674372.db2.gz WVJDGGPPZSVKTJ-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980934 421674374 /nfs/dbraw/zinc/67/43/74/421674374.db2.gz WVJDGGPPZSVKTJ-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP C=CCOCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196196 422324185 /nfs/dbraw/zinc/32/41/85/422324185.db2.gz OTRSGPBUBZTCGI-UHFFFAOYSA-N 2 2 318.421 1.755 20 30 DDEDLP C=CC[C@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673435 424730864 /nfs/dbraw/zinc/73/08/64/424730864.db2.gz KXFYXYKIJYSEOQ-NVXWUHKLSA-N 2 2 309.454 1.158 20 30 DDEDLP C=CC[C@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC[NH2+]1 ZINC000662684150 424734262 /nfs/dbraw/zinc/73/42/62/424734262.db2.gz AYCVBYQSYVHBOL-QGZVFWFLSA-N 2 2 302.422 1.576 20 30 DDEDLP N#Cc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)o1 ZINC000353668242 268072792 /nfs/dbraw/zinc/07/27/92/268072792.db2.gz XEIXWRLSHMUHJJ-UHFFFAOYSA-N 2 2 304.394 1.233 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329639774 276222051 /nfs/dbraw/zinc/22/20/51/276222051.db2.gz WTEOFBCPEHJLGV-MCIONIFRSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329639774 276222053 /nfs/dbraw/zinc/22/20/53/276222053.db2.gz WTEOFBCPEHJLGV-MCIONIFRSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329639774 276222055 /nfs/dbraw/zinc/22/20/55/276222055.db2.gz WTEOFBCPEHJLGV-MCIONIFRSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329639774 276222057 /nfs/dbraw/zinc/22/20/57/276222057.db2.gz WTEOFBCPEHJLGV-MCIONIFRSA-N 2 2 319.453 1.986 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000130406878 281380048 /nfs/dbraw/zinc/38/00/48/281380048.db2.gz DHHGTVXSINQQGV-MRXNPFEDSA-N 2 2 311.389 1.612 20 30 DDEDLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000130406878 281380053 /nfs/dbraw/zinc/38/00/53/281380053.db2.gz DHHGTVXSINQQGV-MRXNPFEDSA-N 2 2 311.389 1.612 20 30 DDEDLP C#CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000179316622 335953459 /nfs/dbraw/zinc/95/34/59/335953459.db2.gz OMLQJDYFZYYFPL-UHFFFAOYSA-N 2 2 320.481 1.600 20 30 DDEDLP CC(=O)N1CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000582974700 337225060 /nfs/dbraw/zinc/22/50/60/337225060.db2.gz GXDOWEIOBSPKJE-UHFFFAOYSA-N 2 2 312.417 1.343 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009107 341243162 /nfs/dbraw/zinc/24/31/62/341243162.db2.gz QMAGUXKXWZFVLI-KBPBESRZSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009107 341243163 /nfs/dbraw/zinc/24/31/63/341243163.db2.gz QMAGUXKXWZFVLI-KBPBESRZSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548282221 341254229 /nfs/dbraw/zinc/25/42/29/341254229.db2.gz LYIKJGUAFFQFLG-OAHLLOKOSA-N 2 2 317.437 1.538 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330665499 526415157 /nfs/dbraw/zinc/41/51/57/526415157.db2.gz ZTEWPDDERSXIOJ-UHFFFAOYSA-N 2 2 324.469 1.251 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)CC1 ZINC000490740170 526947000 /nfs/dbraw/zinc/94/70/00/526947000.db2.gz IVOCKZLVFNTBHG-HZPDHXFCSA-N 2 2 323.506 1.370 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)CC1 ZINC000490740170 526947005 /nfs/dbraw/zinc/94/70/05/526947005.db2.gz IVOCKZLVFNTBHG-HZPDHXFCSA-N 2 2 323.506 1.370 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000342766085 527323809 /nfs/dbraw/zinc/32/38/09/527323809.db2.gz RZEAPTQXULLIDJ-HNNXBMFYSA-N 2 2 302.422 1.627 20 30 DDEDLP C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000342766085 527323814 /nfs/dbraw/zinc/32/38/14/527323814.db2.gz RZEAPTQXULLIDJ-HNNXBMFYSA-N 2 2 302.422 1.627 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158214 695166162 /nfs/dbraw/zinc/16/61/62/695166162.db2.gz LSWJAXRXFLJDSQ-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158214 695166164 /nfs/dbraw/zinc/16/61/64/695166164.db2.gz LSWJAXRXFLJDSQ-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972158214 695166165 /nfs/dbraw/zinc/16/61/65/695166165.db2.gz LSWJAXRXFLJDSQ-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972158214 695166167 /nfs/dbraw/zinc/16/61/67/695166167.db2.gz LSWJAXRXFLJDSQ-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974694699 695713402 /nfs/dbraw/zinc/71/34/02/695713402.db2.gz SJNPRWXTZINKMU-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974694699 695713403 /nfs/dbraw/zinc/71/34/03/695713403.db2.gz SJNPRWXTZINKMU-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974694699 695713404 /nfs/dbraw/zinc/71/34/04/695713404.db2.gz SJNPRWXTZINKMU-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974694699 695713405 /nfs/dbraw/zinc/71/34/05/695713405.db2.gz SJNPRWXTZINKMU-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737852 695722381 /nfs/dbraw/zinc/72/23/81/695722381.db2.gz ZECCDKFHQBSZEO-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737852 695722383 /nfs/dbraw/zinc/72/23/83/695722383.db2.gz ZECCDKFHQBSZEO-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742201 695723859 /nfs/dbraw/zinc/72/38/59/695723859.db2.gz MRIWOOLEQXIMLH-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974742201 695723861 /nfs/dbraw/zinc/72/38/61/695723861.db2.gz MRIWOOLEQXIMLH-LSDHHAIUSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957394 696983832 /nfs/dbraw/zinc/98/38/32/696983832.db2.gz KLILKBKPVYRKFL-KRWDZBQOSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957394 696983834 /nfs/dbraw/zinc/98/38/34/696983834.db2.gz KLILKBKPVYRKFL-KRWDZBQOSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957394 696983836 /nfs/dbraw/zinc/98/38/36/696983836.db2.gz KLILKBKPVYRKFL-KRWDZBQOSA-N 2 2 309.429 1.366 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957394 696983838 /nfs/dbraw/zinc/98/38/38/696983838.db2.gz KLILKBKPVYRKFL-KRWDZBQOSA-N 2 2 309.429 1.366 20 30 DDEDLP CCC(CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCOCC1 ZINC000303778023 698606368 /nfs/dbraw/zinc/60/63/68/698606368.db2.gz JGNVFSHNOLUUGL-HIFRSBDPSA-N 2 2 314.474 1.063 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC000989855111 698797949 /nfs/dbraw/zinc/79/79/49/698797949.db2.gz ZNZSRHUPLPPUCY-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000764508868 700974421 /nfs/dbraw/zinc/97/44/21/700974421.db2.gz SYFPDBYHDNNWSM-JXMROGBWSA-N 2 2 313.445 1.962 20 30 DDEDLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000866353587 706679601 /nfs/dbraw/zinc/67/96/01/706679601.db2.gz UUCPOMZQUXKDFG-CQSZACIVSA-N 2 2 316.449 1.940 20 30 DDEDLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000866353587 706679603 /nfs/dbraw/zinc/67/96/03/706679603.db2.gz UUCPOMZQUXKDFG-CQSZACIVSA-N 2 2 316.449 1.940 20 30 DDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848410306 703547463 /nfs/dbraw/zinc/54/74/63/703547463.db2.gz JVGXLUZQSSIJQY-UONOGXRCSA-N 2 2 305.426 1.825 20 30 DDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866666886 706758589 /nfs/dbraw/zinc/75/85/89/706758589.db2.gz YIBCLGFZDQNFHP-INIZCTEOSA-N 2 2 313.401 1.848 20 30 DDEDLP Cc1cccn2cc(CCNC(=O)C#CC3CC[NH2+]CC3)[nH+]c12 ZINC000852872016 704156067 /nfs/dbraw/zinc/15/60/67/704156067.db2.gz ZXHQAJPSKMOPCS-UHFFFAOYSA-N 2 2 310.401 1.304 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115035 704199870 /nfs/dbraw/zinc/19/98/70/704199870.db2.gz CTEZZXFNTAWZGZ-RTBURBONSA-N 2 2 316.445 1.497 20 30 DDEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000853115035 704199871 /nfs/dbraw/zinc/19/98/71/704199871.db2.gz CTEZZXFNTAWZGZ-RTBURBONSA-N 2 2 316.445 1.497 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000862629712 705758408 /nfs/dbraw/zinc/75/84/08/705758408.db2.gz QOBFEGVDXILSPE-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862629712 705758409 /nfs/dbraw/zinc/75/84/09/705758409.db2.gz QOBFEGVDXILSPE-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000862629712 705758411 /nfs/dbraw/zinc/75/84/11/705758411.db2.gz QOBFEGVDXILSPE-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000862629712 705758413 /nfs/dbraw/zinc/75/84/13/705758413.db2.gz QOBFEGVDXILSPE-IRXDYDNUSA-N 2 2 303.450 1.607 20 30 DDEDLP CN(C)c1ccc(C(N)=[NH+]OCCCc2c[nH+]cn2C)cc1 ZINC000902218929 710669232 /nfs/dbraw/zinc/66/92/32/710669232.db2.gz PZQDQMPHHYZGKZ-UHFFFAOYSA-N 2 2 301.394 1.756 20 30 DDEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880471 710942586 /nfs/dbraw/zinc/94/25/86/710942586.db2.gz IVBHAPICIGUEGB-MORSLUCNSA-N 2 2 314.433 1.982 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858963 711305811 /nfs/dbraw/zinc/30/58/11/711305811.db2.gz KPFHFFMHBUQZAC-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858963 711305815 /nfs/dbraw/zinc/30/58/15/711305815.db2.gz KPFHFFMHBUQZAC-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858974 711306045 /nfs/dbraw/zinc/30/60/45/711306045.db2.gz KPFHFFMHBUQZAC-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858974 711306046 /nfs/dbraw/zinc/30/60/46/711306046.db2.gz KPFHFFMHBUQZAC-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000928650726 713251079 /nfs/dbraw/zinc/25/10/79/713251079.db2.gz GXAJXESCBQDVHF-ZDUSSCGKSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCCCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930071123 713749192 /nfs/dbraw/zinc/74/91/92/713749192.db2.gz CCVXJYPXTIHSOF-KRWDZBQOSA-N 2 2 305.466 1.984 20 30 DDEDLP C#CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930071123 713749194 /nfs/dbraw/zinc/74/91/94/713749194.db2.gz CCVXJYPXTIHSOF-KRWDZBQOSA-N 2 2 305.466 1.984 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923411636 714347255 /nfs/dbraw/zinc/34/72/55/714347255.db2.gz OIVNYCXRBKNZDN-JKSUJKDBSA-N 2 2 303.406 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923411636 714347257 /nfs/dbraw/zinc/34/72/57/714347257.db2.gz OIVNYCXRBKNZDN-JKSUJKDBSA-N 2 2 303.406 1.501 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960647194 716645256 /nfs/dbraw/zinc/64/52/56/716645256.db2.gz KOLDVYZIJWMEFA-BCUIYNNISA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960647194 716645258 /nfs/dbraw/zinc/64/52/58/716645258.db2.gz KOLDVYZIJWMEFA-BCUIYNNISA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960647194 716645261 /nfs/dbraw/zinc/64/52/61/716645261.db2.gz KOLDVYZIJWMEFA-BCUIYNNISA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960647194 716645263 /nfs/dbraw/zinc/64/52/63/716645263.db2.gz KOLDVYZIJWMEFA-BCUIYNNISA-N 2 2 300.406 1.055 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290026 716897835 /nfs/dbraw/zinc/89/78/35/716897835.db2.gz ZLPTYINFISCLQT-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290026 716897841 /nfs/dbraw/zinc/89/78/41/716897841.db2.gz ZLPTYINFISCLQT-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000965012204 717507172 /nfs/dbraw/zinc/50/71/72/717507172.db2.gz RRYJLGIXFXWKER-VYWJUGDHSA-N 2 2 312.417 1.480 20 30 DDEDLP N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)c1 ZINC000963005462 717647139 /nfs/dbraw/zinc/64/71/39/717647139.db2.gz YANVOYRUNJCPAR-VQFNDLOPSA-N 2 2 321.384 1.001 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)c1 ZINC000963005462 717647147 /nfs/dbraw/zinc/64/71/47/717647147.db2.gz YANVOYRUNJCPAR-VQFNDLOPSA-N 2 2 321.384 1.001 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087668 718761985 /nfs/dbraw/zinc/76/19/85/718761985.db2.gz ORYUNTKRTUZPRB-XJKSGUPXSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087668 718761989 /nfs/dbraw/zinc/76/19/89/718761989.db2.gz ORYUNTKRTUZPRB-XJKSGUPXSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911106 718941690 /nfs/dbraw/zinc/94/16/90/718941690.db2.gz CJMMXVTUQALFPU-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911106 718941693 /nfs/dbraw/zinc/94/16/93/718941693.db2.gz CJMMXVTUQALFPU-IYBDPMFKSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947440836 719164248 /nfs/dbraw/zinc/16/42/48/719164248.db2.gz DQTBSDSLQNSKBC-ZBFHGGJFSA-N 2 2 315.417 1.625 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947440836 719164252 /nfs/dbraw/zinc/16/42/52/719164252.db2.gz DQTBSDSLQNSKBC-ZBFHGGJFSA-N 2 2 315.417 1.625 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540865 719204443 /nfs/dbraw/zinc/20/44/43/719204443.db2.gz ZKWXZUHLMBUIHV-GJZGRUSLSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540865 719204445 /nfs/dbraw/zinc/20/44/45/719204445.db2.gz ZKWXZUHLMBUIHV-GJZGRUSLSA-N 2 2 310.401 1.940 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996050 720591452 /nfs/dbraw/zinc/59/14/52/720591452.db2.gz HKAPWRIFNBCFAS-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000970138433 720640986 /nfs/dbraw/zinc/64/09/86/720640986.db2.gz BGEKBPJGBOFFLN-OAHLLOKOSA-N 2 2 307.438 1.008 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001026365572 737426183 /nfs/dbraw/zinc/42/61/83/737426183.db2.gz YDFQGAWLPKUMMU-IACUBPJLSA-N 2 2 308.813 1.531 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956603 732609180 /nfs/dbraw/zinc/60/91/80/732609180.db2.gz LISIFRGYPPHGOX-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956603 732609184 /nfs/dbraw/zinc/60/91/84/732609184.db2.gz LISIFRGYPPHGOX-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956603 732609187 /nfs/dbraw/zinc/60/91/87/732609187.db2.gz LISIFRGYPPHGOX-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956603 732609193 /nfs/dbraw/zinc/60/91/93/732609193.db2.gz LISIFRGYPPHGOX-OJLVUWQFSA-N 2 2 302.422 1.601 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001020818798 732692985 /nfs/dbraw/zinc/69/29/85/732692985.db2.gz DKKPZBRAYASHLD-SHTZXODSSA-N 2 2 309.373 1.261 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717806 733481375 /nfs/dbraw/zinc/48/13/75/733481375.db2.gz RQMRKTYEJYUKMH-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021717806 733481378 /nfs/dbraw/zinc/48/13/78/733481378.db2.gz RQMRKTYEJYUKMH-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001022118552 734397455 /nfs/dbraw/zinc/39/74/55/734397455.db2.gz UVAZTBZXURWBHF-TYNCELHUSA-N 2 2 303.410 1.213 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001022118552 734397457 /nfs/dbraw/zinc/39/74/57/734397457.db2.gz UVAZTBZXURWBHF-TYNCELHUSA-N 2 2 303.410 1.213 20 30 DDEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774787 734772741 /nfs/dbraw/zinc/77/27/41/734772741.db2.gz DGISYIVPRJULGD-AOOOYVTPSA-N 2 2 313.199 1.098 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087309347 736036760 /nfs/dbraw/zinc/03/67/60/736036760.db2.gz FSIUEADDQVBSDY-UHOFOFEASA-N 2 2 302.422 1.743 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001087309347 736036763 /nfs/dbraw/zinc/03/67/63/736036763.db2.gz FSIUEADDQVBSDY-UHOFOFEASA-N 2 2 302.422 1.743 20 30 DDEDLP 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FICAZNAYWPKVSA-ZIAGYGMSSA-N 2 2 322.840 1.951 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594225 739756062 /nfs/dbraw/zinc/75/60/62/739756062.db2.gz FICAZNAYWPKVSA-UONOGXRCSA-N 2 2 322.840 1.951 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594225 739756067 /nfs/dbraw/zinc/75/60/67/739756067.db2.gz FICAZNAYWPKVSA-UONOGXRCSA-N 2 2 322.840 1.951 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644025 739842051 /nfs/dbraw/zinc/84/20/51/739842051.db2.gz VMFOKSSNMWOIEW-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644025 739842055 /nfs/dbraw/zinc/84/20/55/739842055.db2.gz VMFOKSSNMWOIEW-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001037863663 751515460 /nfs/dbraw/zinc/51/54/60/751515460.db2.gz POJYYRHFVKWLKM-HOCLYGCPSA-N 2 2 315.417 1.483 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630255 740683795 /nfs/dbraw/zinc/68/37/95/740683795.db2.gz AQRUDILJJZNJJJ-HRCADAONSA-N 2 2 314.433 1.438 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087634196 740685266 /nfs/dbraw/zinc/68/52/66/740685266.db2.gz QXTWEMKIOVXLDX-GOEBONIOSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087634196 740685269 /nfs/dbraw/zinc/68/52/69/740685269.db2.gz QXTWEMKIOVXLDX-GOEBONIOSA-N 2 2 320.437 1.895 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628982 740687826 /nfs/dbraw/zinc/68/78/26/740687826.db2.gz WKBQJPKSSILIER-HYVNUMGLSA-N 2 2 314.433 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628982 740687830 /nfs/dbraw/zinc/68/78/30/740687830.db2.gz WKBQJPKSSILIER-HYVNUMGLSA-N 2 2 314.433 1.438 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170907 741092608 /nfs/dbraw/zinc/09/26/08/741092608.db2.gz NPJOOGSVPQBNJR-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170907 741092609 /nfs/dbraw/zinc/09/26/09/741092609.db2.gz NPJOOGSVPQBNJR-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001088337592 741410227 /nfs/dbraw/zinc/41/02/27/741410227.db2.gz JDEFBTXIAJHYKF-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001098649940 742084193 /nfs/dbraw/zinc/08/41/93/742084193.db2.gz FVKBFIXCFRVDEG-AWEZNQCLSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076262722 742631629 /nfs/dbraw/zinc/63/16/29/742631629.db2.gz SNDMWFJCJDSWNX-KLZNWCGWSA-N 2 2 314.433 1.632 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076262722 742631632 /nfs/dbraw/zinc/63/16/32/742631632.db2.gz SNDMWFJCJDSWNX-KLZNWCGWSA-N 2 2 314.433 1.632 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183164959 743796593 /nfs/dbraw/zinc/79/65/93/743796593.db2.gz HGZDTYFGZBPBOH-RHSMWYFYSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001183782040 743909588 /nfs/dbraw/zinc/90/95/88/743909588.db2.gz DWNXWFRCWUQBAQ-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001183782040 743909589 /nfs/dbraw/zinc/90/95/89/743909589.db2.gz DWNXWFRCWUQBAQ-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533492 744055548 /nfs/dbraw/zinc/05/55/48/744055548.db2.gz FXEGTMKJJVURMJ-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533492 744055552 /nfs/dbraw/zinc/05/55/52/744055552.db2.gz FXEGTMKJJVURMJ-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001188187811 744670607 /nfs/dbraw/zinc/67/06/07/744670607.db2.gz MMYFATMUMFUSKS-CVEARBPZSA-N 2 2 302.422 1.451 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992401690 744856817 /nfs/dbraw/zinc/85/68/17/744856817.db2.gz XNJGNLQFRBOFLG-NVXWUHKLSA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992401690 744856822 /nfs/dbraw/zinc/85/68/22/744856822.db2.gz XNJGNLQFRBOFLG-NVXWUHKLSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106292074 745557064 /nfs/dbraw/zinc/55/70/64/745557064.db2.gz XWKRISVMYHMOOY-ZACQAIPSSA-N 2 2 316.449 1.788 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993605297 746228729 /nfs/dbraw/zinc/22/87/29/746228729.db2.gz DFENEDHFESAEPE-LSDHHAIUSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993605297 746228732 /nfs/dbraw/zinc/22/87/32/746228732.db2.gz DFENEDHFESAEPE-LSDHHAIUSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449148 746374133 /nfs/dbraw/zinc/37/41/33/746374133.db2.gz PWRPCOUMKRCSLH-INIZCTEOSA-N 2 2 320.437 1.399 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449148 746374139 /nfs/dbraw/zinc/37/41/39/746374139.db2.gz PWRPCOUMKRCSLH-INIZCTEOSA-N 2 2 320.437 1.399 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031580468 747093212 /nfs/dbraw/zinc/09/32/12/747093212.db2.gz SJKKKTOEOANNHF-KRWDZBQOSA-N 2 2 312.417 1.200 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031580468 747093218 /nfs/dbraw/zinc/09/32/18/747093218.db2.gz SJKKKTOEOANNHF-KRWDZBQOSA-N 2 2 312.417 1.200 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568120 747251297 /nfs/dbraw/zinc/25/12/97/747251297.db2.gz DJCHDWTWKKRMEH-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568120 747251300 /nfs/dbraw/zinc/25/13/00/747251300.db2.gz DJCHDWTWKKRMEH-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799325 747887777 /nfs/dbraw/zinc/88/77/77/747887777.db2.gz DESSDWTVOASFMP-UHFFFAOYSA-N 2 2 306.410 1.364 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200730234 748334665 /nfs/dbraw/zinc/33/46/65/748334665.db2.gz SALALHAXXQFWQS-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200730234 748334674 /nfs/dbraw/zinc/33/46/74/748334674.db2.gz SALALHAXXQFWQS-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004473727 748463735 /nfs/dbraw/zinc/46/37/35/748463735.db2.gz LGRAZASLXDUIOQ-IRXDYDNUSA-N 2 2 318.465 1.697 20 30 DDEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004473727 748463737 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20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876416 750013042 /nfs/dbraw/zinc/01/30/42/750013042.db2.gz BFBLXMMCQLRRBD-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876416 750013047 /nfs/dbraw/zinc/01/30/47/750013047.db2.gz BFBLXMMCQLRRBD-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877239 750015263 /nfs/dbraw/zinc/01/52/63/750015263.db2.gz HRGNXINTAQIMHI-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877239 750015271 /nfs/dbraw/zinc/01/52/71/750015271.db2.gz HRGNXINTAQIMHI-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001095556205 750037139 /nfs/dbraw/zinc/03/71/39/750037139.db2.gz DOWQUZUAWRCRBN-QZWWFDLISA-N 2 2 303.450 1.462 20 30 DDEDLP 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300.406 1.048 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018633 779247655 /nfs/dbraw/zinc/24/76/55/779247655.db2.gz FLJONBLQFYKPDF-ZNMIVQPWSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630102 779442216 /nfs/dbraw/zinc/44/22/16/779442216.db2.gz KHHWNBVSIVFZJE-HZPDHXFCSA-N 2 2 316.449 1.813 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001271789381 844111074 /nfs/dbraw/zinc/11/10/74/844111074.db2.gz CUDSUVANROBFFG-WKILWMFISA-N 2 2 304.438 1.971 20 30 DDEDLP CC#CC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001266389833 836197884 /nfs/dbraw/zinc/19/78/84/836197884.db2.gz BBOWCTYZWKNAOE-UHFFFAOYSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266460400 836292950 /nfs/dbraw/zinc/29/29/50/836292950.db2.gz ZQSDOCQHHBLTBO-HZPDHXFCSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266460400 836292957 /nfs/dbraw/zinc/29/29/57/836292957.db2.gz ZQSDOCQHHBLTBO-HZPDHXFCSA-N 2 2 314.433 1.249 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465331 836299288 /nfs/dbraw/zinc/29/92/88/836299288.db2.gz UHCWRFBAGPGXIK-HNNXBMFYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267658957 838599680 /nfs/dbraw/zinc/59/96/80/838599680.db2.gz UJSAIWBKJNQNHU-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267658957 838599686 /nfs/dbraw/zinc/59/96/86/838599686.db2.gz UJSAIWBKJNQNHU-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267687044 838639453 /nfs/dbraw/zinc/63/94/53/838639453.db2.gz XTIAYQWMCPLUIN-MRXNPFEDSA-N 2 2 302.422 1.542 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001267791257 838984704 /nfs/dbraw/zinc/98/47/04/838984704.db2.gz WVXITHLLBZGMBI-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001267791257 838984710 /nfs/dbraw/zinc/98/47/10/838984710.db2.gz WVXITHLLBZGMBI-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001268690012 840677806 /nfs/dbraw/zinc/67/78/06/840677806.db2.gz HFYMEPOIYVDYKS-LXSPXAAKSA-N 2 2 318.248 1.497 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001268690012 840677812 /nfs/dbraw/zinc/67/78/12/840677812.db2.gz HFYMEPOIYVDYKS-LXSPXAAKSA-N 2 2 318.248 1.497 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ocnc1C ZINC001269417482 841625867 /nfs/dbraw/zinc/62/58/67/841625867.db2.gz JKEBVXADZDUTOG-CABCVRRESA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ocnc1C ZINC001269417482 841625874 /nfs/dbraw/zinc/62/58/74/841625874.db2.gz JKEBVXADZDUTOG-CABCVRRESA-N 2 2 318.421 1.065 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001326386824 861321524 /nfs/dbraw/zinc/32/15/24/861321524.db2.gz LBARMZNSDHKBIN-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001326386824 861321543 /nfs/dbraw/zinc/32/15/43/861321543.db2.gz LBARMZNSDHKBIN-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271277053 843462402 /nfs/dbraw/zinc/46/24/02/843462402.db2.gz DMKIBIFELSLJOM-HOTGVXAUSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001271585729 843715173 /nfs/dbraw/zinc/71/51/73/843715173.db2.gz UBKMAUKJSAVLKK-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001271585729 843715185 /nfs/dbraw/zinc/71/51/85/843715185.db2.gz UBKMAUKJSAVLKK-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001272494857 846211626 /nfs/dbraw/zinc/21/16/26/846211626.db2.gz WXPUQOZENPNOIR-HNNXBMFYSA-N 2 2 310.401 1.799 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632586 861766766 /nfs/dbraw/zinc/76/67/66/861766766.db2.gz UAHSLALNKTWHIG-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281907 848247394 /nfs/dbraw/zinc/24/73/94/848247394.db2.gz LMKMGBJXIPOGDU-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281907 848247403 /nfs/dbraw/zinc/24/74/03/848247403.db2.gz LMKMGBJXIPOGDU-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304222 848263620 /nfs/dbraw/zinc/26/36/20/848263620.db2.gz PQYMMZGISNHROD-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304222 848263631 /nfs/dbraw/zinc/26/36/31/848263631.db2.gz PQYMMZGISNHROD-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCCC[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273542086 851079835 /nfs/dbraw/zinc/07/98/35/851079835.db2.gz GXXIARUITXZCEE-UHFFFAOYSA-N 2 2 314.433 1.648 20 30 DDEDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cc(C#N)ccc1O)C2 ZINC001275550397 853320405 /nfs/dbraw/zinc/32/04/05/853320405.db2.gz JOWSAPNXLLJXHP-UHFFFAOYSA-N 2 2 300.406 1.086 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557916 856973063 /nfs/dbraw/zinc/97/30/63/856973063.db2.gz LRTDKJDHCFRUKL-HRCADAONSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001049557916 856973075 /nfs/dbraw/zinc/97/30/75/856973075.db2.gz LRTDKJDHCFRUKL-HRCADAONSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564406 856981451 /nfs/dbraw/zinc/98/14/51/856981451.db2.gz METZLYFOQLEUKS-HZPDHXFCSA-N 2 2 316.405 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564406 856981453 /nfs/dbraw/zinc/98/14/53/856981453.db2.gz METZLYFOQLEUKS-HZPDHXFCSA-N 2 2 316.405 1.048 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864921 857817684 /nfs/dbraw/zinc/81/76/84/857817684.db2.gz WOJASKLBVICJSH-AWEZNQCLSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864921 857817691 /nfs/dbraw/zinc/81/76/91/857817691.db2.gz WOJASKLBVICJSH-AWEZNQCLSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C2)C1 ZINC001073123336 858119721 /nfs/dbraw/zinc/11/97/21/858119721.db2.gz SPFCNWYXWGMZPN-UHFFFAOYSA-N 2 2 323.400 1.601 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C2)C1 ZINC001073123336 858119725 /nfs/dbraw/zinc/11/97/25/858119725.db2.gz SPFCNWYXWGMZPN-UHFFFAOYSA-N 2 2 323.400 1.601 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121896043 858621970 /nfs/dbraw/zinc/62/19/70/858621970.db2.gz LWVZOQAXYWSEMW-QCAIOMPUSA-N 2 2 314.433 1.629 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121896043 858621977 /nfs/dbraw/zinc/62/19/77/858621977.db2.gz LWVZOQAXYWSEMW-QCAIOMPUSA-N 2 2 314.433 1.629 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001122063732 858675815 /nfs/dbraw/zinc/67/58/15/858675815.db2.gz LLMTUOYKALLEPB-UHFFFAOYSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001276983837 881464207 /nfs/dbraw/zinc/46/42/07/881464207.db2.gz SZQMVAKDPVJAGG-SHTZXODSSA-N 2 2 314.433 1.270 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001202931592 860387992 /nfs/dbraw/zinc/38/79/92/860387992.db2.gz FXBBQGUDBPTDQV-UHFFFAOYSA-N 2 2 324.428 1.789 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157154263 863617304 /nfs/dbraw/zinc/61/73/04/863617304.db2.gz YXIUBGFDNAAWPA-NVXWUHKLSA-N 2 2 316.449 1.534 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157154263 863617312 /nfs/dbraw/zinc/61/73/12/863617312.db2.gz YXIUBGFDNAAWPA-NVXWUHKLSA-N 2 2 316.449 1.534 20 30 DDEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001329887143 863921505 /nfs/dbraw/zinc/92/15/05/863921505.db2.gz KBSHVLXOKZEQHM-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330406923 864316996 /nfs/dbraw/zinc/31/69/96/864316996.db2.gz YCNFDQXPWZBJRJ-CVEARBPZSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001330464800 864371659 /nfs/dbraw/zinc/37/16/59/864371659.db2.gz BBPCCWGGYXPZPL-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001330464800 864371677 /nfs/dbraw/zinc/37/16/77/864371677.db2.gz BBPCCWGGYXPZPL-XHSDSOJGSA-N 2 2 316.449 1.755 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001332098821 865575779 /nfs/dbraw/zinc/57/57/79/865575779.db2.gz GNRDUZWRLYTQJG-NVXWUHKLSA-N 2 2 300.406 1.410 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001332098821 865575787 /nfs/dbraw/zinc/57/57/87/865575787.db2.gz GNRDUZWRLYTQJG-NVXWUHKLSA-N 2 2 300.406 1.410 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332530923 865911380 /nfs/dbraw/zinc/91/13/80/865911380.db2.gz YCRKXEHOWPPVKT-CQSZACIVSA-N 2 2 316.405 1.552 20 30 DDEDLP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001332732910 866106257 /nfs/dbraw/zinc/10/62/57/866106257.db2.gz ULKHHZVAGHYCCZ-HUUCEWRRSA-N 2 2 302.422 1.326 20 30 DDEDLP C#CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001332732910 866106262 /nfs/dbraw/zinc/10/62/62/866106262.db2.gz ULKHHZVAGHYCCZ-HUUCEWRRSA-N 2 2 302.422 1.326 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001324336419 867211383 /nfs/dbraw/zinc/21/13/83/867211383.db2.gz ZAFGZAUNCBAIOP-HNNXBMFYSA-N 2 2 302.422 1.828 20 30 DDEDLP N#Cc1c2c(cnc1N1CC[NH2+]CC(F)(F)C1)C[NH2+]CCC2 ZINC001164488297 869228346 /nfs/dbraw/zinc/22/83/46/869228346.db2.gz CYXYJXPOUCHROG-UHFFFAOYSA-N 2 2 307.348 1.034 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040794 870152999 /nfs/dbraw/zinc/15/29/99/870152999.db2.gz ZXFWMNNAKPIBLP-OAHLLOKOSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040794 870153009 /nfs/dbraw/zinc/15/30/09/870153009.db2.gz ZXFWMNNAKPIBLP-OAHLLOKOSA-N 2 2 304.438 1.709 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327431 870650125 /nfs/dbraw/zinc/65/01/25/870650125.db2.gz VMPOPNMCKYYFEI-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676816 870706405 /nfs/dbraw/zinc/70/64/05/870706405.db2.gz HMZVBJMGQNGRCH-HOTGVXAUSA-N 2 2 314.433 1.393 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501334 870929588 /nfs/dbraw/zinc/92/95/88/870929588.db2.gz BTOPIADMAOTNAN-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501334 870929598 /nfs/dbraw/zinc/92/95/98/870929598.db2.gz BTOPIADMAOTNAN-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001340190688 870949152 /nfs/dbraw/zinc/94/91/52/870949152.db2.gz MIRORHLDIWHQTH-AWEZNQCLSA-N 2 2 307.463 1.906 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001340190688 870949158 /nfs/dbraw/zinc/94/91/58/870949158.db2.gz MIRORHLDIWHQTH-AWEZNQCLSA-N 2 2 307.463 1.906 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001318803756 872278530 /nfs/dbraw/zinc/27/85/30/872278530.db2.gz HEBALTFPAHFNRK-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001206731783 872540273 /nfs/dbraw/zinc/54/02/73/872540273.db2.gz PMPLYFKFXMEMBL-UHFFFAOYSA-N 2 2 321.465 1.256 20 30 DDEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319622062 872722160 /nfs/dbraw/zinc/72/21/60/872722160.db2.gz XPFMYMFLSLCUGQ-GJZGRUSLSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733840 873512033 /nfs/dbraw/zinc/51/20/33/873512033.db2.gz JVVYZTJFDOYRSX-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733840 873512045 /nfs/dbraw/zinc/51/20/45/873512045.db2.gz JVVYZTJFDOYRSX-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669519 875482570 /nfs/dbraw/zinc/48/25/70/875482570.db2.gz YCTFTJRCZQYBCL-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c[nH+]ccc2N)cc1C#N ZINC001276713074 876418808 /nfs/dbraw/zinc/41/88/08/876418808.db2.gz GGCKYAHVZATKDD-CALCHBBNSA-N 2 2 322.416 1.163 20 30 DDEDLP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c[nH+]ccc2N)cc1C#N ZINC001276713074 876418816 /nfs/dbraw/zinc/41/88/16/876418816.db2.gz GGCKYAHVZATKDD-CALCHBBNSA-N 2 2 322.416 1.163 20 30 DDEDLP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791139 877615611 /nfs/dbraw/zinc/61/56/11/877615611.db2.gz SWGUYKDJGUQHFC-LSDHHAIUSA-N 2 2 306.410 1.055 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001219045112 877887129 /nfs/dbraw/zinc/88/71/29/877887129.db2.gz YLNHSNRJXIZRBQ-AWEZNQCLSA-N 2 2 308.345 1.282 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852673 879317391 /nfs/dbraw/zinc/31/73/91/879317391.db2.gz RYBSXYXMTKCQSR-CVEARBPZSA-N 2 2 320.437 1.168 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852673 879317409 /nfs/dbraw/zinc/31/74/09/879317409.db2.gz RYBSXYXMTKCQSR-CVEARBPZSA-N 2 2 320.437 1.168 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989132 880178500 /nfs/dbraw/zinc/17/85/00/880178500.db2.gz XFCWAGPFNFDJGC-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989132 880178510 /nfs/dbraw/zinc/17/85/10/880178510.db2.gz XFCWAGPFNFDJGC-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277883531 888191307 /nfs/dbraw/zinc/19/13/07/888191307.db2.gz JTTRYEKWFGOARX-GDBMZVCRSA-N 2 2 300.406 1.049 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(CC#N)C3)c(F)c2)CC1 ZINC001236930605 889427339 /nfs/dbraw/zinc/42/73/39/889427339.db2.gz DRXBXKSRMXJVSO-UHFFFAOYSA-N 2 2 302.397 1.923 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001278208685 890151717 /nfs/dbraw/zinc/15/17/17/890151717.db2.gz ZOJHKIREEMLMSP-OAHLLOKOSA-N 2 2 320.412 1.557 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001246307246 892528697 /nfs/dbraw/zinc/52/86/97/892528697.db2.gz LMHDHTWHKRZNEL-CVEARBPZSA-N 3 2 309.454 1.287 20 30 DDEDLP CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252048016 894980795 /nfs/dbraw/zinc/98/07/95/894980795.db2.gz SYZCNWDODZQXOG-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001252559452 895281109 /nfs/dbraw/zinc/28/11/09/895281109.db2.gz XHSTVWMHUXYOLR-KRWDZBQOSA-N 2 2 317.437 1.136 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278681915 895441887 /nfs/dbraw/zinc/44/18/87/895441887.db2.gz NXOIKCOXMLDGBU-QGZVFWFLSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278681915 895441895 /nfs/dbraw/zinc/44/18/95/895441895.db2.gz NXOIKCOXMLDGBU-QGZVFWFLSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278787214 896466021 /nfs/dbraw/zinc/46/60/21/896466021.db2.gz VXSKCOHJHOVYNS-HNNXBMFYSA-N 2 2 303.406 1.053 20 30 DDEDLP C#CCC[N@H+](C)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001264988813 901401472 /nfs/dbraw/zinc/40/14/72/901401472.db2.gz CWEFEBQNHUKOAX-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CCC[N@@H+](C)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001264988813 901401475 /nfs/dbraw/zinc/40/14/75/901401475.db2.gz CWEFEBQNHUKOAX-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265485082 902064083 /nfs/dbraw/zinc/06/40/83/902064083.db2.gz WYSUZQFPVXTWBY-HDJSIYSDSA-N 2 2 314.389 1.616 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266223329 903145279 /nfs/dbraw/zinc/14/52/79/903145279.db2.gz OBBFGKZQPHKRRQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266223329 903145289 /nfs/dbraw/zinc/14/52/89/903145289.db2.gz OBBFGKZQPHKRRQ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001393883367 908155130 /nfs/dbraw/zinc/15/51/30/908155130.db2.gz JNABWPIGFHLXHI-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001393883367 908155138 /nfs/dbraw/zinc/15/51/38/908155138.db2.gz JNABWPIGFHLXHI-AWEZNQCLSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375437847 915924517 /nfs/dbraw/zinc/92/45/17/915924517.db2.gz LFZMNXFSHMWAIB-GFCCVEGCSA-N 2 2 308.813 1.436 20 30 DDEDLP C=C(C)COc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1OC ZINC000623758224 366038650 /nfs/dbraw/zinc/03/86/50/366038650.db2.gz SXDUDFASRYRCMM-MRXNPFEDSA-N 2 2 320.433 1.806 20 30 DDEDLP C=C(C)COc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccc1OC ZINC000623758224 366038660 /nfs/dbraw/zinc/03/86/60/366038660.db2.gz SXDUDFASRYRCMM-MRXNPFEDSA-N 2 2 320.433 1.806 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cscc3C#N)C2)CC1 ZINC000590243326 355060539 /nfs/dbraw/zinc/06/05/39/355060539.db2.gz RPVAFGYLYSLPRP-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cscc3C#N)C2)CC1 ZINC000590243326 355060544 /nfs/dbraw/zinc/06/05/44/355060544.db2.gz RPVAFGYLYSLPRP-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000591664620 355357109 /nfs/dbraw/zinc/35/71/09/355357109.db2.gz LTHDJOMGHOKFIO-OIISXLGYSA-N 2 2 303.381 1.775 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000591664620 355357111 /nfs/dbraw/zinc/35/71/11/355357111.db2.gz LTHDJOMGHOKFIO-OIISXLGYSA-N 2 2 303.381 1.775 20 30 DDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592071875 355483171 /nfs/dbraw/zinc/48/31/71/355483171.db2.gz TUUHURCDWXSLMP-QGZVFWFLSA-N 2 2 302.422 1.886 20 30 DDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071875 355483172 /nfs/dbraw/zinc/48/31/72/355483172.db2.gz TUUHURCDWXSLMP-QGZVFWFLSA-N 2 2 302.422 1.886 20 30 DDEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592071873 355483274 /nfs/dbraw/zinc/48/32/74/355483274.db2.gz TUUHURCDWXSLMP-KRWDZBQOSA-N 2 2 302.422 1.886 20 30 DDEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071873 355483276 /nfs/dbraw/zinc/48/32/76/355483276.db2.gz TUUHURCDWXSLMP-KRWDZBQOSA-N 2 2 302.422 1.886 20 30 DDEDLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181738 355819157 /nfs/dbraw/zinc/81/91/57/355819157.db2.gz GHSPPBHIVKLPIR-INIZCTEOSA-N 2 2 302.422 1.652 20 30 DDEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181738 355819160 /nfs/dbraw/zinc/81/91/60/355819160.db2.gz GHSPPBHIVKLPIR-INIZCTEOSA-N 2 2 302.422 1.652 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597989548 357407085 /nfs/dbraw/zinc/40/70/85/357407085.db2.gz FXVWHISBJGZKQJ-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597989548 357407091 /nfs/dbraw/zinc/40/70/91/357407091.db2.gz FXVWHISBJGZKQJ-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000599305851 357884878 /nfs/dbraw/zinc/88/48/78/357884878.db2.gz AENQYOPAPWTZHT-OAHLLOKOSA-N 2 2 318.421 1.660 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000602604173 359067772 /nfs/dbraw/zinc/06/77/72/359067772.db2.gz XZPIBFZRZGRYNM-UONOGXRCSA-N 2 2 303.410 1.441 20 30 DDEDLP O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329890836 223042563 /nfs/dbraw/zinc/04/25/63/223042563.db2.gz GWLQFGNHTJPKGL-QGZVFWFLSA-N 2 2 323.437 1.061 20 30 DDEDLP O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329890836 223042565 /nfs/dbraw/zinc/04/25/65/223042565.db2.gz GWLQFGNHTJPKGL-QGZVFWFLSA-N 2 2 323.437 1.061 20 30 DDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000281498589 216343272 /nfs/dbraw/zinc/34/32/72/216343272.db2.gz XXTANBJIMHOTAL-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000281498589 216343274 /nfs/dbraw/zinc/34/32/74/216343274.db2.gz XXTANBJIMHOTAL-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP CC[NH+](CC)CCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000338297168 249890635 /nfs/dbraw/zinc/89/06/35/249890635.db2.gz PUAPRTOYCWWGAN-UHFFFAOYSA-N 2 2 301.438 1.807 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835279 406942660 /nfs/dbraw/zinc/94/26/60/406942660.db2.gz XRIRRHZHWJFKKT-QGZVFWFLSA-N 2 2 305.466 1.995 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835279 406942662 /nfs/dbraw/zinc/94/26/62/406942662.db2.gz XRIRRHZHWJFKKT-QGZVFWFLSA-N 2 2 305.466 1.995 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000124326063 407354525 /nfs/dbraw/zinc/35/45/25/407354525.db2.gz MCFNEESSXROANN-MRXNPFEDSA-N 2 2 314.389 1.517 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139896976 408174182 /nfs/dbraw/zinc/17/41/82/408174182.db2.gz MCJUKTCZCOJEMI-ULQDDVLXSA-N 2 2 312.417 1.501 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139896976 408174185 /nfs/dbraw/zinc/17/41/85/408174185.db2.gz MCJUKTCZCOJEMI-ULQDDVLXSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139896976 408174190 /nfs/dbraw/zinc/17/41/90/408174190.db2.gz MCJUKTCZCOJEMI-ULQDDVLXSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139896976 408174195 /nfs/dbraw/zinc/17/41/95/408174195.db2.gz MCJUKTCZCOJEMI-ULQDDVLXSA-N 2 2 312.417 1.501 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191316176 408403704 /nfs/dbraw/zinc/40/37/04/408403704.db2.gz DPDIVKHRINFUNC-OAHLLOKOSA-N 2 2 302.422 1.441 20 30 DDEDLP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000191316176 408403709 /nfs/dbraw/zinc/40/37/09/408403709.db2.gz DPDIVKHRINFUNC-OAHLLOKOSA-N 2 2 302.422 1.441 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000162596563 408717101 /nfs/dbraw/zinc/71/71/01/408717101.db2.gz STEVHDJGJNWGDA-KRWDZBQOSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000162596563 408717107 /nfs/dbraw/zinc/71/71/07/408717107.db2.gz STEVHDJGJNWGDA-KRWDZBQOSA-N 2 2 312.417 1.297 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000293701442 409163587 /nfs/dbraw/zinc/16/35/87/409163587.db2.gz CUXDOBOPBMXKMQ-UHFFFAOYSA-N 2 2 301.434 1.626 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000293701442 409163590 /nfs/dbraw/zinc/16/35/90/409163590.db2.gz CUXDOBOPBMXKMQ-UHFFFAOYSA-N 2 2 301.434 1.626 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000316807917 409858319 /nfs/dbraw/zinc/85/83/19/409858319.db2.gz DSQZJDOTCVNSAO-ZDUSSCGKSA-N 2 2 318.402 1.207 20 30 DDEDLP Cc1[nH+]ccn1CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000329071522 410085377 /nfs/dbraw/zinc/08/53/77/410085377.db2.gz NVHICFQBMSJVFD-UHFFFAOYSA-N 2 2 305.426 1.666 20 30 DDEDLP CN(C(=O)CC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000357657907 410168425 /nfs/dbraw/zinc/16/84/25/410168425.db2.gz OAWMHTIMTMTLJH-HOTGVXAUSA-N 2 2 306.454 1.696 20 30 DDEDLP CN(C(=O)CC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357657907 410168430 /nfs/dbraw/zinc/16/84/30/410168430.db2.gz OAWMHTIMTMTLJH-HOTGVXAUSA-N 2 2 306.454 1.696 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000358303832 410440119 /nfs/dbraw/zinc/44/01/19/410440119.db2.gz WVBRTYZROYUUGP-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000358303832 410440124 /nfs/dbraw/zinc/44/01/24/410440124.db2.gz WVBRTYZROYUUGP-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP N#CC1(CCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000366896128 418533391 /nfs/dbraw/zinc/53/33/91/418533391.db2.gz LMJGIIPHQAJSDX-KRWDZBQOSA-N 2 2 321.465 1.741 20 30 DDEDLP N#CC1(CCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000366896128 418533395 /nfs/dbraw/zinc/53/33/95/418533395.db2.gz LMJGIIPHQAJSDX-KRWDZBQOSA-N 2 2 321.465 1.741 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000361159515 418594966 /nfs/dbraw/zinc/59/49/66/418594966.db2.gz MMFRYAHNVAGNDL-UHFFFAOYSA-N 2 2 316.430 1.721 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246958343 222226485 /nfs/dbraw/zinc/22/64/85/222226485.db2.gz FYXAYDCFXPLPRH-DLBZAZTESA-N 2 2 320.481 1.945 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246958343 222226488 /nfs/dbraw/zinc/22/64/88/222226488.db2.gz FYXAYDCFXPLPRH-DLBZAZTESA-N 2 2 320.481 1.945 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1c(C)noc1C ZINC000261650367 222252709 /nfs/dbraw/zinc/25/27/09/222252709.db2.gz BABFXGDQXVAOSN-UHFFFAOYSA-N 2 2 311.455 1.005 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264146029 222325294 /nfs/dbraw/zinc/32/52/94/222325294.db2.gz XWFJWARCJJKDIM-IAGOWNOFSA-N 3 2 317.481 1.678 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264146029 222325299 /nfs/dbraw/zinc/32/52/99/222325299.db2.gz XWFJWARCJJKDIM-IAGOWNOFSA-N 3 2 317.481 1.678 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](COC)C1 ZINC000262488237 222283083 /nfs/dbraw/zinc/28/30/83/222283083.db2.gz UAGUEIPSRJKKHS-CYBMUJFWSA-N 2 2 305.426 1.263 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264090102 222315623 /nfs/dbraw/zinc/31/56/23/222315623.db2.gz KUCAEEGKJMTBFF-LLVKDONJSA-N 2 2 305.357 1.451 20 30 DDEDLP C[NH+]1CCC(CNC(=O)C(C)(C)C#N)([NH+]2CCCCC2)CC1 ZINC000369649454 418735905 /nfs/dbraw/zinc/73/59/05/418735905.db2.gz RCSQTJVBHPTZNL-UHFFFAOYSA-N 2 2 306.454 1.603 20 30 DDEDLP N#Cc1ccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422990265 227300796 /nfs/dbraw/zinc/30/07/96/227300796.db2.gz NBFLVKIZJBUFMS-DLBZAZTESA-N 2 2 301.390 1.294 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455523664 421029778 /nfs/dbraw/zinc/02/97/78/421029778.db2.gz OTNMBFSRJOTGJJ-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455523664 421029782 /nfs/dbraw/zinc/02/97/82/421029782.db2.gz OTNMBFSRJOTGJJ-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000530335785 421595373 /nfs/dbraw/zinc/59/53/73/421595373.db2.gz XBJMPYDYBBDGIE-ILXRZTDVSA-N 2 2 315.421 1.717 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000530335785 421595375 /nfs/dbraw/zinc/59/53/75/421595375.db2.gz XBJMPYDYBBDGIE-ILXRZTDVSA-N 2 2 315.421 1.717 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ncc3c(c2C#N)CCC3)CC1 ZINC000583560745 422185863 /nfs/dbraw/zinc/18/58/63/422185863.db2.gz ISUCAFAASIZJOW-UHFFFAOYSA-N 2 2 313.449 1.880 20 30 DDEDLP C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631246765 422628267 /nfs/dbraw/zinc/62/82/67/422628267.db2.gz IAQXZSXCCSQGIT-MRXNPFEDSA-N 2 2 305.466 1.970 20 30 DDEDLP C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631246765 422628271 /nfs/dbraw/zinc/62/82/71/422628271.db2.gz IAQXZSXCCSQGIT-MRXNPFEDSA-N 2 2 305.466 1.970 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655712046 424643024 /nfs/dbraw/zinc/64/30/24/424643024.db2.gz LSNAWAVPSFKSFK-SFHVURJKSA-N 3 2 307.482 1.870 20 30 DDEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606099 267003372 /nfs/dbraw/zinc/00/33/72/267003372.db2.gz CVAIXUHIVOVPAQ-HOCLYGCPSA-N 2 2 310.405 1.575 20 30 DDEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606099 267003375 /nfs/dbraw/zinc/00/33/75/267003375.db2.gz CVAIXUHIVOVPAQ-HOCLYGCPSA-N 2 2 310.405 1.575 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000530232091 268298880 /nfs/dbraw/zinc/29/88/80/268298880.db2.gz MXBVQXFJDNCXPD-CABCVRRESA-N 2 2 312.373 1.099 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262007157 276096110 /nfs/dbraw/zinc/09/61/10/276096110.db2.gz VWEBOAKXBZNSKI-SWLSCSKDSA-N 2 2 306.458 1.502 20 30 DDEDLP CC[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262007157 276096111 /nfs/dbraw/zinc/09/61/11/276096111.db2.gz VWEBOAKXBZNSKI-SWLSCSKDSA-N 2 2 306.458 1.502 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289426778 334165219 /nfs/dbraw/zinc/16/52/19/334165219.db2.gz RFSWVUKBAHDKEF-WMZOPIPTSA-N 2 2 314.433 1.784 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289426778 334165220 /nfs/dbraw/zinc/16/52/20/334165220.db2.gz RFSWVUKBAHDKEF-WMZOPIPTSA-N 2 2 314.433 1.784 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516396497 338011753 /nfs/dbraw/zinc/01/17/53/338011753.db2.gz QXUCRLGLDAAHQS-DAYGRLMNSA-N 2 2 315.417 1.947 20 30 DDEDLP N#CC1(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000565157074 341518554 /nfs/dbraw/zinc/51/85/54/341518554.db2.gz LLODQLKGWBFFGB-UHFFFAOYSA-N 2 2 303.410 1.632 20 30 DDEDLP C=CC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661377503 485078364 /nfs/dbraw/zinc/07/83/64/485078364.db2.gz OKTMLWRLMZCECA-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661377503 485078369 /nfs/dbraw/zinc/07/83/69/485078369.db2.gz OKTMLWRLMZCECA-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000490761678 526950936 /nfs/dbraw/zinc/95/09/36/526950936.db2.gz VROAZUTZOMMNMA-LPHOPBHVSA-N 2 2 311.429 1.457 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000490761678 526950942 /nfs/dbraw/zinc/95/09/42/526950942.db2.gz VROAZUTZOMMNMA-LPHOPBHVSA-N 2 2 311.429 1.457 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490867069 527030637 /nfs/dbraw/zinc/03/06/37/527030637.db2.gz YXFDAKBHBFTKPD-FUHWJXTLSA-N 2 2 324.428 1.969 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274175 696725114 /nfs/dbraw/zinc/72/51/14/696725114.db2.gz MIHWOGSAEWHNDB-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274175 696725116 /nfs/dbraw/zinc/72/51/16/696725116.db2.gz MIHWOGSAEWHNDB-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818204 695101956 /nfs/dbraw/zinc/10/19/56/695101956.db2.gz NESXWFMAOJXTBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818204 695101958 /nfs/dbraw/zinc/10/19/58/695101958.db2.gz NESXWFMAOJXTBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818204 695101961 /nfs/dbraw/zinc/10/19/61/695101961.db2.gz NESXWFMAOJXTBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818204 695101963 /nfs/dbraw/zinc/10/19/63/695101963.db2.gz NESXWFMAOJXTBX-GJZGRUSLSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746573 695725339 /nfs/dbraw/zinc/72/53/39/695725339.db2.gz YKEWXPYEWRHAQK-OAHLLOKOSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974746573 695725341 /nfs/dbraw/zinc/72/53/41/695725341.db2.gz YKEWXPYEWRHAQK-OAHLLOKOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975043696 695784286 /nfs/dbraw/zinc/78/42/86/695784286.db2.gz FVJUSHLAENPYNH-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975043696 695784287 /nfs/dbraw/zinc/78/42/87/695784287.db2.gz FVJUSHLAENPYNH-FMKPAKJESA-N 2 2 314.433 1.374 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910223 696965122 /nfs/dbraw/zinc/96/51/22/696965122.db2.gz RPQWYRGDSFKQCW-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910223 696965125 /nfs/dbraw/zinc/96/51/25/696965125.db2.gz RPQWYRGDSFKQCW-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330302 697067368 /nfs/dbraw/zinc/06/73/68/697067368.db2.gz CFOCZEOIECPEFW-HNNXBMFYSA-N 2 2 300.406 1.318 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981330302 697067370 /nfs/dbraw/zinc/06/73/70/697067370.db2.gz CFOCZEOIECPEFW-HNNXBMFYSA-N 2 2 300.406 1.318 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454466 697101339 /nfs/dbraw/zinc/10/13/39/697101339.db2.gz RNSVPRRLJIPQIK-HUUCEWRRSA-N 2 2 323.400 1.531 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602212 698161062 /nfs/dbraw/zinc/16/10/62/698161062.db2.gz AMZMMSXYAGDHJT-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989486821 698640232 /nfs/dbraw/zinc/64/02/32/698640232.db2.gz GOZZKJXVWINTGF-CXAGYDPISA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989639108 698704206 /nfs/dbraw/zinc/70/42/06/698704206.db2.gz SQQRAXRPRAKNTG-KBPBESRZSA-N 2 2 311.389 1.646 20 30 DDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275606 701511572 /nfs/dbraw/zinc/51/15/72/701511572.db2.gz ZBDMFDYQLZMEPG-ZBFHGGJFSA-N 2 2 320.481 1.502 20 30 DDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275606 701511573 /nfs/dbraw/zinc/51/15/73/701511573.db2.gz ZBDMFDYQLZMEPG-ZBFHGGJFSA-N 2 2 320.481 1.502 20 30 DDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCO1 ZINC000812756904 702234495 /nfs/dbraw/zinc/23/44/95/702234495.db2.gz CDASSGBIERHDKC-JKSUJKDBSA-N 2 2 308.422 1.174 20 30 DDEDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232007 706655752 /nfs/dbraw/zinc/65/57/52/706655752.db2.gz DUVSJEJRIZCUPK-LSDHHAIUSA-N 2 2 316.449 1.940 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)o2)CC1 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CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038504349 742799764 /nfs/dbraw/zinc/79/97/64/742799764.db2.gz YQRRZGIDOIXOPU-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952367 743408379 /nfs/dbraw/zinc/40/83/79/743408379.db2.gz WJUSCOGVRVMRBA-RVKKMQEKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CC2 ZINC001035736461 751830188 /nfs/dbraw/zinc/83/01/88/751830188.db2.gz UZHDNMCNLBUGLK-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272606 743997499 /nfs/dbraw/zinc/99/74/99/743997499.db2.gz GTIVNJRKPUYCOY-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533549 744055141 /nfs/dbraw/zinc/05/51/41/744055141.db2.gz GNYXKLBEPMHQSC-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533549 744055144 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304.438 1.993 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992401696 744856526 /nfs/dbraw/zinc/85/65/26/744856526.db2.gz XNJGNLQFRBOFLG-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992401696 744856527 /nfs/dbraw/zinc/85/65/27/744856527.db2.gz XNJGNLQFRBOFLG-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992423543 744869207 /nfs/dbraw/zinc/86/92/07/744869207.db2.gz FODUVPYCEBOKNR-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992423543 744869210 /nfs/dbraw/zinc/86/92/10/744869210.db2.gz FODUVPYCEBOKNR-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382272 745488578 /nfs/dbraw/zinc/48/85/78/745488578.db2.gz AXNOSOYMWFTGGG-HNNXBMFYSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191382272 745488582 /nfs/dbraw/zinc/48/85/82/745488582.db2.gz AXNOSOYMWFTGGG-HNNXBMFYSA-N 2 2 314.433 1.318 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333088 745609857 /nfs/dbraw/zinc/60/98/57/745609857.db2.gz CZKOZYRBNYVQFX-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705197 745946494 /nfs/dbraw/zinc/94/64/94/745946494.db2.gz WGZXSFKCVVKMKE-RBSFLKMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993527037 746197824 /nfs/dbraw/zinc/19/78/24/746197824.db2.gz YKWROAVZOYDZRL-ZFWWWQNUSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993527037 746197825 /nfs/dbraw/zinc/19/78/25/746197825.db2.gz YKWROAVZOYDZRL-ZFWWWQNUSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993604062 746227446 /nfs/dbraw/zinc/22/74/46/746227446.db2.gz 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C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001003132726 747000827 /nfs/dbraw/zinc/00/08/27/747000827.db2.gz FSEWXHAUUHEGSW-UHFFFAOYSA-N 2 2 303.406 1.789 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198003017 747331582 /nfs/dbraw/zinc/33/15/82/747331582.db2.gz YTTUZJYKGKIRJX-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001198003017 747331589 /nfs/dbraw/zinc/33/15/89/747331589.db2.gz YTTUZJYKGKIRJX-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044442 748489851 /nfs/dbraw/zinc/48/98/51/748489851.db2.gz RQNQNKQSFHVNGJ-HUUCEWRRSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044442 748489852 /nfs/dbraw/zinc/48/98/52/748489852.db2.gz RQNQNKQSFHVNGJ-HUUCEWRRSA-N 2 2 311.857 1.804 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089871541 748514892 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2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033879408 750018827 /nfs/dbraw/zinc/01/88/27/750018827.db2.gz FZFJRMJZHLWINH-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033879408 750018833 /nfs/dbraw/zinc/01/88/33/750018833.db2.gz FZFJRMJZHLWINH-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076538 750351280 /nfs/dbraw/zinc/35/12/80/750351280.db2.gz MLVTYLGUVHPMCJ-FPCVCCKLSA-N 2 2 300.406 1.579 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076538 750351286 /nfs/dbraw/zinc/35/12/86/750351286.db2.gz MLVTYLGUVHPMCJ-FPCVCCKLSA-N 2 2 300.406 1.579 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405921 750599826 /nfs/dbraw/zinc/59/98/26/750599826.db2.gz SBABOMYDYXONOR-SZMVWBNQSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405921 750599828 /nfs/dbraw/zinc/59/98/28/750599828.db2.gz SBABOMYDYXONOR-SZMVWBNQSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405921 750599831 /nfs/dbraw/zinc/59/98/31/750599831.db2.gz SBABOMYDYXONOR-SZMVWBNQSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405921 750599834 /nfs/dbraw/zinc/59/98/34/750599834.db2.gz SBABOMYDYXONOR-SZMVWBNQSA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941206 750754279 /nfs/dbraw/zinc/75/42/79/750754279.db2.gz AARPFBLNLSXXND-SJLPKXTDSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941206 750754281 /nfs/dbraw/zinc/75/42/81/750754281.db2.gz AARPFBLNLSXXND-SJLPKXTDSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941206 750754283 /nfs/dbraw/zinc/75/42/83/750754283.db2.gz AARPFBLNLSXXND-SJLPKXTDSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941206 750754285 /nfs/dbraw/zinc/75/42/85/750754285.db2.gz AARPFBLNLSXXND-SJLPKXTDSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107953264 750850062 /nfs/dbraw/zinc/85/00/62/750850062.db2.gz WSBXVLCJVFJZAB-UXLLHSPISA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953264 750850069 /nfs/dbraw/zinc/85/00/69/750850069.db2.gz WSBXVLCJVFJZAB-UXLLHSPISA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953264 750850077 /nfs/dbraw/zinc/85/00/77/750850077.db2.gz WSBXVLCJVFJZAB-UXLLHSPISA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953264 750850086 /nfs/dbraw/zinc/85/00/86/750850086.db2.gz WSBXVLCJVFJZAB-UXLLHSPISA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997649779 751180412 /nfs/dbraw/zinc/18/04/12/751180412.db2.gz RYTFPGJTPPIMCV-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC001035142040 751224414 /nfs/dbraw/zinc/22/44/14/751224414.db2.gz NBEATOWYAGLCEZ-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035237282 751321177 /nfs/dbraw/zinc/32/11/77/751321177.db2.gz UKRTZRSMMIEVOU-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035237282 751321183 /nfs/dbraw/zinc/32/11/83/751321183.db2.gz UKRTZRSMMIEVOU-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035237282 751321188 /nfs/dbraw/zinc/32/11/88/751321188.db2.gz UKRTZRSMMIEVOU-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035237282 751321193 /nfs/dbraw/zinc/32/11/93/751321193.db2.gz UKRTZRSMMIEVOU-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537409 752980271 /nfs/dbraw/zinc/98/02/71/752980271.db2.gz SFOUWNVTXWAMPF-KBPBESRZSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180771 753100380 /nfs/dbraw/zinc/10/03/80/753100380.db2.gz IGVSLKYDDGPFEQ-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009180771 753100383 /nfs/dbraw/zinc/10/03/83/753100383.db2.gz IGVSLKYDDGPFEQ-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864538 762279284 /nfs/dbraw/zinc/27/92/84/762279284.db2.gz XTUXPPVINIHGOS-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864538 762279289 /nfs/dbraw/zinc/27/92/89/762279289.db2.gz XTUXPPVINIHGOS-INIZCTEOSA-N 2 2 312.417 1.217 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739708 755559731 /nfs/dbraw/zinc/55/97/31/755559731.db2.gz DJPYURLJDIWQSV-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739708 755559732 /nfs/dbraw/zinc/55/97/32/755559732.db2.gz DJPYURLJDIWQSV-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947883 755649050 /nfs/dbraw/zinc/64/90/50/755649050.db2.gz QCNRQUFAGDWOQF-UKRRQHHQSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947883 755649053 /nfs/dbraw/zinc/64/90/53/755649053.db2.gz QCNRQUFAGDWOQF-UKRRQHHQSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014709146 755900699 /nfs/dbraw/zinc/90/06/99/755900699.db2.gz ABALMCPQPCSTTQ-LSDHHAIUSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014709146 755900706 /nfs/dbraw/zinc/90/07/06/755900706.db2.gz ABALMCPQPCSTTQ-LSDHHAIUSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709146 755900712 /nfs/dbraw/zinc/90/07/12/755900712.db2.gz ABALMCPQPCSTTQ-LSDHHAIUSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014709146 755900718 /nfs/dbraw/zinc/90/07/18/755900718.db2.gz ABALMCPQPCSTTQ-LSDHHAIUSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465951 757583097 /nfs/dbraw/zinc/58/30/97/757583097.db2.gz YYFUBIWURSTCIM-IIAWOOMASA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465951 757583101 /nfs/dbraw/zinc/58/31/01/757583101.db2.gz YYFUBIWURSTCIM-IIAWOOMASA-N 2 2 300.406 1.164 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084510984 757629994 /nfs/dbraw/zinc/62/99/94/757629994.db2.gz DBDLUYFVNHGGCK-RHSMWYFYSA-N 2 2 321.384 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084510984 757630002 /nfs/dbraw/zinc/63/00/02/757630002.db2.gz DBDLUYFVNHGGCK-RHSMWYFYSA-N 2 2 321.384 1.047 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659150 758127722 /nfs/dbraw/zinc/12/77/22/758127722.db2.gz PIHRWVJSZIPOPB-NCOADZHNSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659150 758127728 /nfs/dbraw/zinc/12/77/28/758127728.db2.gz PIHRWVJSZIPOPB-NCOADZHNSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659150 758127732 /nfs/dbraw/zinc/12/77/32/758127732.db2.gz PIHRWVJSZIPOPB-NCOADZHNSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659150 758127734 /nfs/dbraw/zinc/12/77/34/758127734.db2.gz PIHRWVJSZIPOPB-NCOADZHNSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001017681189 758150459 /nfs/dbraw/zinc/15/04/59/758150459.db2.gz LXYKJFFQBASUJJ-HRCADAONSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001017681189 758150461 /nfs/dbraw/zinc/15/04/61/758150461.db2.gz LXYKJFFQBASUJJ-HRCADAONSA-N 2 2 314.433 1.697 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017767737 758217529 /nfs/dbraw/zinc/21/75/29/758217529.db2.gz RPBBZJQMKWBQJB-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017767737 758217537 /nfs/dbraw/zinc/21/75/37/758217537.db2.gz RPBBZJQMKWBQJB-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018026142 758486490 /nfs/dbraw/zinc/48/64/90/758486490.db2.gz LMSNEQPVKIZIJO-KSZLIROESA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018026142 758486493 /nfs/dbraw/zinc/48/64/93/758486493.db2.gz LMSNEQPVKIZIJO-KSZLIROESA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018026142 758486496 /nfs/dbraw/zinc/48/64/96/758486496.db2.gz LMSNEQPVKIZIJO-KSZLIROESA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018026142 758486498 /nfs/dbraw/zinc/48/64/98/758486498.db2.gz LMSNEQPVKIZIJO-KSZLIROESA-N 2 2 317.477 1.948 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001053532536 758538563 /nfs/dbraw/zinc/53/85/63/758538563.db2.gz OWSHMTUAKPSLTC-UHFFFAOYSA-N 2 2 318.421 1.071 20 30 DDEDLP C[NH+](C)C1(CNC(=O)Nc2cccc(C#N)c2)CC[NH+](C)CC1 ZINC001202790635 758850483 /nfs/dbraw/zinc/85/04/83/758850483.db2.gz LANVTZKLJYYJIR-UHFFFAOYSA-N 2 2 315.421 1.706 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682216 759999424 /nfs/dbraw/zinc/99/94/24/759999424.db2.gz PKGJQEYQGPPGFR-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682216 759999432 /nfs/dbraw/zinc/99/94/32/759999432.db2.gz PKGJQEYQGPPGFR-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682696 760003237 /nfs/dbraw/zinc/00/32/37/760003237.db2.gz YZSKOEFNUGLESI-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682696 760003246 /nfs/dbraw/zinc/00/32/46/760003246.db2.gz YZSKOEFNUGLESI-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001054791068 760087121 /nfs/dbraw/zinc/08/71/21/760087121.db2.gz MVFMSMLXSQFLHU-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086372505 761509879 /nfs/dbraw/zinc/50/98/79/761509879.db2.gz JEHMFVCJFYSCHN-XEZPLFJOSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086372505 761509886 /nfs/dbraw/zinc/50/98/86/761509886.db2.gz JEHMFVCJFYSCHN-XEZPLFJOSA-N 2 2 317.437 1.460 20 30 DDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001040953919 762742569 /nfs/dbraw/zinc/74/25/69/762742569.db2.gz JHCFCAMWQMMKIW-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050080910 763105404 /nfs/dbraw/zinc/10/54/04/763105404.db2.gz NCAVAGJPUTZQBZ-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001050080910 763105406 /nfs/dbraw/zinc/10/54/06/763105406.db2.gz NCAVAGJPUTZQBZ-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP 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C=CC[N@@H+]1CCC[C@H]1CNc1cccc(N2CCOCC2)[nH+]1 ZINC001160954147 866215445 /nfs/dbraw/zinc/21/54/45/866215445.db2.gz PRIVSMKIBJWAHO-HNNXBMFYSA-N 2 2 302.422 1.981 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNc1cccc(N2CCOCC2)[nH+]1 ZINC001160954147 866215464 /nfs/dbraw/zinc/21/54/64/866215464.db2.gz PRIVSMKIBJWAHO-HNNXBMFYSA-N 2 2 302.422 1.981 20 30 DDEDLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc(CC#N)cc[nH+]2)CC1 ZINC001161670157 866868641 /nfs/dbraw/zinc/86/86/41/866868641.db2.gz VXQMHTLOJCRVEH-SHTZXODSSA-N 2 2 315.421 1.549 20 30 DDEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162909664 867909688 /nfs/dbraw/zinc/90/96/88/867909688.db2.gz BYXLVHXFNVUDKR-UHFFFAOYSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001162946287 867933876 /nfs/dbraw/zinc/93/38/76/867933876.db2.gz DNBGADOTEIOBCX-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325429867 868024375 /nfs/dbraw/zinc/02/43/75/868024375.db2.gz VJAQFWRUTIMTTO-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP Cc1nnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(C#N)c1C ZINC001164206804 869012356 /nfs/dbraw/zinc/01/23/56/869012356.db2.gz DXLWQGDGYQRYKQ-UHFFFAOYSA-N 2 2 302.426 1.403 20 30 DDEDLP C=C(C)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001317220702 870492549 /nfs/dbraw/zinc/49/25/49/870492549.db2.gz GRHQYWAZQDYUGC-UHFFFAOYSA-N 2 2 304.438 1.946 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203539060 870627945 /nfs/dbraw/zinc/62/79/45/870627945.db2.gz LUYCGHUGNBHYSR-KBPBESRZSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203677338 870706621 /nfs/dbraw/zinc/70/66/21/870706621.db2.gz KPLUUDPEEGNJHH-CVEARBPZSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001317881009 871616729 /nfs/dbraw/zinc/61/67/29/871616729.db2.gz CFRFSBCMOQATMU-UHFFFAOYSA-N 2 2 316.449 1.881 20 30 DDEDLP CC#CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001317881009 871616755 /nfs/dbraw/zinc/61/67/55/871616755.db2.gz CFRFSBCMOQATMU-UHFFFAOYSA-N 2 2 316.449 1.881 20 30 DDEDLP C=CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001317883240 871618522 /nfs/dbraw/zinc/61/85/22/871618522.db2.gz ZJOJWFOPKDLPCD-UHFFFAOYSA-N 2 2 323.481 1.454 20 30 DDEDLP C=CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001317883240 871618540 /nfs/dbraw/zinc/61/85/40/871618540.db2.gz ZJOJWFOPKDLPCD-UHFFFAOYSA-N 2 2 323.481 1.454 20 30 DDEDLP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001318087917 871738138 /nfs/dbraw/zinc/73/81/38/871738138.db2.gz WLGXOZFJJIMLPY-INIZCTEOSA-N 2 2 311.470 1.478 20 30 DDEDLP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001318087917 871738145 /nfs/dbraw/zinc/73/81/45/871738145.db2.gz WLGXOZFJJIMLPY-INIZCTEOSA-N 2 2 311.470 1.478 20 30 DDEDLP CC#CC[N@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317541438 871782772 /nfs/dbraw/zinc/78/27/72/871782772.db2.gz ZYAJFJUUYGVXCX-UHFFFAOYSA-N 2 2 316.449 1.613 20 30 DDEDLP CC#CC[N@@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317541438 871782781 /nfs/dbraw/zinc/78/27/81/871782781.db2.gz ZYAJFJUUYGVXCX-UHFFFAOYSA-N 2 2 316.449 1.613 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342414007 872198208 /nfs/dbraw/zinc/19/82/08/872198208.db2.gz AGDOKZWVBHTHAQ-HNNXBMFYSA-N 2 2 315.421 1.896 20 30 DDEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316946893 872443291 /nfs/dbraw/zinc/44/32/91/872443291.db2.gz FPRXYVJIAIQIFU-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316946893 872443293 /nfs/dbraw/zinc/44/32/93/872443293.db2.gz FPRXYVJIAIQIFU-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208438980 874141601 /nfs/dbraw/zinc/14/16/01/874141601.db2.gz LARKHUHMBVXGJQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450643 874153566 /nfs/dbraw/zinc/15/35/66/874153566.db2.gz JBQOWXYFHPMWAZ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001276610532 874630640 /nfs/dbraw/zinc/63/06/40/874630640.db2.gz BQEVUELOLCYZBC-HNNXBMFYSA-N 2 2 302.422 1.434 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001276625240 874747437 /nfs/dbraw/zinc/74/74/37/874747437.db2.gz UCYVXOVSLOWONU-OAHLLOKOSA-N 2 2 320.437 1.290 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001276625240 874747439 /nfs/dbraw/zinc/74/74/39/874747439.db2.gz UCYVXOVSLOWONU-OAHLLOKOSA-N 2 2 320.437 1.290 20 30 DDEDLP C#CCCC[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209267077 874766365 /nfs/dbraw/zinc/76/63/65/874766365.db2.gz JZXMNLZDBIAQQH-UHFFFAOYSA-N 2 2 311.389 1.107 20 30 DDEDLP C#CCCC[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209267077 874766373 /nfs/dbraw/zinc/76/63/73/874766373.db2.gz JZXMNLZDBIAQQH-UHFFFAOYSA-N 2 2 311.389 1.107 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241915 875858861 /nfs/dbraw/zinc/85/88/61/875858861.db2.gz USUVHYUZZPZYFV-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241915 875858869 /nfs/dbraw/zinc/85/88/69/875858869.db2.gz USUVHYUZZPZYFV-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218561187 877571384 /nfs/dbraw/zinc/57/13/84/877571384.db2.gz YDZYHILMJFUJCI-LBPRGKRZSA-N 2 2 300.366 1.346 20 30 DDEDLP N#Cc1nc2ccc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)cc2s1 ZINC001218910997 877802672 /nfs/dbraw/zinc/80/26/72/877802672.db2.gz UTSUCPUVNQVJRO-SNVBAGLBSA-N 2 2 312.358 1.400 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704964 880015097 /nfs/dbraw/zinc/01/50/97/880015097.db2.gz MFJLOLGAUZFICW-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221704964 880015113 /nfs/dbraw/zinc/01/51/13/880015113.db2.gz MFJLOLGAUZFICW-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223578083 881012061 /nfs/dbraw/zinc/01/20/61/881012061.db2.gz OIRNLKATYSZVPR-UHFFFAOYSA-N 2 2 304.438 1.941 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381635 884457548 /nfs/dbraw/zinc/45/75/48/884457548.db2.gz BUZZAQSGFJGQSH-KRWDZBQOSA-N 2 2 314.433 1.288 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC23CN(C2CC[NH+](C)CC2)C3)cc1C#N ZINC001277627681 886152547 /nfs/dbraw/zinc/15/25/47/886152547.db2.gz YUJNCDDTQHBCJN-UHFFFAOYSA-N 2 2 313.449 1.251 20 30 DDEDLP Cn1cc(C[N@H+]2CCC23CN(C2CC[NH+](C)CC2)C3)cc1C#N ZINC001277627681 886152562 /nfs/dbraw/zinc/15/25/62/886152562.db2.gz YUJNCDDTQHBCJN-UHFFFAOYSA-N 2 2 313.449 1.251 20 30 DDEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001278078271 889588126 /nfs/dbraw/zinc/58/81/26/889588126.db2.gz UTNHRGIICOWMCZ-HNNXBMFYSA-N 2 2 316.405 1.289 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001278485758 893187522 /nfs/dbraw/zinc/18/75/22/893187522.db2.gz CBTMGWGDBCNZTK-YESZJQIVSA-N 2 2 314.433 1.513 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001251708465 894783717 /nfs/dbraw/zinc/78/37/17/894783717.db2.gz RLRQCZAPMLMJIC-UHFFFAOYSA-N 2 2 315.421 1.233 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528865 897465427 /nfs/dbraw/zinc/46/54/27/897465427.db2.gz MSGLYXQWRDZKBW-OTRWWLKZSA-N 2 2 317.433 1.865 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528865 897465437 /nfs/dbraw/zinc/46/54/37/897465437.db2.gz MSGLYXQWRDZKBW-OTRWWLKZSA-N 2 2 317.433 1.865 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001368104834 898707485 /nfs/dbraw/zinc/70/74/85/898707485.db2.gz XMMHDCUODFMJQK-KBPBESRZSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598382 903345868 /nfs/dbraw/zinc/34/58/68/903345868.db2.gz XINOPPVUQHOECE-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598382 903345885 /nfs/dbraw/zinc/34/58/85/903345885.db2.gz XINOPPVUQHOECE-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001282294820 905668097 /nfs/dbraw/zinc/66/80/97/905668097.db2.gz HJOJADUGFZYBCC-UHFFFAOYSA-N 2 2 316.449 1.469 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282325317 905685267 /nfs/dbraw/zinc/68/52/67/905685267.db2.gz ALTAONRAEXMXEY-OAHLLOKOSA-N 2 2 304.438 1.932 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811784 906066305 /nfs/dbraw/zinc/06/63/05/906066305.db2.gz QAZBIPWXDGZLNT-JKSUJKDBSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811784 906066316 /nfs/dbraw/zinc/06/63/16/906066316.db2.gz QAZBIPWXDGZLNT-JKSUJKDBSA-N 2 2 316.449 1.930 20 30 DDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283204694 906880555 /nfs/dbraw/zinc/88/05/55/906880555.db2.gz USQHQFORQNLQOF-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001374072113 911804505 /nfs/dbraw/zinc/80/45/05/911804505.db2.gz CFZAZPDSANWWSX-LLVKDONJSA-N 2 2 317.418 1.427 20 30 DDEDLP Cc1ccn2cc(CNC(=O)N3CC[NH+](C4CC4)CC3)[nH+]c2c1 ZINC000329116901 539301286 /nfs/dbraw/zinc/30/12/86/539301286.db2.gz NQHKUORPHAXFSO-UHFFFAOYSA-N 2 2 313.405 1.837 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725200 191223199 /nfs/dbraw/zinc/22/31/99/191223199.db2.gz DBLASNBOONGLPP-CVEARBPZSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725200 191223203 /nfs/dbraw/zinc/22/32/03/191223203.db2.gz DBLASNBOONGLPP-CVEARBPZSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725200 191223205 /nfs/dbraw/zinc/22/32/05/191223205.db2.gz DBLASNBOONGLPP-CVEARBPZSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725200 191223207 /nfs/dbraw/zinc/22/32/07/191223207.db2.gz DBLASNBOONGLPP-CVEARBPZSA-N 2 2 308.470 1.801 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320909523 354529781 /nfs/dbraw/zinc/52/97/81/354529781.db2.gz UWXRAMSMCOIKFB-KBAYOESNSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000320909523 354529784 /nfs/dbraw/zinc/52/97/84/354529784.db2.gz UWXRAMSMCOIKFB-KBAYOESNSA-N 2 2 315.417 1.514 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000600732433 358300096 /nfs/dbraw/zinc/30/00/96/358300096.db2.gz ZJXNUQCUYDDOAD-OAHLLOKOSA-N 2 2 314.389 1.495 20 30 DDEDLP C=CCCOCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477737 358570091 /nfs/dbraw/zinc/57/00/91/358570091.db2.gz UCUGNAAPMDRVBI-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCOCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477737 358570096 /nfs/dbraw/zinc/57/00/96/358570096.db2.gz UCUGNAAPMDRVBI-MRXNPFEDSA-N 2 2 309.454 1.206 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878078 359261543 /nfs/dbraw/zinc/26/15/43/359261543.db2.gz UDYVMBLPLFANEU-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878078 359261545 /nfs/dbraw/zinc/26/15/45/359261545.db2.gz UDYVMBLPLFANEU-QGZVFWFLSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)s3)C2)CC1 ZINC000610521709 360460140 /nfs/dbraw/zinc/46/01/40/360460140.db2.gz FHLKYQHVQHASBL-GFCCVEGCSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)s3)C2)CC1 ZINC000610521709 360460144 /nfs/dbraw/zinc/46/01/44/360460144.db2.gz FHLKYQHVQHASBL-GFCCVEGCSA-N 2 2 318.446 1.518 20 30 DDEDLP CN(C)c1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c[nH+]1 ZINC000331188113 223191985 /nfs/dbraw/zinc/19/19/85/223191985.db2.gz VKFDTBHLPGMEFN-CQSZACIVSA-N 2 2 305.426 1.445 20 30 DDEDLP C=C[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)OC ZINC000619701396 364119875 /nfs/dbraw/zinc/11/98/75/364119875.db2.gz HNNBPPZIOLUHEK-HNNXBMFYSA-N 2 2 321.421 1.821 20 30 DDEDLP C=CC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000275251882 212224567 /nfs/dbraw/zinc/22/45/67/212224567.db2.gz PFVVXAVSUVVEST-INIZCTEOSA-N 2 2 308.447 1.998 20 30 DDEDLP C=CC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000275251882 212224570 /nfs/dbraw/zinc/22/45/70/212224570.db2.gz PFVVXAVSUVVEST-INIZCTEOSA-N 2 2 308.447 1.998 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000107369617 407373594 /nfs/dbraw/zinc/37/35/94/407373594.db2.gz GBJDGWMGNUZCCS-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000107369617 407373595 /nfs/dbraw/zinc/37/35/95/407373595.db2.gz GBJDGWMGNUZCCS-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000109794016 407397838 /nfs/dbraw/zinc/39/78/38/407397838.db2.gz NFLZGJYHQQCLBV-INIZCTEOSA-N 2 2 301.394 1.328 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N(C)C[C@H]1CCOC1 ZINC000261619077 407553212 /nfs/dbraw/zinc/55/32/12/407553212.db2.gz HKGFWLPAOTTXRV-CQSZACIVSA-N 2 2 315.421 1.421 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000266112474 407531459 /nfs/dbraw/zinc/53/14/59/407531459.db2.gz NALAYOHGDVSTJF-HNNXBMFYSA-N 2 2 309.454 1.276 20 30 DDEDLP Cc1nnc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)c1C ZINC000267199278 407787207 /nfs/dbraw/zinc/78/72/07/407787207.db2.gz ODAXWMPWGFHCQP-UHFFFAOYSA-N 2 2 302.426 1.403 20 30 DDEDLP C=C(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000187792371 407894068 /nfs/dbraw/zinc/89/40/68/407894068.db2.gz YDIRNXBXJYKALA-KRWDZBQOSA-N 2 2 323.387 1.946 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000173783812 407898958 /nfs/dbraw/zinc/89/89/58/407898958.db2.gz HELINMVRHCSRSK-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000173783812 407898963 /nfs/dbraw/zinc/89/89/63/407898963.db2.gz HELINMVRHCSRSK-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000264612525 408539036 /nfs/dbraw/zinc/53/90/36/408539036.db2.gz KEYLXYPVNZNLSZ-UHFFFAOYSA-N 2 2 323.400 1.708 20 30 DDEDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C#N ZINC000354039543 409610965 /nfs/dbraw/zinc/61/09/65/409610965.db2.gz NGFBMGQUHOCDID-UHFFFAOYSA-N 2 2 302.426 1.210 20 30 DDEDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C#N ZINC000354039543 409610972 /nfs/dbraw/zinc/61/09/72/409610972.db2.gz NGFBMGQUHOCDID-UHFFFAOYSA-N 2 2 302.426 1.210 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328774809 409977097 /nfs/dbraw/zinc/97/70/97/409977097.db2.gz BYAOETRCOLHOQT-ILXRZTDVSA-N 2 2 319.453 1.852 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328774809 409977104 /nfs/dbraw/zinc/97/71/04/409977104.db2.gz BYAOETRCOLHOQT-ILXRZTDVSA-N 2 2 319.453 1.852 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329200854 410163043 /nfs/dbraw/zinc/16/30/43/410163043.db2.gz BPNSZUPLUYMSJN-ILXRZTDVSA-N 2 2 317.437 1.671 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329600057 410378571 /nfs/dbraw/zinc/37/85/71/410378571.db2.gz JZPVIEDVQAVWFF-AAEUAGOBSA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329600057 410378581 /nfs/dbraw/zinc/37/85/81/410378581.db2.gz JZPVIEDVQAVWFF-AAEUAGOBSA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CC[N@H+](C)CC1 ZINC000329600057 410378591 /nfs/dbraw/zinc/37/85/91/410378591.db2.gz JZPVIEDVQAVWFF-AAEUAGOBSA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329600057 410378599 /nfs/dbraw/zinc/37/85/99/410378599.db2.gz JZPVIEDVQAVWFF-AAEUAGOBSA-N 2 2 303.410 1.421 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000359123073 410560678 /nfs/dbraw/zinc/56/06/78/410560678.db2.gz ITNLHINXMBGXNO-HNNXBMFYSA-N 2 2 318.469 2.357 20 30 DDEDLP C[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245536356 222216776 /nfs/dbraw/zinc/21/67/76/222216776.db2.gz LDDUIFIJBKBJSS-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245536356 222216780 /nfs/dbraw/zinc/21/67/80/222216780.db2.gz LDDUIFIJBKBJSS-HUUCEWRRSA-N 2 2 303.410 1.528 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250279586 222242980 /nfs/dbraw/zinc/24/29/80/222242980.db2.gz CDACIIZMSSJJKX-SJORKVTESA-N 2 2 305.466 1.568 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250279586 222242983 /nfs/dbraw/zinc/24/29/83/222242983.db2.gz CDACIIZMSSJJKX-SJORKVTESA-N 2 2 305.466 1.568 20 30 DDEDLP CCCNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264131808 222323262 /nfs/dbraw/zinc/32/32/62/222323262.db2.gz YCJPOQIAAZGJLF-UHFFFAOYSA-N 2 2 320.437 1.212 20 30 DDEDLP C[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000264094675 222316993 /nfs/dbraw/zinc/31/69/93/222316993.db2.gz MBEHXUDNOWRVPS-AWEZNQCLSA-N 2 2 301.438 1.264 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000376022763 418691286 /nfs/dbraw/zinc/69/12/86/418691286.db2.gz UVQAUYMZKNFVKS-UHFFFAOYSA-N 2 2 312.421 1.617 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370721961 418747296 /nfs/dbraw/zinc/74/72/96/418747296.db2.gz BAWLFCQEWIIBAO-AWEZNQCLSA-N 2 2 303.410 1.362 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370721961 418747298 /nfs/dbraw/zinc/74/72/98/418747298.db2.gz BAWLFCQEWIIBAO-AWEZNQCLSA-N 2 2 303.410 1.362 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000362384482 418754296 /nfs/dbraw/zinc/75/42/96/418754296.db2.gz GFBJZKQJAJFVIF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000362384482 418754297 /nfs/dbraw/zinc/75/42/97/418754297.db2.gz GFBJZKQJAJFVIF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000363256483 418763703 /nfs/dbraw/zinc/76/37/03/418763703.db2.gz KYWMUZNRLPJTSA-FXUDXRNXSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000363256483 418763705 /nfs/dbraw/zinc/76/37/05/418763705.db2.gz KYWMUZNRLPJTSA-FXUDXRNXSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363256483 418763707 /nfs/dbraw/zinc/76/37/07/418763707.db2.gz KYWMUZNRLPJTSA-FXUDXRNXSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363256483 418763709 /nfs/dbraw/zinc/76/37/09/418763709.db2.gz KYWMUZNRLPJTSA-FXUDXRNXSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256484 418763860 /nfs/dbraw/zinc/76/38/60/418763860.db2.gz KYWMUZNRLPJTSA-QKPAOTATSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256484 418763861 /nfs/dbraw/zinc/76/38/61/418763861.db2.gz KYWMUZNRLPJTSA-QKPAOTATSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256484 418763863 /nfs/dbraw/zinc/76/38/63/418763863.db2.gz KYWMUZNRLPJTSA-QKPAOTATSA-N 2 2 304.438 1.163 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256484 418763865 /nfs/dbraw/zinc/76/38/65/418763865.db2.gz KYWMUZNRLPJTSA-QKPAOTATSA-N 2 2 304.438 1.163 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1c(F)cccc1F ZINC000424144118 228235364 /nfs/dbraw/zinc/23/53/64/228235364.db2.gz KQJWRZANIDLYEC-KBPBESRZSA-N 2 2 324.375 1.705 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000424161683 228238845 /nfs/dbraw/zinc/23/88/45/228238845.db2.gz VXGAFSWCOTWNMV-MRXNPFEDSA-N 2 2 316.405 1.058 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000424170440 228240474 /nfs/dbraw/zinc/24/04/74/228240474.db2.gz AZFFFZVNWVKDRY-MRXNPFEDSA-N 2 2 318.396 1.491 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)ccc1C#N ZINC000440802939 420608029 /nfs/dbraw/zinc/60/80/29/420608029.db2.gz BFIIUSFYPZDLCT-QGZVFWFLSA-N 2 2 317.433 1.749 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455321242 420995807 /nfs/dbraw/zinc/99/58/07/420995807.db2.gz IMGIDKJLJYKDQE-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C(C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455321242 420995809 /nfs/dbraw/zinc/99/58/09/420995809.db2.gz IMGIDKJLJYKDQE-SJPCQFCGSA-N 2 2 320.481 1.905 20 30 DDEDLP Cc1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488103719 421070297 /nfs/dbraw/zinc/07/02/97/421070297.db2.gz ZAASKWFKGVJRIC-CQSZACIVSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000488103719 421070300 /nfs/dbraw/zinc/07/03/00/421070300.db2.gz ZAASKWFKGVJRIC-CQSZACIVSA-N 2 2 313.449 1.866 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562991574 421436681 /nfs/dbraw/zinc/43/66/81/421436681.db2.gz PYJXXGUPBLBBKE-QBIMZIAESA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562991574 421436684 /nfs/dbraw/zinc/43/66/84/421436684.db2.gz PYJXXGUPBLBBKE-QBIMZIAESA-N 2 2 315.417 1.370 20 30 DDEDLP C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631111187 422533381 /nfs/dbraw/zinc/53/33/81/422533381.db2.gz NDUNPSWYKHWJIY-KRWDZBQOSA-N 2 2 320.433 1.424 20 30 DDEDLP Cc1cc(C#N)cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000376446728 267303793 /nfs/dbraw/zinc/30/37/93/267303793.db2.gz CWGMEFSNTYGORN-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(C#N)cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000376446728 267303796 /nfs/dbraw/zinc/30/37/96/267303796.db2.gz CWGMEFSNTYGORN-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C ZINC000516663861 268082484 /nfs/dbraw/zinc/08/24/84/268082484.db2.gz DCNGRSLTZLALFL-QGZVFWFLSA-N 2 2 323.400 1.885 20 30 DDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000353425927 268223174 /nfs/dbraw/zinc/22/31/74/268223174.db2.gz KNVYVZWSDLXIMP-SJORKVTESA-N 2 2 312.417 1.475 20 30 DDEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000353425927 268223177 /nfs/dbraw/zinc/22/31/77/268223177.db2.gz KNVYVZWSDLXIMP-SJORKVTESA-N 2 2 312.417 1.475 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cn2)CC1 ZINC000564236713 340949068 /nfs/dbraw/zinc/94/90/68/340949068.db2.gz NLGFOSQNIHSATQ-OAHLLOKOSA-N 2 2 312.421 1.367 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348273036 526609274 /nfs/dbraw/zinc/60/92/74/526609274.db2.gz DYRLIIHTXOHSTP-ZFWWWQNUSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348273036 526609275 /nfs/dbraw/zinc/60/92/75/526609275.db2.gz DYRLIIHTXOHSTP-ZFWWWQNUSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348273036 526609281 /nfs/dbraw/zinc/60/92/81/526609281.db2.gz DYRLIIHTXOHSTP-ZFWWWQNUSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348273036 526609286 /nfs/dbraw/zinc/60/92/86/526609286.db2.gz DYRLIIHTXOHSTP-ZFWWWQNUSA-N 2 2 322.453 1.050 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000491147466 526948982 /nfs/dbraw/zinc/94/89/82/526948982.db2.gz RUDVLWGGZBGHMF-UHFFFAOYSA-N 2 2 313.392 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000491147466 526948989 /nfs/dbraw/zinc/94/89/89/526948989.db2.gz RUDVLWGGZBGHMF-UHFFFAOYSA-N 2 2 313.392 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491039088 526949972 /nfs/dbraw/zinc/94/99/72/526949972.db2.gz MUOMJDQUWKYJKX-OLZOCXBDSA-N 2 2 317.355 1.037 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491039088 526949980 /nfs/dbraw/zinc/94/99/80/526949980.db2.gz MUOMJDQUWKYJKX-OLZOCXBDSA-N 2 2 317.355 1.037 20 30 DDEDLP C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000491774953 527383651 /nfs/dbraw/zinc/38/36/51/527383651.db2.gz USRPEMCVAAWEEL-INIZCTEOSA-N 2 2 308.470 1.312 20 30 DDEDLP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000491774953 527383656 /nfs/dbraw/zinc/38/36/56/527383656.db2.gz USRPEMCVAAWEEL-INIZCTEOSA-N 2 2 308.470 1.312 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208884 696708412 /nfs/dbraw/zinc/70/84/12/696708412.db2.gz QFJIKXOKKCISHL-HRCADAONSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208884 696708415 /nfs/dbraw/zinc/70/84/15/696708415.db2.gz QFJIKXOKKCISHL-HRCADAONSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980226786 696712966 /nfs/dbraw/zinc/71/29/66/696712966.db2.gz IMTSRJSRGBOISP-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980226786 696712968 /nfs/dbraw/zinc/71/29/68/696712968.db2.gz IMTSRJSRGBOISP-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011395 695138903 /nfs/dbraw/zinc/13/89/03/695138903.db2.gz IHNUTPNNCQVQFS-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011395 695138904 /nfs/dbraw/zinc/13/89/04/695138904.db2.gz IHNUTPNNCQVQFS-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011395 695138906 /nfs/dbraw/zinc/13/89/06/695138906.db2.gz IHNUTPNNCQVQFS-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011395 695138907 /nfs/dbraw/zinc/13/89/07/695138907.db2.gz IHNUTPNNCQVQFS-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836246 696937578 /nfs/dbraw/zinc/93/75/78/696937578.db2.gz FLELCRCDHQYWEX-UHFFFAOYSA-N 2 2 303.406 1.512 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981836246 696937579 /nfs/dbraw/zinc/93/75/79/696937579.db2.gz FLELCRCDHQYWEX-UHFFFAOYSA-N 2 2 303.406 1.512 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103265 697005268 /nfs/dbraw/zinc/00/52/68/697005268.db2.gz UFQZHNMBKJOFDI-LSDHHAIUSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197868 697031898 /nfs/dbraw/zinc/03/18/98/697031898.db2.gz PZXXDEREDPYWJR-OAHLLOKOSA-N 2 2 302.422 1.564 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197868 697031900 /nfs/dbraw/zinc/03/19/00/697031900.db2.gz PZXXDEREDPYWJR-OAHLLOKOSA-N 2 2 302.422 1.564 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303887057 698608956 /nfs/dbraw/zinc/60/89/56/698608956.db2.gz KTCDQCVYLKOZLJ-INIZCTEOSA-N 2 2 317.481 1.757 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989457177 698629996 /nfs/dbraw/zinc/62/99/96/698629996.db2.gz LQAHELPFBLPXKX-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989457177 698629997 /nfs/dbraw/zinc/62/99/97/698629997.db2.gz LQAHELPFBLPXKX-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457177 698629998 /nfs/dbraw/zinc/62/99/98/698629998.db2.gz LQAHELPFBLPXKX-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457177 698629999 /nfs/dbraw/zinc/62/99/99/698629999.db2.gz LQAHELPFBLPXKX-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989636281 698702956 /nfs/dbraw/zinc/70/29/56/698702956.db2.gz VOKPKQPCBAGACS-HOCLYGCPSA-N 2 2 308.385 1.698 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000867999208 701882779 /nfs/dbraw/zinc/88/27/79/701882779.db2.gz VCJNLDJWTFQQKY-HOTGVXAUSA-N 2 2 300.406 1.701 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000867999208 701882786 /nfs/dbraw/zinc/88/27/86/701882786.db2.gz VCJNLDJWTFQQKY-HOTGVXAUSA-N 2 2 300.406 1.701 20 30 DDEDLP C=CC[C@@H](C(=O)OC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000878721933 706480973 /nfs/dbraw/zinc/48/09/73/706480973.db2.gz MKXDRJSCCOFPAX-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[C@@H](C(=O)OC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000878721933 706480975 /nfs/dbraw/zinc/48/09/75/706480975.db2.gz MKXDRJSCCOFPAX-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142585 706890426 /nfs/dbraw/zinc/89/04/26/706890426.db2.gz QPFHGPGMFXWZGV-OWCLPIDISA-N 2 2 307.438 1.226 20 30 DDEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142585 706890428 /nfs/dbraw/zinc/89/04/28/706890428.db2.gz QPFHGPGMFXWZGV-OWCLPIDISA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142585 706890430 /nfs/dbraw/zinc/89/04/30/706890430.db2.gz QPFHGPGMFXWZGV-OWCLPIDISA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142585 706890434 /nfs/dbraw/zinc/89/04/34/706890434.db2.gz QPFHGPGMFXWZGV-OWCLPIDISA-N 2 2 307.438 1.226 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921701975 713848353 /nfs/dbraw/zinc/84/83/53/713848353.db2.gz FSMSHCUQZPSUTE-UHFFFAOYSA-N 2 2 304.438 1.623 20 30 DDEDLP N#Cc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000921746550 713860500 /nfs/dbraw/zinc/86/05/00/713860500.db2.gz DPRSMBUQUKHZQX-HNNXBMFYSA-N 2 2 320.462 1.116 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000939317882 716191422 /nfs/dbraw/zinc/19/14/22/716191422.db2.gz ZCVSHAYWIBGEJL-HOCLYGCPSA-N 2 2 312.417 1.808 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279022 716893557 /nfs/dbraw/zinc/89/35/57/716893557.db2.gz ZVMRCGRHWKOEHU-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279022 716893559 /nfs/dbraw/zinc/89/35/59/716893559.db2.gz ZVMRCGRHWKOEHU-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751738 720922006 /nfs/dbraw/zinc/92/20/06/720922006.db2.gz JFXDZMLXPPNPGN-CYBMUJFWSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000951758174 721168813 /nfs/dbraw/zinc/16/88/13/721168813.db2.gz RNUPCMKSUQPZRR-HNNXBMFYSA-N 2 2 316.449 1.863 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520432 735890128 /nfs/dbraw/zinc/89/01/28/735890128.db2.gz JVNBLIUGPAJWKS-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520432 735890132 /nfs/dbraw/zinc/89/01/32/735890132.db2.gz JVNBLIUGPAJWKS-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515168 735891173 /nfs/dbraw/zinc/89/11/73/735891173.db2.gz MXZWDGTWGKHZHP-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515168 735891177 /nfs/dbraw/zinc/89/11/77/735891177.db2.gz MXZWDGTWGKHZHP-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515296 735891824 /nfs/dbraw/zinc/89/18/24/735891824.db2.gz QMRCOJQIIYYXDF-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515296 735891829 /nfs/dbraw/zinc/89/18/29/735891829.db2.gz QMRCOJQIIYYXDF-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001024618010 735985664 /nfs/dbraw/zinc/98/56/64/735985664.db2.gz OTYKHSVHRFEBNX-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087320730 736092980 /nfs/dbraw/zinc/09/29/80/736092980.db2.gz JPIZFWYYKULTND-DJIMGWMZSA-N 2 2 314.433 1.512 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087320730 736092985 /nfs/dbraw/zinc/09/29/85/736092985.db2.gz JPIZFWYYKULTND-DJIMGWMZSA-N 2 2 314.433 1.512 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738117 736694868 /nfs/dbraw/zinc/69/48/68/736694868.db2.gz GRYKFWIWDBSWND-IXDOHACOSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101698 737531244 /nfs/dbraw/zinc/53/12/44/737531244.db2.gz YDZMZRGWVIBXFE-TZMCWYRMSA-N 2 2 310.829 1.710 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488129 737678152 /nfs/dbraw/zinc/67/81/52/737678152.db2.gz NKISQYDQGXOABY-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008488129 737678155 /nfs/dbraw/zinc/67/81/55/737678155.db2.gz NKISQYDQGXOABY-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001027470106 738326844 /nfs/dbraw/zinc/32/68/44/738326844.db2.gz JKCDHQVDQVCCEM-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001027470106 738326846 /nfs/dbraw/zinc/32/68/46/738326846.db2.gz JKCDHQVDQVCCEM-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)c(F)c1 ZINC001126436499 740111003 /nfs/dbraw/zinc/11/10/03/740111003.db2.gz CWLFEZDDIOZPPE-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582352 741898354 /nfs/dbraw/zinc/89/83/54/741898354.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001088582352 741898358 /nfs/dbraw/zinc/89/83/58/741898358.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001088582352 741898362 /nfs/dbraw/zinc/89/83/62/741898362.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001088582352 741898366 /nfs/dbraw/zinc/89/83/66/741898366.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 2 317.437 1.555 20 30 DDEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001098649941 742083804 /nfs/dbraw/zinc/08/38/04/742083804.db2.gz FVKBFIXCFRVDEG-CQSZACIVSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566384 742122884 /nfs/dbraw/zinc/12/28/84/742122884.db2.gz JXXVVNOAFWGBLG-MRXNPFEDSA-N 2 2 314.433 1.726 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001076144975 742564752 /nfs/dbraw/zinc/56/47/52/742564752.db2.gz NIDZXMYLCJCSMY-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001076144975 742564757 /nfs/dbraw/zinc/56/47/57/742564757.db2.gz NIDZXMYLCJCSMY-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001076144975 742564761 /nfs/dbraw/zinc/56/47/61/742564761.db2.gz NIDZXMYLCJCSMY-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001076144975 742564765 /nfs/dbraw/zinc/56/47/65/742564765.db2.gz NIDZXMYLCJCSMY-SOUVJXGZSA-N 2 2 311.857 1.756 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304530 742648856 /nfs/dbraw/zinc/64/88/56/742648856.db2.gz SBVGKCDLMLVKRP-HRCADAONSA-N 2 2 302.422 1.943 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304530 742648859 /nfs/dbraw/zinc/64/88/59/742648859.db2.gz SBVGKCDLMLVKRP-HRCADAONSA-N 2 2 302.422 1.943 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035668853 751774156 /nfs/dbraw/zinc/77/41/56/751774156.db2.gz LXTMGXGYDODWRB-CQSZACIVSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035668853 751774161 /nfs/dbraw/zinc/77/41/61/751774161.db2.gz LXTMGXGYDODWRB-CQSZACIVSA-N 2 2 311.857 1.758 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035779473 751866739 /nfs/dbraw/zinc/86/67/39/751866739.db2.gz XOWNCYLAUQZIBX-UHFFFAOYSA-N 2 2 315.417 1.512 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183764741 743900178 /nfs/dbraw/zinc/90/01/78/743900178.db2.gz GDISIQXRSYYMLE-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991214 744541613 /nfs/dbraw/zinc/54/16/13/744541613.db2.gz PWEGOKHLVBOPSO-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991214 744541615 /nfs/dbraw/zinc/54/16/15/744541615.db2.gz PWEGOKHLVBOPSO-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035862992 751959170 /nfs/dbraw/zinc/95/91/70/751959170.db2.gz SJEUNMTZQNJYBO-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009743 745402928 /nfs/dbraw/zinc/40/29/28/745402928.db2.gz IGMBODJRVZRFJW-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009743 745402931 /nfs/dbraw/zinc/40/29/31/745402931.db2.gz IGMBODJRVZRFJW-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106292073 745556857 /nfs/dbraw/zinc/55/68/57/745556857.db2.gz XWKRISVMYHMOOY-BRWVUGGUSA-N 2 2 316.449 1.788 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318955 745599141 /nfs/dbraw/zinc/59/91/41/745599141.db2.gz PYZMIOCTJQTKHJ-UKRRQHHQSA-N 2 2 310.401 1.884 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340453 745613246 /nfs/dbraw/zinc/61/32/46/745613246.db2.gz YLNPRBWBAMNRDW-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292902 745746054 /nfs/dbraw/zinc/74/60/54/745746054.db2.gz DBIOLXPQNCBMHL-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292902 745746057 /nfs/dbraw/zinc/74/60/57/745746057.db2.gz DBIOLXPQNCBMHL-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993349390 746017694 /nfs/dbraw/zinc/01/76/94/746017694.db2.gz KVULFETUDBWNMG-GOEBONIOSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993349390 746017699 /nfs/dbraw/zinc/01/76/99/746017699.db2.gz KVULFETUDBWNMG-GOEBONIOSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193618924 746150774 /nfs/dbraw/zinc/15/07/74/746150774.db2.gz CRDYTFWBRHEJBN-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193618924 746150779 /nfs/dbraw/zinc/15/07/79/746150779.db2.gz CRDYTFWBRHEJBN-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193618924 746150780 /nfs/dbraw/zinc/15/07/80/746150780.db2.gz CRDYTFWBRHEJBN-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193618924 746150783 /nfs/dbraw/zinc/15/07/83/746150783.db2.gz CRDYTFWBRHEJBN-HZPDHXFCSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847687 748057470 /nfs/dbraw/zinc/05/74/70/748057470.db2.gz SPBHGVQDANQOMM-NXOAAHMSSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089847687 748057481 /nfs/dbraw/zinc/05/74/81/748057481.db2.gz SPBHGVQDANQOMM-NXOAAHMSSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201391256 748505849 /nfs/dbraw/zinc/50/58/49/748505849.db2.gz ZGIQYLNZKZMYPD-UONOGXRCSA-N 2 2 318.421 1.223 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201493625 748525278 /nfs/dbraw/zinc/52/52/78/748525278.db2.gz IOBHXCFNRRDDDW-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578237 748559875 /nfs/dbraw/zinc/55/98/75/748559875.db2.gz ISBANSMFAUKFFQ-INIZCTEOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004578237 748559880 /nfs/dbraw/zinc/55/98/80/748559880.db2.gz ISBANSMFAUKFFQ-INIZCTEOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153509 748648036 /nfs/dbraw/zinc/64/80/36/748648036.db2.gz VURGWMFXPKFKEG-CABCVRRESA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153509 748648041 /nfs/dbraw/zinc/64/80/41/748648041.db2.gz VURGWMFXPKFKEG-CABCVRRESA-N 2 2 300.406 1.317 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201953582 748653021 /nfs/dbraw/zinc/65/30/21/748653021.db2.gz ZMEIDSZDYODYFH-OAHLLOKOSA-N 2 2 320.437 1.434 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001108317403 761889901 /nfs/dbraw/zinc/88/99/01/761889901.db2.gz IRLKQFWPFOVTGG-GOSISDBHSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001108317403 761889909 /nfs/dbraw/zinc/88/99/09/761889909.db2.gz IRLKQFWPFOVTGG-GOSISDBHSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874750 750008556 /nfs/dbraw/zinc/00/85/56/750008556.db2.gz HQNILYOFKSYZEP-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874750 750008563 /nfs/dbraw/zinc/00/85/63/750008563.db2.gz HQNILYOFKSYZEP-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033880515 750044962 /nfs/dbraw/zinc/04/49/62/750044962.db2.gz XCXLMSOHXMNOET-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033880515 750044969 /nfs/dbraw/zinc/04/49/69/750044969.db2.gz XCXLMSOHXMNOET-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000996844680 750195758 /nfs/dbraw/zinc/19/57/58/750195758.db2.gz BBRWIFVPSCAOHG-UHFFFAOYSA-N 2 2 308.385 1.700 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039469342 762059414 /nfs/dbraw/zinc/05/94/14/762059414.db2.gz BEQLVUCJXQEZKK-ZNMIVQPWSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039469342 762059424 /nfs/dbraw/zinc/05/94/24/762059424.db2.gz BEQLVUCJXQEZKK-ZNMIVQPWSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039469342 762059434 /nfs/dbraw/zinc/05/94/34/762059434.db2.gz BEQLVUCJXQEZKK-ZNMIVQPWSA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039469342 762059439 /nfs/dbraw/zinc/05/94/39/762059439.db2.gz BEQLVUCJXQEZKK-ZNMIVQPWSA-N 2 2 311.857 1.756 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007895632 752422199 /nfs/dbraw/zinc/42/21/99/752422199.db2.gz LOOYRFKXEUHNMB-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007895632 752422202 /nfs/dbraw/zinc/42/22/02/752422202.db2.gz LOOYRFKXEUHNMB-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999539933 752983390 /nfs/dbraw/zinc/98/33/90/752983390.db2.gz DICSBGVRPSLUJQ-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543623 753592429 /nfs/dbraw/zinc/59/24/29/753592429.db2.gz LLQHTLQFNIYWTE-MPGHIAIKSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543623 753592433 /nfs/dbraw/zinc/59/24/33/753592433.db2.gz LLQHTLQFNIYWTE-MPGHIAIKSA-N 2 2 314.433 1.440 20 30 DDEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001169142607 762258355 /nfs/dbraw/zinc/25/83/55/762258355.db2.gz DLALOVBYHXUZGS-FVQHAEBGSA-N 2 2 311.433 1.700 20 30 DDEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cc(C#N)ccn3)CC1)C2 ZINC001169142607 762258358 /nfs/dbraw/zinc/25/83/58/762258358.db2.gz DLALOVBYHXUZGS-FVQHAEBGSA-N 2 2 311.433 1.700 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078777039 754376267 /nfs/dbraw/zinc/37/62/67/754376267.db2.gz RDQDARFYKAQMHD-GJZGRUSLSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014774337 755933583 /nfs/dbraw/zinc/93/35/83/755933583.db2.gz CKRFYRIZIOBFIT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014774337 755933588 /nfs/dbraw/zinc/93/35/88/755933588.db2.gz CKRFYRIZIOBFIT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014774337 755933591 /nfs/dbraw/zinc/93/35/91/755933591.db2.gz CKRFYRIZIOBFIT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014774337 755933594 /nfs/dbraw/zinc/93/35/94/755933594.db2.gz CKRFYRIZIOBFIT-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001016726960 757300562 /nfs/dbraw/zinc/30/05/62/757300562.db2.gz OXPMGKGSAMLKQA-INIZCTEOSA-N 2 2 322.412 1.942 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097820788 757586755 /nfs/dbraw/zinc/58/67/55/757586755.db2.gz BLGDCGKOKYGHLK-CLWVCHIJSA-N 2 2 312.417 1.574 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097820788 757586764 /nfs/dbraw/zinc/58/67/64/757586764.db2.gz BLGDCGKOKYGHLK-CLWVCHIJSA-N 2 2 312.417 1.574 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653739 757741078 /nfs/dbraw/zinc/74/10/78/757741078.db2.gz UHEFBBCZBIWYAZ-UMVBOHGHSA-N 2 2 300.406 1.548 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653739 757741084 /nfs/dbraw/zinc/74/10/84/757741084.db2.gz UHEFBBCZBIWYAZ-UMVBOHGHSA-N 2 2 300.406 1.548 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001084671206 757757867 /nfs/dbraw/zinc/75/78/67/757757867.db2.gz FLCXXERVKMWRGZ-KCYZZUKISA-N 2 2 312.417 1.080 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001084671206 757757876 /nfs/dbraw/zinc/75/78/76/757757876.db2.gz FLCXXERVKMWRGZ-KCYZZUKISA-N 2 2 312.417 1.080 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084712552 757807041 /nfs/dbraw/zinc/80/70/41/757807041.db2.gz MQRNGYXFGASETA-IIAWOOMASA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084712552 757807056 /nfs/dbraw/zinc/80/70/56/757807056.db2.gz MQRNGYXFGASETA-IIAWOOMASA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084712552 757807065 /nfs/dbraw/zinc/80/70/65/757807065.db2.gz MQRNGYXFGASETA-IIAWOOMASA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084712552 757807072 /nfs/dbraw/zinc/80/70/72/757807072.db2.gz MQRNGYXFGASETA-IIAWOOMASA-N 2 2 300.406 1.144 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098911681 757813022 /nfs/dbraw/zinc/81/30/22/757813022.db2.gz XWAVPQYECFGGAG-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098911681 757813037 /nfs/dbraw/zinc/81/30/37/757813037.db2.gz XWAVPQYECFGGAG-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP CN(C)/C=[NH+]/c1ccc(NC[C@H]2COCC[N@@H+]2C)cc1C#N ZINC001169655580 762577853 /nfs/dbraw/zinc/57/78/53/762577853.db2.gz IBDRRJDGIKBWTL-UZUMKDMXSA-N 2 2 301.394 1.522 20 30 DDEDLP CN(C)/C=[NH+]/c1ccc(NC[C@H]2COCC[N@H+]2C)cc1C#N ZINC001169655580 762577859 /nfs/dbraw/zinc/57/78/59/762577859.db2.gz IBDRRJDGIKBWTL-UZUMKDMXSA-N 2 2 301.394 1.522 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CCC[NH+]1CCC3)O2 ZINC001053624572 758643529 /nfs/dbraw/zinc/64/35/29/758643529.db2.gz WBXZQMYJRBARDQ-OAHLLOKOSA-N 2 2 319.449 1.150 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018277995 758691164 /nfs/dbraw/zinc/69/11/64/758691164.db2.gz WPRXWTVLHAEKID-YESZJQIVSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018277995 758691174 /nfs/dbraw/zinc/69/11/74/758691174.db2.gz WPRXWTVLHAEKID-YESZJQIVSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053891218 758924452 /nfs/dbraw/zinc/92/44/52/758924452.db2.gz QGCWYOYPMNJQSI-HNNXBMFYSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001019069982 759560880 /nfs/dbraw/zinc/56/08/80/759560880.db2.gz SPACQRCXMMMPLU-NSHDSACASA-N 2 2 312.801 1.293 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086406126 761556125 /nfs/dbraw/zinc/55/61/25/761556125.db2.gz BQDSGQZHWIROLL-RBSFLKMASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[N@H+]1CC=C(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001335642 762770395 /nfs/dbraw/zinc/77/03/95/762770395.db2.gz MTBLYHRSONFWLH-UHFFFAOYSA-N 2 2 321.384 1.262 20 30 DDEDLP C#CC[N@@H+]1CC=C(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001335642 762770399 /nfs/dbraw/zinc/77/03/99/762770399.db2.gz MTBLYHRSONFWLH-UHFFFAOYSA-N 2 2 321.384 1.262 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108798932 762944379 /nfs/dbraw/zinc/94/43/79/762944379.db2.gz IMKLZIIWVVYRRW-ZNMIVQPWSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041342665 762967267 /nfs/dbraw/zinc/96/72/67/762967267.db2.gz FRPCMTVFYNNXJE-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041342665 762967274 /nfs/dbraw/zinc/96/72/74/762967274.db2.gz FRPCMTVFYNNXJE-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041342665 762967279 /nfs/dbraw/zinc/96/72/79/762967279.db2.gz FRPCMTVFYNNXJE-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041342665 762967285 /nfs/dbraw/zinc/96/72/85/762967285.db2.gz FRPCMTVFYNNXJE-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419586 763017343 /nfs/dbraw/zinc/01/73/43/763017343.db2.gz VQTDEQVINWDPLQ-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419586 763017351 /nfs/dbraw/zinc/01/73/51/763017351.db2.gz VQTDEQVINWDPLQ-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081037 763107133 /nfs/dbraw/zinc/10/71/33/763107133.db2.gz OVDGKHBXTMWRFE-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081037 763107140 /nfs/dbraw/zinc/10/71/40/763107140.db2.gz OVDGKHBXTMWRFE-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001050081835 763107887 /nfs/dbraw/zinc/10/78/87/763107887.db2.gz ULACPCCWPWJMGI-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001050081835 763107892 /nfs/dbraw/zinc/10/78/92/763107892.db2.gz ULACPCCWPWJMGI-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001050192372 763297514 /nfs/dbraw/zinc/29/75/14/763297514.db2.gz HNDPWNJKUCVUSU-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001050192372 763297523 /nfs/dbraw/zinc/29/75/23/763297523.db2.gz HNDPWNJKUCVUSU-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089507 763638377 /nfs/dbraw/zinc/63/83/77/763638377.db2.gz DOFMPEJTZPJFLJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089507 763638379 /nfs/dbraw/zinc/63/83/79/763638379.db2.gz DOFMPEJTZPJFLJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089507 763638381 /nfs/dbraw/zinc/63/83/81/763638381.db2.gz DOFMPEJTZPJFLJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089507 763638384 /nfs/dbraw/zinc/63/83/84/763638384.db2.gz DOFMPEJTZPJFLJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001050975139 764372164 /nfs/dbraw/zinc/37/21/64/764372164.db2.gz HKEHRADOMSFLGV-MRXNPFEDSA-N 2 2 321.465 1.256 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001050975139 764372174 /nfs/dbraw/zinc/37/21/74/764372174.db2.gz HKEHRADOMSFLGV-MRXNPFEDSA-N 2 2 321.465 1.256 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001050984213 764382070 /nfs/dbraw/zinc/38/20/70/764382070.db2.gz ZJIWMDQZIWHWHW-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001050984213 764382075 /nfs/dbraw/zinc/38/20/75/764382075.db2.gz ZJIWMDQZIWHWHW-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050984213 764382083 /nfs/dbraw/zinc/38/20/83/764382083.db2.gz ZJIWMDQZIWHWHW-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050984213 764382091 /nfs/dbraw/zinc/38/20/91/764382091.db2.gz ZJIWMDQZIWHWHW-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113037826 765175856 /nfs/dbraw/zinc/17/58/56/765175856.db2.gz TUXFRQFILVGILF-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C[NH+](C)CCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113268176 765494596 /nfs/dbraw/zinc/49/45/96/765494596.db2.gz QLFKEXRNYFSJCB-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001044685236 765752435 /nfs/dbraw/zinc/75/24/35/765752435.db2.gz MPLQXHYZIGQCQP-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553294 766397046 /nfs/dbraw/zinc/39/70/46/766397046.db2.gz MSKHZXSVXLVNKD-AWEZNQCLSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001045618899 766451535 /nfs/dbraw/zinc/45/15/35/766451535.db2.gz UJKNKGYYFOKTHN-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045797445 766593282 /nfs/dbraw/zinc/59/32/82/766593282.db2.gz IGCSYJOUXXTFCC-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045797445 766593288 /nfs/dbraw/zinc/59/32/88/766593288.db2.gz IGCSYJOUXXTFCC-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045797445 766593293 /nfs/dbraw/zinc/59/32/93/766593293.db2.gz IGCSYJOUXXTFCC-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045797445 766593297 /nfs/dbraw/zinc/59/32/97/766593297.db2.gz IGCSYJOUXXTFCC-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001130480740 767557261 /nfs/dbraw/zinc/55/72/61/767557261.db2.gz BIVOPRMBRHIZOZ-INIZCTEOSA-N 2 2 323.400 1.223 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434789 767562133 /nfs/dbraw/zinc/56/21/33/767562133.db2.gz RMTXHCGKSWGFBI-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434789 767562137 /nfs/dbraw/zinc/56/21/37/767562137.db2.gz RMTXHCGKSWGFBI-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071233379 769176403 /nfs/dbraw/zinc/17/64/03/769176403.db2.gz IEGCDRMCADMOQZ-SUMWQHHRSA-N 2 2 318.421 1.138 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071233379 769176406 /nfs/dbraw/zinc/17/64/06/769176406.db2.gz IEGCDRMCADMOQZ-SUMWQHHRSA-N 2 2 318.421 1.138 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289415 769668373 /nfs/dbraw/zinc/66/83/73/769668373.db2.gz UUOBDHCWOGEEAT-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048887807 770053815 /nfs/dbraw/zinc/05/38/15/770053815.db2.gz FKHZGIKEMCNWOU-IYBDPMFKSA-N 2 2 315.417 1.599 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048887807 770053826 /nfs/dbraw/zinc/05/38/26/770053826.db2.gz FKHZGIKEMCNWOU-IYBDPMFKSA-N 2 2 315.417 1.599 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048895803 770071503 /nfs/dbraw/zinc/07/15/03/770071503.db2.gz VQZCRAXSHSVOSX-GASCZTMLSA-N 2 2 308.385 1.590 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048895803 770071515 /nfs/dbraw/zinc/07/15/15/770071515.db2.gz VQZCRAXSHSVOSX-GASCZTMLSA-N 2 2 308.385 1.590 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048900649 770082010 /nfs/dbraw/zinc/08/20/10/770082010.db2.gz KVGDCCIDNRXIRR-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048900649 770082022 /nfs/dbraw/zinc/08/20/22/770082022.db2.gz KVGDCCIDNRXIRR-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049086448 770347640 /nfs/dbraw/zinc/34/76/40/770347640.db2.gz BRQZNFJRBYVEPY-SOUVJXGZSA-N 2 2 322.840 1.977 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001049086448 770347651 /nfs/dbraw/zinc/34/76/51/770347651.db2.gz BRQZNFJRBYVEPY-SOUVJXGZSA-N 2 2 322.840 1.977 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]2C1 ZINC001049166438 770488871 /nfs/dbraw/zinc/48/88/71/770488871.db2.gz BKHZTGURUOPQJQ-GASCZTMLSA-N 2 2 323.400 1.457 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]2C1 ZINC001049166438 770488874 /nfs/dbraw/zinc/48/88/74/770488874.db2.gz BKHZTGURUOPQJQ-GASCZTMLSA-N 2 2 323.400 1.457 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC ZINC001049529639 770985780 /nfs/dbraw/zinc/98/57/80/770985780.db2.gz POWJVHMKJGRKQH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049529639 770985784 /nfs/dbraw/zinc/98/57/84/770985784.db2.gz POWJVHMKJGRKQH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC ZINC001049529639 770985789 /nfs/dbraw/zinc/98/57/89/770985789.db2.gz POWJVHMKJGRKQH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC ZINC001049529639 770985792 /nfs/dbraw/zinc/98/57/92/770985792.db2.gz POWJVHMKJGRKQH-IKGGRYGDSA-N 2 2 303.450 1.559 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545798 771043686 /nfs/dbraw/zinc/04/36/86/771043686.db2.gz RJDWJQRSVUEHGV-UONOGXRCSA-N 2 2 308.426 1.418 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545798 771043689 /nfs/dbraw/zinc/04/36/89/771043689.db2.gz RJDWJQRSVUEHGV-UONOGXRCSA-N 2 2 308.426 1.418 20 30 DDEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729856 771144105 /nfs/dbraw/zinc/14/41/05/771144105.db2.gz OUXZQJHEFYLVQO-KGLIPLIRSA-N 2 2 304.438 1.823 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866986 771219211 /nfs/dbraw/zinc/21/92/11/771219211.db2.gz LMPYPZFJJNCNDC-JKSUJKDBSA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866986 771219212 /nfs/dbraw/zinc/21/92/12/771219212.db2.gz LMPYPZFJJNCNDC-JKSUJKDBSA-N 2 2 302.422 1.902 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049875883 771226288 /nfs/dbraw/zinc/22/62/88/771226288.db2.gz MWXCIWAGSCAIOU-IAGOWNOFSA-N 2 2 314.433 1.441 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049875883 771226290 /nfs/dbraw/zinc/22/62/90/771226290.db2.gz MWXCIWAGSCAIOU-IAGOWNOFSA-N 2 2 314.433 1.441 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055997 771296161 /nfs/dbraw/zinc/29/61/61/771296161.db2.gz IWXVKXBXXSUTJI-LSDHHAIUSA-N 2 2 322.453 1.428 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001091163490 772567173 /nfs/dbraw/zinc/56/71/73/772567173.db2.gz BRXLKXLVXFEGPT-OFLPRAFFSA-N 2 2 321.465 1.158 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001091163490 772567174 /nfs/dbraw/zinc/56/71/74/772567174.db2.gz BRXLKXLVXFEGPT-OFLPRAFFSA-N 2 2 321.465 1.158 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073646963 773262187 /nfs/dbraw/zinc/26/21/87/773262187.db2.gz CACBLJICMKRDQR-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073646963 773262191 /nfs/dbraw/zinc/26/21/91/773262191.db2.gz CACBLJICMKRDQR-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073646963 773262195 /nfs/dbraw/zinc/26/21/95/773262195.db2.gz CACBLJICMKRDQR-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073646963 773262200 /nfs/dbraw/zinc/26/22/00/773262200.db2.gz CACBLJICMKRDQR-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092085726 773939902 /nfs/dbraw/zinc/93/99/02/773939902.db2.gz YKWMRFUIJRIATN-CPUCHLNUSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092085726 773939904 /nfs/dbraw/zinc/93/99/04/773939904.db2.gz YKWMRFUIJRIATN-CPUCHLNUSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092085726 773939906 /nfs/dbraw/zinc/93/99/06/773939906.db2.gz YKWMRFUIJRIATN-CPUCHLNUSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092085726 773939909 /nfs/dbraw/zinc/93/99/09/773939909.db2.gz YKWMRFUIJRIATN-CPUCHLNUSA-N 2 2 302.422 1.555 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748694 774249437 /nfs/dbraw/zinc/24/94/37/774249437.db2.gz IZGBZFINEUOMKK-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748694 774249439 /nfs/dbraw/zinc/24/94/39/774249439.db2.gz IZGBZFINEUOMKK-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748694 774249440 /nfs/dbraw/zinc/24/94/40/774249440.db2.gz IZGBZFINEUOMKK-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748694 774249443 /nfs/dbraw/zinc/24/94/43/774249443.db2.gz IZGBZFINEUOMKK-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777575 774591160 /nfs/dbraw/zinc/59/11/60/774591160.db2.gz FCZAFMXRDBSXMU-CABCVRRESA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777575 774591166 /nfs/dbraw/zinc/59/11/66/774591166.db2.gz FCZAFMXRDBSXMU-CABCVRRESA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001093546077 774821073 /nfs/dbraw/zinc/82/10/73/774821073.db2.gz FOTUQAPOMCUPPX-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001093546077 774821078 /nfs/dbraw/zinc/82/10/78/774821078.db2.gz FOTUQAPOMCUPPX-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881705 775945138 /nfs/dbraw/zinc/94/51/38/775945138.db2.gz ZXJCEMINUVVKMK-HOCLYGCPSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881705 775945146 /nfs/dbraw/zinc/94/51/46/775945146.db2.gz ZXJCEMINUVVKMK-HOCLYGCPSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595787 776360601 /nfs/dbraw/zinc/36/06/01/776360601.db2.gz GOOXBDONLIIOBV-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595376 776360875 /nfs/dbraw/zinc/36/08/75/776360875.db2.gz BNWKTIAPTLGIMU-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CCOC(=O)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127420 776629507 /nfs/dbraw/zinc/62/95/07/776629507.db2.gz IRPMLOZCINIXFK-ZSHCYNCHSA-N 2 2 307.438 1.942 20 30 DDEDLP C=CCOC(=O)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127420 776629510 /nfs/dbraw/zinc/62/95/10/776629510.db2.gz IRPMLOZCINIXFK-ZSHCYNCHSA-N 2 2 307.438 1.942 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454790 778150589 /nfs/dbraw/zinc/15/05/89/778150589.db2.gz RVGDINBYDILSMD-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454790 778150592 /nfs/dbraw/zinc/15/05/92/778150592.db2.gz RVGDINBYDILSMD-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454790 778150595 /nfs/dbraw/zinc/15/05/95/778150595.db2.gz RVGDINBYDILSMD-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454790 778150599 /nfs/dbraw/zinc/15/05/99/778150599.db2.gz RVGDINBYDILSMD-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178872717 779207028 /nfs/dbraw/zinc/20/70/28/779207028.db2.gz SBMQNXGLDVXCHX-MRXNPFEDSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCOCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065545 779610204 /nfs/dbraw/zinc/61/02/04/779610204.db2.gz RPJICHICWKLBGK-UHFFFAOYSA-N 2 2 322.453 1.431 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001267179209 837479995 /nfs/dbraw/zinc/47/99/95/837479995.db2.gz NKTHJWXYQZCLGA-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001267179209 837479999 /nfs/dbraw/zinc/47/99/99/837479999.db2.gz NKTHJWXYQZCLGA-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306738 837793499 /nfs/dbraw/zinc/79/34/99/837793499.db2.gz WWTIFEBWVTXXQX-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267306738 837793503 /nfs/dbraw/zinc/79/35/03/837793503.db2.gz WWTIFEBWVTXXQX-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001271898572 844191233 /nfs/dbraw/zinc/19/12/33/844191233.db2.gz PASGPEOYBKOULK-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001271898572 844191238 /nfs/dbraw/zinc/19/12/38/844191238.db2.gz PASGPEOYBKOULK-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543883 838278838 /nfs/dbraw/zinc/27/88/38/838278838.db2.gz GYJVPQMQKKWQCK-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267543883 838278843 /nfs/dbraw/zinc/27/88/43/838278843.db2.gz GYJVPQMQKKWQCK-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001272041282 844410522 /nfs/dbraw/zinc/41/05/22/844410522.db2.gz PIJXIMOMCDTALG-MRXNPFEDSA-N 2 2 304.438 1.884 20 30 DDEDLP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001272041282 844410534 /nfs/dbraw/zinc/41/05/34/844410534.db2.gz PIJXIMOMCDTALG-MRXNPFEDSA-N 2 2 304.438 1.884 20 30 DDEDLP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268108583 839697467 /nfs/dbraw/zinc/69/74/67/839697467.db2.gz TWCQBKPWWFXYER-LSDHHAIUSA-N 2 2 302.422 1.199 20 30 DDEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268108581 839698021 /nfs/dbraw/zinc/69/80/21/839698021.db2.gz TWCQBKPWWFXYER-GJZGRUSLSA-N 2 2 302.422 1.199 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268147701 839755388 /nfs/dbraw/zinc/75/53/88/839755388.db2.gz AKDXBCGFEYWGDA-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268147701 839755390 /nfs/dbraw/zinc/75/53/90/839755390.db2.gz AKDXBCGFEYWGDA-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001326305453 861269682 /nfs/dbraw/zinc/26/96/82/861269682.db2.gz UVLPLUOPGIPLBW-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001271200864 843409795 /nfs/dbraw/zinc/40/97/95/843409795.db2.gz LHIMTKHWMKVEQW-DOTOQJQBSA-N 2 2 320.437 1.353 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001271200864 843409798 /nfs/dbraw/zinc/40/97/98/843409798.db2.gz LHIMTKHWMKVEQW-DOTOQJQBSA-N 2 2 320.437 1.353 20 30 DDEDLP COc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(F)cc1C#N ZINC001155064325 861694660 /nfs/dbraw/zinc/69/46/60/861694660.db2.gz ODZXEKIUOVHJGH-UHFFFAOYSA-N 2 2 301.325 1.754 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001272770798 847400898 /nfs/dbraw/zinc/40/08/98/847400898.db2.gz ZFKZILPLURUBSQ-SHTZXODSSA-N 2 2 302.422 1.251 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]ccc1N ZINC001272809111 847463064 /nfs/dbraw/zinc/46/30/64/847463064.db2.gz XJZQKPIHSFILIL-KRWDZBQOSA-N 2 2 300.406 1.637 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]ccc1N ZINC001272809111 847463066 /nfs/dbraw/zinc/46/30/66/847463066.db2.gz XJZQKPIHSFILIL-KRWDZBQOSA-N 2 2 300.406 1.637 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521530 862186418 /nfs/dbraw/zinc/18/64/18/862186418.db2.gz JWXRWLULSJAVIS-HZPDHXFCSA-N 2 2 322.453 1.863 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521530 862186426 /nfs/dbraw/zinc/18/64/26/862186426.db2.gz JWXRWLULSJAVIS-HZPDHXFCSA-N 2 2 322.453 1.863 20 30 DDEDLP C#CCCC[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273541947 851076638 /nfs/dbraw/zinc/07/66/38/851076638.db2.gz MNQIBGOMZMZBKV-INIZCTEOSA-N 2 2 314.433 1.515 20 30 DDEDLP C#CCCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273542888 851081036 /nfs/dbraw/zinc/08/10/36/851081036.db2.gz QGBGARVSELCXLD-QGZVFWFLSA-N 2 2 300.406 1.258 20 30 DDEDLP C#CCCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273542888 851081041 /nfs/dbraw/zinc/08/10/41/851081041.db2.gz QGBGARVSELCXLD-QGZVFWFLSA-N 2 2 300.406 1.258 20 30 DDEDLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001275589332 853406338 /nfs/dbraw/zinc/40/63/38/853406338.db2.gz QZKZNWBXXBWLFT-UHFFFAOYSA-N 2 2 304.463 1.689 20 30 DDEDLP C=C(Br)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256903 863685488 /nfs/dbraw/zinc/68/54/88/863685488.db2.gz KQPCGESDBYADEB-UHFFFAOYSA-N 2 2 315.215 1.347 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560937 856977120 /nfs/dbraw/zinc/97/71/20/856977120.db2.gz CCKRUIHOJVRAEK-HOTGVXAUSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049560937 856977122 /nfs/dbraw/zinc/97/71/22/856977122.db2.gz CCKRUIHOJVRAEK-HOTGVXAUSA-N 2 2 318.421 1.601 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121896039 858621544 /nfs/dbraw/zinc/62/15/44/858621544.db2.gz LWVLDWKXJXCBGV-VPCQXRJPSA-N 2 2 302.422 1.791 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121896039 858621552 /nfs/dbraw/zinc/62/15/52/858621552.db2.gz LWVLDWKXJXCBGV-VPCQXRJPSA-N 2 2 302.422 1.791 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159468 864112689 /nfs/dbraw/zinc/11/26/89/864112689.db2.gz GSRMKDJQCAFZOK-AEFFLSMTSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159468 864112693 /nfs/dbraw/zinc/11/26/93/864112693.db2.gz GSRMKDJQCAFZOK-AEFFLSMTSA-N 2 2 323.481 1.596 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296250 864548423 /nfs/dbraw/zinc/54/84/23/864548423.db2.gz HOKCDTWFVGRBHN-MRXNPFEDSA-N 2 2 302.422 1.609 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296250 864548427 /nfs/dbraw/zinc/54/84/27/864548427.db2.gz HOKCDTWFVGRBHN-MRXNPFEDSA-N 2 2 302.422 1.609 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001330849709 864651429 /nfs/dbraw/zinc/65/14/29/864651429.db2.gz DVRBCHQFJUOQEZ-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001331490111 865114026 /nfs/dbraw/zinc/11/40/26/865114026.db2.gz ONNNLKPRDGAPFS-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C[C@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001331954170 865456111 /nfs/dbraw/zinc/45/61/11/865456111.db2.gz GVSRVPHYYIMYJL-QGZVFWFLSA-N 2 2 320.433 1.688 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001321431949 867588890 /nfs/dbraw/zinc/58/88/90/867588890.db2.gz KXSOYMKVJIPQAC-PLNGDYQASA-N 2 2 308.385 1.197 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325427979 868020791 /nfs/dbraw/zinc/02/07/91/868020791.db2.gz KWFAMTDWSJXYAD-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322194575 868039274 /nfs/dbraw/zinc/03/92/74/868039274.db2.gz USYGNOLRXJAWFV-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322194575 868039287 /nfs/dbraw/zinc/03/92/87/868039287.db2.gz USYGNOLRXJAWFV-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP N#Cc1ccc2cc[nH+]c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1 ZINC001165288513 869498943 /nfs/dbraw/zinc/49/89/43/869498943.db2.gz MZQBLZFHFHKTDU-NVXWUHKLSA-N 2 2 308.385 1.921 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165835212 869728684 /nfs/dbraw/zinc/72/86/84/869728684.db2.gz HDLZJCXCAAKXRW-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317150572 870368833 /nfs/dbraw/zinc/36/88/33/870368833.db2.gz CMSGMBVTBBZNNE-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317301220 870603137 /nfs/dbraw/zinc/60/31/37/870603137.db2.gz DOVORPLITDMXPD-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317394081 870761534 /nfs/dbraw/zinc/76/15/34/870761534.db2.gz XRPDHPARVCZVSQ-AWEZNQCLSA-N 2 2 302.422 1.270 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317326749 871161916 /nfs/dbraw/zinc/16/19/16/871161916.db2.gz RHKBHNXGSWTSQV-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP CC#CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001205136442 871387717 /nfs/dbraw/zinc/38/77/17/871387717.db2.gz AFOHROVQRBAUPU-UHFFFAOYSA-N 2 2 302.418 1.901 20 30 DDEDLP CCCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001318087918 871737571 /nfs/dbraw/zinc/73/75/71/871737571.db2.gz WLGXOZFJJIMLPY-MRXNPFEDSA-N 2 2 311.470 1.478 20 30 DDEDLP CCCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001318087918 871737593 /nfs/dbraw/zinc/73/75/93/871737593.db2.gz WLGXOZFJJIMLPY-MRXNPFEDSA-N 2 2 311.470 1.478 20 30 DDEDLP C#CC[NH2+]C[C@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001318745263 872243991 /nfs/dbraw/zinc/24/39/91/872243991.db2.gz MTRBKIRHXZKSOK-DOTOQJQBSA-N 2 2 302.422 1.561 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450937 874153329 /nfs/dbraw/zinc/15/33/29/874153329.db2.gz OBLJQDHWYOQJMH-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453685 874157701 /nfs/dbraw/zinc/15/77/01/874157701.db2.gz NBFLOFPYSQCONP-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208737843 874430045 /nfs/dbraw/zinc/43/00/45/874430045.db2.gz BVKUSKLOQYBTRR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208737843 874430052 /nfs/dbraw/zinc/43/00/52/874430052.db2.gz BVKUSKLOQYBTRR-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCN1C(=O)CCC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001209727186 875081247 /nfs/dbraw/zinc/08/12/47/875081247.db2.gz UEMMSOKVXGCNQF-UHFFFAOYSA-N 2 2 300.406 1.637 20 30 DDEDLP Cn1cc(C[NH+]2CC3(CN(Cc4c[nH+]ccc4N)C3)C2)cc1C#N ZINC001276713634 876431789 /nfs/dbraw/zinc/43/17/89/876431789.db2.gz QLLDIYABVHQYLS-UHFFFAOYSA-N 2 2 322.416 1.022 20 30 DDEDLP CNc1ccc(C#N)cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218980685 877850620 /nfs/dbraw/zinc/85/06/20/877850620.db2.gz IRPCTCUMGBWBDX-AWEZNQCLSA-N 2 2 309.373 1.811 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nc1 ZINC001219422337 878196601 /nfs/dbraw/zinc/19/66/01/878196601.db2.gz KIUBOHJEMJYNPK-KBPBESRZSA-N 2 2 307.357 1.105 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609507 879128948 /nfs/dbraw/zinc/12/89/48/879128948.db2.gz PLJJFNNIDXWVDJ-WBVHZDCISA-N 2 2 317.433 1.424 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609507 879128959 /nfs/dbraw/zinc/12/89/59/879128959.db2.gz PLJJFNNIDXWVDJ-WBVHZDCISA-N 2 2 317.433 1.424 20 30 DDEDLP COc1ccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c(C#N)c1 ZINC001222090432 880234519 /nfs/dbraw/zinc/23/45/19/880234519.db2.gz AXDLJJOEPJGSNL-UHFFFAOYSA-N 2 2 300.406 1.094 20 30 DDEDLP C=CCOCC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419228 880954002 /nfs/dbraw/zinc/95/40/02/880954002.db2.gz HYSXNBQGCWHEAJ-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419228 880954010 /nfs/dbraw/zinc/95/40/10/880954010.db2.gz HYSXNBQGCWHEAJ-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C[NH+](C)Cc1cc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229858507 884197200 /nfs/dbraw/zinc/19/72/00/884197200.db2.gz OAVUFDMYABJXQR-RCKFOTBSSA-N 2 2 306.381 1.879 20 30 DDEDLP C[NH+](C)Cc1cc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229858507 884197207 /nfs/dbraw/zinc/19/72/07/884197207.db2.gz OAVUFDMYABJXQR-RCKFOTBSSA-N 2 2 306.381 1.879 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)(C#N)CC3)cn2)CC1 ZINC001232362102 886289416 /nfs/dbraw/zinc/28/94/16/886289416.db2.gz JTYQXOBBBFEKPJ-UHFFFAOYSA-N 2 2 313.449 1.959 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278516920 894014202 /nfs/dbraw/zinc/01/42/02/894014202.db2.gz XUDAQQUQPQDOEM-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278516920 894014232 /nfs/dbraw/zinc/01/42/32/894014232.db2.gz XUDAQQUQPQDOEM-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)Cc1ccccc1 ZINC001278538908 894135572 /nfs/dbraw/zinc/13/55/72/894135572.db2.gz KPKMWXNCVCCCEG-GOSISDBHSA-N 2 2 324.428 1.614 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001265092621 901543399 /nfs/dbraw/zinc/54/33/99/901543399.db2.gz TYRUOMIICPWDBF-HOCLYGCPSA-N 2 2 302.422 1.643 20 30 DDEDLP CC#CC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265364802 901929197 /nfs/dbraw/zinc/92/91/97/901929197.db2.gz VDHYTRKDEYXQMT-SFHVURJKSA-N 2 2 322.412 1.994 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001265735965 902354444 /nfs/dbraw/zinc/35/44/44/902354444.db2.gz BHZRMJFCOUPTTD-QQFBHYJXSA-N 2 2 314.433 1.486 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370494815 903293171 /nfs/dbraw/zinc/29/31/71/903293171.db2.gz OKQSMVDQMWZGSS-QAQDUYKDSA-N 2 2 323.400 1.582 20 30 DDEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001281142680 904469079 /nfs/dbraw/zinc/46/90/79/904469079.db2.gz HDLVTDYTJCZKPM-KRWDZBQOSA-N 2 2 314.389 1.077 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001283078910 906586820 /nfs/dbraw/zinc/58/68/20/906586820.db2.gz BUADCYKXZQWJIA-KLHDSHLOSA-N 2 2 316.449 1.974 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283204692 906881487 /nfs/dbraw/zinc/88/14/87/906881487.db2.gz USQHQFORQNLQOF-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001375174608 915184433 /nfs/dbraw/zinc/18/44/33/915184433.db2.gz KMECSGYEMTZXRY-ZIAGYGMSSA-N 2 2 310.829 1.900 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000328793693 539299069 /nfs/dbraw/zinc/29/90/69/539299069.db2.gz SBQIWXSFLLWOOU-CYBMUJFWSA-N 2 2 317.437 1.707 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000328793693 539299070 /nfs/dbraw/zinc/29/90/70/539299070.db2.gz SBQIWXSFLLWOOU-CYBMUJFWSA-N 2 2 317.437 1.707 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412870 353900975 /nfs/dbraw/zinc/90/09/75/353900975.db2.gz FEOJKUNVZQSFPQ-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412870 353900977 /nfs/dbraw/zinc/90/09/77/353900977.db2.gz FEOJKUNVZQSFPQ-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3COCCOC3)CC2)cc1 ZINC000589938147 355032495 /nfs/dbraw/zinc/03/24/95/355032495.db2.gz GNDMQVBSOBEGKR-UHFFFAOYSA-N 2 2 315.417 1.528 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](CC#N)C3)cn2)CC1 ZINC000597173603 357083487 /nfs/dbraw/zinc/08/34/87/357083487.db2.gz KWISJIIOLYJLNM-HNNXBMFYSA-N 2 2 314.437 1.354 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](CC#N)C3)cn2)CC1 ZINC000597173603 357083490 /nfs/dbraw/zinc/08/34/90/357083490.db2.gz KWISJIIOLYJLNM-HNNXBMFYSA-N 2 2 314.437 1.354 20 30 DDEDLP CCn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590878 357644350 /nfs/dbraw/zinc/64/43/50/357644350.db2.gz UXRLSHIURZLZKA-HNNXBMFYSA-N 2 2 319.453 1.321 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000598614289 357654157 /nfs/dbraw/zinc/65/41/57/357654157.db2.gz CHFVBYBJDVRNIU-HOTGVXAUSA-N 2 2 309.454 1.474 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000598614289 357654160 /nfs/dbraw/zinc/65/41/60/357654160.db2.gz CHFVBYBJDVRNIU-HOTGVXAUSA-N 2 2 309.454 1.474 20 30 DDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598617863 357655208 /nfs/dbraw/zinc/65/52/08/357655208.db2.gz ICSSJDGXSCRULJ-HNNXBMFYSA-N 2 2 302.422 1.813 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329781154 223027254 /nfs/dbraw/zinc/02/72/54/223027254.db2.gz SLZLLWLYXUQPMK-DOMZBBRYSA-N 2 2 317.437 1.986 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329781154 223027258 /nfs/dbraw/zinc/02/72/58/223027258.db2.gz SLZLLWLYXUQPMK-DOMZBBRYSA-N 2 2 317.437 1.986 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000600733518 358300021 /nfs/dbraw/zinc/30/00/21/358300021.db2.gz JYJFEECHJAQPLZ-IRXDYDNUSA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CCOCC1 ZINC000600733518 358300022 /nfs/dbraw/zinc/30/00/22/358300022.db2.gz JYJFEECHJAQPLZ-IRXDYDNUSA-N 2 2 321.465 1.664 20 30 DDEDLP C[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602863302 359248233 /nfs/dbraw/zinc/24/82/33/359248233.db2.gz MVGYCYHIZRWQLG-HOTGVXAUSA-N 2 2 314.433 1.784 20 30 DDEDLP C#CC[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000266965703 407695530 /nfs/dbraw/zinc/69/55/30/407695530.db2.gz YGVXIHWVHWNSLL-UHFFFAOYSA-N 2 2 300.406 1.075 20 30 DDEDLP C#CC[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000266965703 407695535 /nfs/dbraw/zinc/69/55/35/407695535.db2.gz YGVXIHWVHWNSLL-UHFFFAOYSA-N 2 2 300.406 1.075 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131875541 407756733 /nfs/dbraw/zinc/75/67/33/407756733.db2.gz FWHADYNNRWREQQ-ZBFHGGJFSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131875541 407756736 /nfs/dbraw/zinc/75/67/36/407756736.db2.gz FWHADYNNRWREQQ-ZBFHGGJFSA-N 2 2 316.405 1.543 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621498 408730817 /nfs/dbraw/zinc/73/08/17/408730817.db2.gz GRRPXJNQVBTNPN-SOUVJXGZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621498 408730821 /nfs/dbraw/zinc/73/08/21/408730821.db2.gz GRRPXJNQVBTNPN-SOUVJXGZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621498 408730827 /nfs/dbraw/zinc/73/08/27/408730827.db2.gz GRRPXJNQVBTNPN-SOUVJXGZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621498 408730832 /nfs/dbraw/zinc/73/08/32/408730832.db2.gz GRRPXJNQVBTNPN-SOUVJXGZSA-N 2 2 304.438 1.211 20 30 DDEDLP CO[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290306472 409355046 /nfs/dbraw/zinc/35/50/46/409355046.db2.gz ZHKTUXNNRZABGK-ROUUACIJSA-N 2 2 315.417 1.526 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355093560 410309407 /nfs/dbraw/zinc/30/94/07/410309407.db2.gz FFBPWBIIXGBGQG-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355093560 410309412 /nfs/dbraw/zinc/30/94/12/410309412.db2.gz FFBPWBIIXGBGQG-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000361033248 418569447 /nfs/dbraw/zinc/56/94/47/418569447.db2.gz IVFBRZLKPWJBNB-UHFFFAOYSA-N 2 2 317.437 1.757 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011804 222226214 /nfs/dbraw/zinc/22/62/14/222226214.db2.gz XKPQGKBMOBLAPY-VYDXJSESSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011804 222226216 /nfs/dbraw/zinc/22/62/16/222226216.db2.gz XKPQGKBMOBLAPY-VYDXJSESSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247011804 222226219 /nfs/dbraw/zinc/22/62/19/222226219.db2.gz XKPQGKBMOBLAPY-VYDXJSESSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247011804 222226223 /nfs/dbraw/zinc/22/62/23/222226223.db2.gz XKPQGKBMOBLAPY-VYDXJSESSA-N 2 2 318.465 1.696 20 30 DDEDLP [NH2+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000261749642 222256393 /nfs/dbraw/zinc/25/63/93/222256393.db2.gz JRJSFRJIPIGGQC-HNNXBMFYSA-N 2 2 324.469 1.105 20 30 DDEDLP C[C@H]1C[NH+]=C(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)N1 ZINC000262666161 222289069 /nfs/dbraw/zinc/28/90/69/222289069.db2.gz OTYGNPGAAIRPBH-ZDUSSCGKSA-N 2 2 321.856 1.399 20 30 DDEDLP CN1CCC[NH+]=C1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000263203583 222306216 /nfs/dbraw/zinc/30/62/16/222306216.db2.gz XTYFLTSLGHKVAT-UHFFFAOYSA-N 2 2 306.841 1.979 20 30 DDEDLP CN1CCC[NH+]=C1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000263203583 222306218 /nfs/dbraw/zinc/30/62/18/222306218.db2.gz XTYFLTSLGHKVAT-UHFFFAOYSA-N 2 2 306.841 1.979 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000368442027 418720650 /nfs/dbraw/zinc/72/06/50/418720650.db2.gz KGSQBRQPWAWDFZ-IBGZPJMESA-N 2 2 315.436 1.889 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000368442027 418720652 /nfs/dbraw/zinc/72/06/52/418720652.db2.gz KGSQBRQPWAWDFZ-IBGZPJMESA-N 2 2 315.436 1.889 20 30 DDEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000389252486 418748824 /nfs/dbraw/zinc/74/88/24/418748824.db2.gz MYHPRLUWLJSKRZ-CVEARBPZSA-N 2 2 303.406 1.372 20 30 DDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000389252486 418748825 /nfs/dbraw/zinc/74/88/25/418748825.db2.gz MYHPRLUWLJSKRZ-CVEARBPZSA-N 2 2 303.406 1.372 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393502 418754012 /nfs/dbraw/zinc/75/40/12/418754012.db2.gz NPKYBDQPVXJILT-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393502 418754015 /nfs/dbraw/zinc/75/40/15/418754015.db2.gz NPKYBDQPVXJILT-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393502 418754018 /nfs/dbraw/zinc/75/40/18/418754018.db2.gz NPKYBDQPVXJILT-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393502 418754021 /nfs/dbraw/zinc/75/40/21/418754021.db2.gz NPKYBDQPVXJILT-YQQAZPJKSA-N 2 2 308.470 1.703 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000527297133 421375510 /nfs/dbraw/zinc/37/55/10/421375510.db2.gz KTLNETRHRBVIIL-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000527297133 421375511 /nfs/dbraw/zinc/37/55/11/421375511.db2.gz KTLNETRHRBVIIL-HZPDHXFCSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000514856420 421459561 /nfs/dbraw/zinc/45/95/61/421459561.db2.gz ZVUCPWFLCYRFPD-JKSUJKDBSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000514856420 421459565 /nfs/dbraw/zinc/45/95/65/421459565.db2.gz ZVUCPWFLCYRFPD-JKSUJKDBSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000514856420 421459568 /nfs/dbraw/zinc/45/95/68/421459568.db2.gz ZVUCPWFLCYRFPD-JKSUJKDBSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000514856420 421459571 /nfs/dbraw/zinc/45/95/71/421459571.db2.gz ZVUCPWFLCYRFPD-JKSUJKDBSA-N 2 2 310.486 1.293 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568254607 421618481 /nfs/dbraw/zinc/61/84/81/421618481.db2.gz FDADPRBIMINKKU-JKSUJKDBSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568254607 421618483 /nfs/dbraw/zinc/61/84/83/421618483.db2.gz FDADPRBIMINKKU-JKSUJKDBSA-N 2 2 303.406 1.176 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000581892703 422063526 /nfs/dbraw/zinc/06/35/26/422063526.db2.gz UGDBLVNCQNOGGK-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000581892703 422063529 /nfs/dbraw/zinc/06/35/29/422063529.db2.gz UGDBLVNCQNOGGK-CRAIPNDOSA-N 2 2 313.449 1.411 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310721 423312180 /nfs/dbraw/zinc/31/21/80/423312180.db2.gz DIWIXWPQXQILMB-ZACQAIPSSA-N 2 2 321.465 1.204 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310721 423312187 /nfs/dbraw/zinc/31/21/87/423312187.db2.gz DIWIXWPQXQILMB-ZACQAIPSSA-N 2 2 321.465 1.204 20 30 DDEDLP C=CC[C@@]1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]1 ZINC000662715159 424745571 /nfs/dbraw/zinc/74/55/71/424745571.db2.gz OIGWOLORSKTCGW-ZDUSSCGKSA-N 2 2 316.327 1.760 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCOC(C)C)CC2)CCC[NH2+]1 ZINC000662741697 424752400 /nfs/dbraw/zinc/75/24/00/424752400.db2.gz IABXNNSEXJVJJB-KRWDZBQOSA-N 2 2 309.454 1.254 20 30 DDEDLP CC(C)(C#N)CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159368397 277120728 /nfs/dbraw/zinc/12/07/28/277120728.db2.gz GPKBHACFIDNQPA-OAHLLOKOSA-N 2 2 306.454 1.730 20 30 DDEDLP CC(C)(C#N)CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159368397 277120730 /nfs/dbraw/zinc/12/07/30/277120730.db2.gz GPKBHACFIDNQPA-OAHLLOKOSA-N 2 2 306.454 1.730 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000247264214 341362811 /nfs/dbraw/zinc/36/28/11/341362811.db2.gz VOWBENPTYXFIHQ-OAGGEKHMSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000247264214 341362812 /nfs/dbraw/zinc/36/28/12/341362812.db2.gz VOWBENPTYXFIHQ-OAGGEKHMSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247264214 341362813 /nfs/dbraw/zinc/36/28/13/341362813.db2.gz VOWBENPTYXFIHQ-OAGGEKHMSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247264214 341362814 /nfs/dbraw/zinc/36/28/14/341362814.db2.gz VOWBENPTYXFIHQ-OAGGEKHMSA-N 2 2 308.470 1.657 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491735339 526802376 /nfs/dbraw/zinc/80/23/76/526802376.db2.gz JZHGWPSOZZXSKH-UHFFFAOYSA-N 2 2 316.405 1.017 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491735339 526802381 /nfs/dbraw/zinc/80/23/81/526802381.db2.gz JZHGWPSOZZXSKH-UHFFFAOYSA-N 2 2 316.405 1.017 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980245007 696717391 /nfs/dbraw/zinc/71/73/91/696717391.db2.gz LEWMSRYPILQIOK-SOUVJXGZSA-N 2 2 322.840 1.852 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980245007 696717393 /nfs/dbraw/zinc/71/73/93/696717393.db2.gz LEWMSRYPILQIOK-SOUVJXGZSA-N 2 2 322.840 1.852 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749066 695725740 /nfs/dbraw/zinc/72/57/40/695725740.db2.gz GMTLOFOHTIIZAR-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974749066 695725741 /nfs/dbraw/zinc/72/57/41/695725741.db2.gz GMTLOFOHTIIZAR-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750263 696452056 /nfs/dbraw/zinc/45/20/56/696452056.db2.gz JIDGMTFKNHQHDB-TUVASFSCSA-N 2 2 312.417 1.147 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978750263 696452058 /nfs/dbraw/zinc/45/20/58/696452058.db2.gz JIDGMTFKNHQHDB-TUVASFSCSA-N 2 2 312.417 1.147 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476982 697106660 /nfs/dbraw/zinc/10/66/60/697106660.db2.gz MSFZVMUAHPQHOG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476982 697106666 /nfs/dbraw/zinc/10/66/66/697106666.db2.gz MSFZVMUAHPQHOG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981512928 697115305 /nfs/dbraw/zinc/11/53/05/697115305.db2.gz CQIFRFRUIJDRFL-UHFFFAOYSA-N 2 2 320.437 1.850 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981512928 697115307 /nfs/dbraw/zinc/11/53/07/697115307.db2.gz CQIFRFRUIJDRFL-UHFFFAOYSA-N 2 2 320.437 1.850 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985547041 697528474 /nfs/dbraw/zinc/52/84/74/697528474.db2.gz DKOPRHJVGFWEQT-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000985547041 697528475 /nfs/dbraw/zinc/52/84/75/697528475.db2.gz DKOPRHJVGFWEQT-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000985773137 697571205 /nfs/dbraw/zinc/57/12/05/697571205.db2.gz IWKTVDUTUFMIOG-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000985773137 697571207 /nfs/dbraw/zinc/57/12/07/697571207.db2.gz IWKTVDUTUFMIOG-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866279451 706663034 /nfs/dbraw/zinc/66/30/34/706663034.db2.gz UEVCAPGOJBZELN-AWEZNQCLSA-N 2 2 316.449 1.940 20 30 DDEDLP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C#N ZINC000848558887 703562830 /nfs/dbraw/zinc/56/28/30/703562830.db2.gz PKAAMEGNGCYCFF-UHFFFAOYSA-N 2 2 303.406 1.503 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823188255 705166352 /nfs/dbraw/zinc/16/63/52/705166352.db2.gz PLTTZJSKZGZNNF-GFCCVEGCSA-N 2 2 316.327 1.448 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823188255 705166354 /nfs/dbraw/zinc/16/63/54/705166354.db2.gz PLTTZJSKZGZNNF-GFCCVEGCSA-N 2 2 316.327 1.448 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252566 706920851 /nfs/dbraw/zinc/92/08/51/706920851.db2.gz NDTKLBNZQLOMDK-OAHLLOKOSA-N 2 2 309.454 1.119 20 30 DDEDLP C#CC[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000883124594 707934035 /nfs/dbraw/zinc/93/40/35/707934035.db2.gz KWXAEERSSNXTNR-INIZCTEOSA-N 2 2 301.434 1.695 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccccc1-n1cc[nH+]c1)C2 ZINC000884184972 708177129 /nfs/dbraw/zinc/17/71/29/708177129.db2.gz GOTPKLAGZPKDHU-TXKKKEFDSA-N 2 2 321.384 1.950 20 30 DDEDLP Cc1nnc(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)o1 ZINC000902717331 710876099 /nfs/dbraw/zinc/87/60/99/710876099.db2.gz OTQKABZUTOHZMY-UHFFFAOYSA-N 2 2 303.366 1.319 20 30 DDEDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925787627 714935064 /nfs/dbraw/zinc/93/50/64/714935064.db2.gz YTLPRJLDEPASHR-QAPCUYQASA-N 3 2 312.461 1.968 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939815373 716440356 /nfs/dbraw/zinc/44/03/56/716440356.db2.gz GHVCUKKCDLSHGL-UKRRQHHQSA-N 2 2 319.474 1.729 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000939815373 716440358 /nfs/dbraw/zinc/44/03/58/716440358.db2.gz GHVCUKKCDLSHGL-UKRRQHHQSA-N 2 2 319.474 1.729 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965586952 717698490 /nfs/dbraw/zinc/69/84/90/717698490.db2.gz AZWKPXKMSGSMDH-UHFFFAOYSA-N 2 2 308.813 1.722 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946801086 718912835 /nfs/dbraw/zinc/91/28/35/718912835.db2.gz YLQWWKSLTZESQA-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946801086 718912837 /nfs/dbraw/zinc/91/28/37/718912837.db2.gz YLQWWKSLTZESQA-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473851 719177688 /nfs/dbraw/zinc/17/76/88/719177688.db2.gz OTSIVYOAJGOJGJ-KGLIPLIRSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473851 719177691 /nfs/dbraw/zinc/17/76/91/719177691.db2.gz OTSIVYOAJGOJGJ-KGLIPLIRSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000947889710 719299177 /nfs/dbraw/zinc/29/91/77/719299177.db2.gz DXXSYTZZQZJJOL-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000947889710 719299179 /nfs/dbraw/zinc/29/91/79/719299179.db2.gz DXXSYTZZQZJJOL-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556636 719546015 /nfs/dbraw/zinc/54/60/15/719546015.db2.gz UHWAFKYWPMYUNG-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556636 719546022 /nfs/dbraw/zinc/54/60/22/719546022.db2.gz UHWAFKYWPMYUNG-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000969719245 720263352 /nfs/dbraw/zinc/26/33/52/720263352.db2.gz ZJTNNWHDFQMUMR-WBMJQRKESA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000969719245 720263353 /nfs/dbraw/zinc/26/33/53/720263353.db2.gz ZJTNNWHDFQMUMR-WBMJQRKESA-N 2 2 317.437 1.413 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000970261329 720681958 /nfs/dbraw/zinc/68/19/58/720681958.db2.gz 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YMBFCBKCLCWKDN-FMKPAKJESA-N 2 2 300.406 1.048 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679803 742072831 /nfs/dbraw/zinc/07/28/31/742072831.db2.gz YMBFCBKCLCWKDN-FMKPAKJESA-N 2 2 300.406 1.048 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304531 742648772 /nfs/dbraw/zinc/64/87/72/742648772.db2.gz SBVGKCDLMLVKRP-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304531 742648774 /nfs/dbraw/zinc/64/87/74/742648774.db2.gz SBVGKCDLMLVKRP-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035763283 751846075 /nfs/dbraw/zinc/84/60/75/751846075.db2.gz QGCVLVLPUNNAEI-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855930 743738396 /nfs/dbraw/zinc/73/83/96/743738396.db2.gz LYESGKJSKIMHIG-JJRVBVJISA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855930 743738398 /nfs/dbraw/zinc/73/83/98/743738398.db2.gz LYESGKJSKIMHIG-JJRVBVJISA-N 2 2 302.422 1.296 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533493 744055433 /nfs/dbraw/zinc/05/54/33/744055433.db2.gz FXEGTMKJJVURMJ-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533493 744055437 /nfs/dbraw/zinc/05/54/37/744055437.db2.gz FXEGTMKJJVURMJ-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852180 744104971 /nfs/dbraw/zinc/10/49/71/744104971.db2.gz UEUXEXAXGIROHS-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184852179 744105018 /nfs/dbraw/zinc/10/50/18/744105018.db2.gz UEUXEXAXGIROHS-HOTGVXAUSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491759 744236158 /nfs/dbraw/zinc/23/61/58/744236158.db2.gz JLWSGEUDUHVKSV-GJZGRUSLSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586501 744253657 /nfs/dbraw/zinc/25/36/57/744253657.db2.gz PMGYKSGFQOKAKV-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185786786 744285715 /nfs/dbraw/zinc/28/57/15/744285715.db2.gz AYDMHMWJQCQHAB-IAGOWNOFSA-N 2 2 316.449 1.761 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787588 744285989 /nfs/dbraw/zinc/28/59/89/744285989.db2.gz GTOLJAGABVOYLM-DLBZAZTESA-N 2 2 316.449 1.761 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000992799885 745206057 /nfs/dbraw/zinc/20/60/57/745206057.db2.gz ZYMDBMDJAGMILV-OWCLPIDISA-N 2 2 300.406 1.123 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106677679 745894821 /nfs/dbraw/zinc/89/48/21/745894821.db2.gz CJHWJFSIVHKKNR-KLHDSHLOSA-N 2 2 316.449 1.784 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036002719 752069324 /nfs/dbraw/zinc/06/93/24/752069324.db2.gz BZYBGXNHFTWMPM-AAEUAGOBSA-N 2 2 310.829 1.921 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267493 746554079 /nfs/dbraw/zinc/55/40/79/746554079.db2.gz KFCDGSDODPKLAO-GOEBONIOSA-N 2 2 314.433 1.754 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196383001 746850369 /nfs/dbraw/zinc/85/03/69/746850369.db2.gz XHXULYHMFJAHNN-UHFFFAOYSA-N 2 2 320.437 1.850 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001196383001 746850377 /nfs/dbraw/zinc/85/03/77/746850377.db2.gz XHXULYHMFJAHNN-UHFFFAOYSA-N 2 2 320.437 1.850 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003210289 747051533 /nfs/dbraw/zinc/05/15/33/747051533.db2.gz OZHGKGWYEFBDQZ-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003210289 747051541 /nfs/dbraw/zinc/05/15/41/747051541.db2.gz OZHGKGWYEFBDQZ-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP C=CCOCC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197817555 747286523 /nfs/dbraw/zinc/28/65/23/747286523.db2.gz MDAXJNIPTVTEPK-UHFFFAOYSA-N 2 2 320.437 1.424 20 30 DDEDLP C=CCOCC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197817555 747286526 /nfs/dbraw/zinc/28/65/26/747286526.db2.gz MDAXJNIPTVTEPK-UHFFFAOYSA-N 2 2 320.437 1.424 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001007519015 752185638 /nfs/dbraw/zinc/18/56/38/752185638.db2.gz GUQWPPXKBYJNEF-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001007519015 752185641 /nfs/dbraw/zinc/18/56/41/752185641.db2.gz GUQWPPXKBYJNEF-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001007519015 752185643 /nfs/dbraw/zinc/18/56/43/752185643.db2.gz GUQWPPXKBYJNEF-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001007519015 752185645 /nfs/dbraw/zinc/18/56/45/752185645.db2.gz GUQWPPXKBYJNEF-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802979 747881882 /nfs/dbraw/zinc/88/18/82/747881882.db2.gz JJFWFSUGOVKWJD-FZKCQIBNSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802979 747881890 /nfs/dbraw/zinc/88/18/90/747881890.db2.gz JJFWFSUGOVKWJD-FZKCQIBNSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001201301030 748469581 /nfs/dbraw/zinc/46/95/81/748469581.db2.gz JTXULZRRVGFVND-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623489 748590024 /nfs/dbraw/zinc/59/00/24/748590024.db2.gz HXALMJABGPRRAL-INIZCTEOSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004623489 748590028 /nfs/dbraw/zinc/59/00/28/748590028.db2.gz HXALMJABGPRRAL-INIZCTEOSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995977483 749312503 /nfs/dbraw/zinc/31/25/03/749312503.db2.gz FZEWMXQEWWOYNA-UKRRQHHQSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996097904 749365889 /nfs/dbraw/zinc/36/58/89/749365889.db2.gz HFRLFYDVJQNYKX-CVEARBPZSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996097904 749365893 /nfs/dbraw/zinc/36/58/93/749365893.db2.gz HFRLFYDVJQNYKX-CVEARBPZSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646041 750107409 /nfs/dbraw/zinc/10/74/09/750107409.db2.gz ORKITHVEPPXPLR-FSDCSDTHSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646041 750107415 /nfs/dbraw/zinc/10/74/15/750107415.db2.gz ORKITHVEPPXPLR-FSDCSDTHSA-N 2 2 312.417 1.190 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647124 750109395 /nfs/dbraw/zinc/10/93/95/750109395.db2.gz FQCVHQNDHNZYCU-OMNBBPDLSA-N 2 2 314.433 1.731 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001095647124 750109398 /nfs/dbraw/zinc/10/93/98/750109398.db2.gz FQCVHQNDHNZYCU-OMNBBPDLSA-N 2 2 314.433 1.731 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000996858694 750221589 /nfs/dbraw/zinc/22/15/89/750221589.db2.gz QQOIVIIBMDNUHA-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996858694 750221595 /nfs/dbraw/zinc/22/15/95/750221595.db2.gz QQOIVIIBMDNUHA-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001034673060 750654674 /nfs/dbraw/zinc/65/46/74/750654674.db2.gz VEXKEXNOFYUZTD-SHTZXODSSA-N 2 2 303.406 1.836 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001032486207 751007415 /nfs/dbraw/zinc/00/74/15/751007415.db2.gz LBKMXRWJRMMRSL-KKUMJFAQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001032486207 751007419 /nfs/dbraw/zinc/00/74/19/751007419.db2.gz LBKMXRWJRMMRSL-KKUMJFAQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514047 751152540 /nfs/dbraw/zinc/15/25/40/751152540.db2.gz IUDPMHYWXCLAQL-HOTGVXAUSA-N 2 2 323.400 1.742 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514047 751152544 /nfs/dbraw/zinc/15/25/44/751152544.db2.gz IUDPMHYWXCLAQL-HOTGVXAUSA-N 2 2 323.400 1.742 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007306 753494895 /nfs/dbraw/zinc/49/48/95/753494895.db2.gz RZBHSBILUVLZKH-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007306 753494897 /nfs/dbraw/zinc/49/48/97/753494897.db2.gz RZBHSBILUVLZKH-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108007306 753494899 /nfs/dbraw/zinc/49/48/99/753494899.db2.gz RZBHSBILUVLZKH-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108007306 753494900 /nfs/dbraw/zinc/49/49/00/753494900.db2.gz RZBHSBILUVLZKH-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078656570 754254354 /nfs/dbraw/zinc/25/43/54/754254354.db2.gz KLXOMFBUAHBURJ-HZPDHXFCSA-N 2 2 315.417 1.836 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981918 755678784 /nfs/dbraw/zinc/67/87/84/755678784.db2.gz HEICJCYVQRXURU-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981918 755678786 /nfs/dbraw/zinc/67/87/86/755678786.db2.gz HEICJCYVQRXURU-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014505408 755766105 /nfs/dbraw/zinc/76/61/05/755766105.db2.gz BOKLVPJQGXIRBJ-WFASDCNBSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014505408 755766109 /nfs/dbraw/zinc/76/61/09/755766109.db2.gz BOKLVPJQGXIRBJ-WFASDCNBSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505408 755766111 /nfs/dbraw/zinc/76/61/11/755766111.db2.gz BOKLVPJQGXIRBJ-WFASDCNBSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505408 755766114 /nfs/dbraw/zinc/76/61/14/755766114.db2.gz BOKLVPJQGXIRBJ-WFASDCNBSA-N 2 2 303.410 1.167 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015014624 756071956 /nfs/dbraw/zinc/07/19/56/756071956.db2.gz OVAVTCUTQHJPBP-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015014624 756071960 /nfs/dbraw/zinc/07/19/60/756071960.db2.gz OVAVTCUTQHJPBP-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015014624 756071963 /nfs/dbraw/zinc/07/19/63/756071963.db2.gz OVAVTCUTQHJPBP-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015014624 756071969 /nfs/dbraw/zinc/07/19/69/756071969.db2.gz OVAVTCUTQHJPBP-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCF)C2 ZINC001040245027 762456858 /nfs/dbraw/zinc/45/68/58/762456858.db2.gz PSYYBLAJBWQFHJ-FUHWJXTLSA-N 2 2 321.440 1.368 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCF)C2 ZINC001040245027 762456859 /nfs/dbraw/zinc/45/68/59/762456859.db2.gz PSYYBLAJBWQFHJ-FUHWJXTLSA-N 2 2 321.440 1.368 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCF)C2 ZINC001040245027 762456861 /nfs/dbraw/zinc/45/68/61/762456861.db2.gz PSYYBLAJBWQFHJ-FUHWJXTLSA-N 2 2 321.440 1.368 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCF)C2 ZINC001040245027 762456862 /nfs/dbraw/zinc/45/68/62/762456862.db2.gz PSYYBLAJBWQFHJ-FUHWJXTLSA-N 2 2 321.440 1.368 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601095 756864791 /nfs/dbraw/zinc/86/47/91/756864791.db2.gz LZFOMEVPLYMAPT-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345014 757501806 /nfs/dbraw/zinc/50/18/06/757501806.db2.gz QAIQYRKHVCLSHO-HZPDHXFCSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345014 757501815 /nfs/dbraw/zinc/50/18/15/757501815.db2.gz QAIQYRKHVCLSHO-HZPDHXFCSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863930 757895792 /nfs/dbraw/zinc/89/57/92/757895792.db2.gz WQNOQZWQXJMPJM-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001052863930 757895807 /nfs/dbraw/zinc/89/58/07/757895807.db2.gz WQNOQZWQXJMPJM-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084974431 758118067 /nfs/dbraw/zinc/11/80/67/758118067.db2.gz ZCULZQDJVYJNJR-OAGGEKHMSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001084974431 758118070 /nfs/dbraw/zinc/11/80/70/758118070.db2.gz ZCULZQDJVYJNJR-OAGGEKHMSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)O2 ZINC001053619262 758638500 /nfs/dbraw/zinc/63/85/00/758638500.db2.gz OFAUVMMUKBDTKN-CVEARBPZSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001053619262 758638504 /nfs/dbraw/zinc/63/85/04/758638504.db2.gz OFAUVMMUKBDTKN-CVEARBPZSA-N 2 2 321.465 1.396 20 30 DDEDLP 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C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398085 768451191 /nfs/dbraw/zinc/45/11/91/768451191.db2.gz BQXBORQMOPOMPY-KBPBESRZSA-N 2 2 323.462 1.113 20 30 DDEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398085 768451196 /nfs/dbraw/zinc/45/11/96/768451196.db2.gz BQXBORQMOPOMPY-KBPBESRZSA-N 2 2 323.462 1.113 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132823535 769228400 /nfs/dbraw/zinc/22/84/00/769228400.db2.gz IBENTLYDZNJERE-WMLDXEAASA-N 2 2 324.428 1.964 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875195 769279981 /nfs/dbraw/zinc/27/99/81/769279981.db2.gz UTGBISXYYBYEIE-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875195 769279988 /nfs/dbraw/zinc/27/99/88/769279988.db2.gz UTGBISXYYBYEIE-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021666 769412668 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CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758414 771137539 /nfs/dbraw/zinc/13/75/39/771137539.db2.gz KTPPJGOJYZRVCQ-YESZJQIVSA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049758414 771137541 /nfs/dbraw/zinc/13/75/41/771137541.db2.gz KTPPJGOJYZRVCQ-YESZJQIVSA-N 2 2 314.433 1.923 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945038 771798014 /nfs/dbraw/zinc/79/80/14/771798014.db2.gz UJDYFEIRPYTUSI-KBPBESRZSA-N 2 2 308.426 1.038 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147600112 773179764 /nfs/dbraw/zinc/17/97/64/773179764.db2.gz PMUVHDLZVXMWCF-UHFFFAOYSA-N 2 2 305.769 1.339 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734872 774427909 /nfs/dbraw/zinc/42/79/09/774427909.db2.gz ZMCBNXCPGNYXER-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734872 774427913 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1.760 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036881224 775945177 /nfs/dbraw/zinc/94/51/77/775945177.db2.gz RKPGYRVAQSFGGO-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402127 778146325 /nfs/dbraw/zinc/14/63/25/778146325.db2.gz QJBMFGLPLQQUNH-HNNXBMFYSA-N 2 2 304.438 1.641 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178865761 779204204 /nfs/dbraw/zinc/20/42/04/779204204.db2.gz SHRWAQTXKUXSRG-MRXNPFEDSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001179018924 779248027 /nfs/dbraw/zinc/24/80/27/779248027.db2.gz OFXPSVHSLHRASQ-XHSDSOJGSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121464 779888616 /nfs/dbraw/zinc/88/86/16/779888616.db2.gz RCLCCKPKNOSALB-VQFNDLOPSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121464 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C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317172711 870410910 /nfs/dbraw/zinc/41/09/10/870410910.db2.gz KMEADYHIKZYYCU-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553263 871624936 /nfs/dbraw/zinc/62/49/36/871624936.db2.gz RUVXUBWNCAGFMC-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001318485234 872106578 /nfs/dbraw/zinc/10/65/78/872106578.db2.gz OWXZGNHINJMYPH-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001318485234 872106587 /nfs/dbraw/zinc/10/65/87/872106587.db2.gz OWXZGNHINJMYPH-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238301 872153855 /nfs/dbraw/zinc/15/38/55/872153855.db2.gz LNJFRFXIHJLBKF-OAHLLOKOSA-N 2 2 314.433 1.681 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276547087 873591476 /nfs/dbraw/zinc/59/14/76/873591476.db2.gz CXOJCGUMJBRVSW-SFHVURJKSA-N 2 2 321.465 1.352 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276547087 873591489 /nfs/dbraw/zinc/59/14/89/873591489.db2.gz CXOJCGUMJBRVSW-SFHVURJKSA-N 2 2 321.465 1.352 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061915 873798830 /nfs/dbraw/zinc/79/88/30/873798830.db2.gz RDHUMRFVRMMWQF-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061915 873798836 /nfs/dbraw/zinc/79/88/36/873798836.db2.gz RDHUMRFVRMMWQF-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208438978 874141682 /nfs/dbraw/zinc/14/16/82/874141682.db2.gz LARKHUHMBVXGJQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396562 877474134 /nfs/dbraw/zinc/47/41/34/877474134.db2.gz OSVMFEZNOCELJZ-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396562 877474146 /nfs/dbraw/zinc/47/41/46/877474146.db2.gz OSVMFEZNOCELJZ-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219454431 878241246 /nfs/dbraw/zinc/24/12/46/878241246.db2.gz UIJDLJQLEMHDSP-UONOGXRCSA-N 2 2 323.343 1.352 20 30 DDEDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001277456109 884495461 /nfs/dbraw/zinc/49/54/61/884495461.db2.gz AWNLTQHTWNVGTD-UHFFFAOYSA-N 2 2 323.444 1.861 20 30 DDEDLP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277663542 886363891 /nfs/dbraw/zinc/36/38/91/886363891.db2.gz ZHCSEAMTNVYZBJ-NVXWUHKLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001277913257 888284572 /nfs/dbraw/zinc/28/45/72/888284572.db2.gz DTNDHAQZKDMWGS-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001277913257 888284587 /nfs/dbraw/zinc/28/45/87/888284587.db2.gz DTNDHAQZKDMWGS-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C#CCOC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246064346 892397763 /nfs/dbraw/zinc/39/77/63/892397763.db2.gz LJTPNBQCGAUPNW-KRWDZBQOSA-N 2 2 314.429 1.134 20 30 DDEDLP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252464103 895176213 /nfs/dbraw/zinc/17/62/13/895176213.db2.gz UFVDHTYJWVSUQS-SOLBZPMBSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252464103 895176220 /nfs/dbraw/zinc/17/62/20/895176220.db2.gz UFVDHTYJWVSUQS-SOLBZPMBSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252464103 895176223 /nfs/dbraw/zinc/17/62/23/895176223.db2.gz UFVDHTYJWVSUQS-SOLBZPMBSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252464103 895176229 /nfs/dbraw/zinc/17/62/29/895176229.db2.gz UFVDHTYJWVSUQS-SOLBZPMBSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001252596294 895301094 /nfs/dbraw/zinc/30/10/94/895301094.db2.gz QFQKHXBUSJRSKX-AWEZNQCLSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001252596294 895301106 /nfs/dbraw/zinc/30/11/06/895301106.db2.gz QFQKHXBUSJRSKX-AWEZNQCLSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252596294 895301118 /nfs/dbraw/zinc/30/11/18/895301118.db2.gz QFQKHXBUSJRSKX-AWEZNQCLSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC001252596294 895301134 /nfs/dbraw/zinc/30/11/34/895301134.db2.gz QFQKHXBUSJRSKX-AWEZNQCLSA-N 2 2 306.454 1.935 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598079 895304679 /nfs/dbraw/zinc/30/46/79/895304679.db2.gz IYBSUIUNPMJWKD-KURKYZTESA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598079 895304690 /nfs/dbraw/zinc/30/46/90/895304690.db2.gz IYBSUIUNPMJWKD-KURKYZTESA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598079 895304701 /nfs/dbraw/zinc/30/47/01/895304701.db2.gz IYBSUIUNPMJWKD-KURKYZTESA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252598079 895304717 /nfs/dbraw/zinc/30/47/17/895304717.db2.gz IYBSUIUNPMJWKD-KURKYZTESA-N 2 2 318.465 1.501 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367135704 895969811 /nfs/dbraw/zinc/96/98/11/895969811.db2.gz HPPOIIDTKQKBBF-JTQLQIEISA-N 2 2 315.215 1.345 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663262 896559542 /nfs/dbraw/zinc/55/95/42/896559542.db2.gz PFWMALICZRYUOS-NRSFXHEJSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663262 896559554 /nfs/dbraw/zinc/55/95/54/896559554.db2.gz PFWMALICZRYUOS-NRSFXHEJSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663262 896559561 /nfs/dbraw/zinc/55/95/61/896559561.db2.gz PFWMALICZRYUOS-NRSFXHEJSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663262 896559579 /nfs/dbraw/zinc/55/95/79/896559579.db2.gz PFWMALICZRYUOS-NRSFXHEJSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665693 896563133 /nfs/dbraw/zinc/56/31/33/896563133.db2.gz PFWMALICZRYUOS-HPBDAGMYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665693 896563143 /nfs/dbraw/zinc/56/31/43/896563143.db2.gz PFWMALICZRYUOS-HPBDAGMYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665693 896563155 /nfs/dbraw/zinc/56/31/55/896563155.db2.gz PFWMALICZRYUOS-HPBDAGMYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665693 896563168 /nfs/dbraw/zinc/56/31/68/896563168.db2.gz PFWMALICZRYUOS-HPBDAGMYSA-N 2 2 313.449 1.866 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012804 897837627 /nfs/dbraw/zinc/83/76/27/897837627.db2.gz RIQIHWKODPKANT-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001390495869 899540170 /nfs/dbraw/zinc/54/01/70/899540170.db2.gz PUYNWOVXIVDXJA-SNVBAGLBSA-N 2 2 303.391 1.180 20 30 DDEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001264750083 901329431 /nfs/dbraw/zinc/32/94/31/901329431.db2.gz RMNAURZSYLARLV-ZDUSSCGKSA-N 2 2 320.462 1.091 20 30 DDEDLP CC#CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265364801 901927817 /nfs/dbraw/zinc/92/78/17/901927817.db2.gz VDHYTRKDEYXQMT-GOSISDBHSA-N 2 2 322.412 1.994 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001265653419 902260706 /nfs/dbraw/zinc/26/07/06/902260706.db2.gz ACNDMSQFVYCQLG-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001265653419 902260718 /nfs/dbraw/zinc/26/07/18/902260718.db2.gz ACNDMSQFVYCQLG-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001265653419 902260732 /nfs/dbraw/zinc/26/07/32/902260732.db2.gz ACNDMSQFVYCQLG-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001265653419 902260747 /nfs/dbraw/zinc/26/07/47/902260747.db2.gz ACNDMSQFVYCQLG-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989424 902718382 /nfs/dbraw/zinc/71/83/82/902718382.db2.gz DXVSOCXMQVPIQF-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001371581331 905258009 /nfs/dbraw/zinc/25/80/09/905258009.db2.gz KYHRLCYCWMLAPY-YNEHKIRRSA-N 2 2 308.813 1.704 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001371581331 905258028 /nfs/dbraw/zinc/25/80/28/905258028.db2.gz KYHRLCYCWMLAPY-YNEHKIRRSA-N 2 2 308.813 1.704 20 30 DDEDLP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283205489 906883607 /nfs/dbraw/zinc/88/36/07/906883607.db2.gz XPWGSHSZKSHIFU-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001377562531 922340475 /nfs/dbraw/zinc/34/04/75/922340475.db2.gz PNMACVDNDQXWOY-CYBMUJFWSA-N 2 2 317.861 1.022 20 30 DDEDLP C[NH+](Cc1ccccc1)C1CN(C[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000414130716 529868239 /nfs/dbraw/zinc/86/82/39/529868239.db2.gz XQOJDBIHUVOICH-GOSISDBHSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](Cc1ccccc1)C1CN(C[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000414130716 529868240 /nfs/dbraw/zinc/86/82/40/529868240.db2.gz XQOJDBIHUVOICH-GOSISDBHSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC000414130716 529868241 /nfs/dbraw/zinc/86/82/41/529868241.db2.gz XQOJDBIHUVOICH-GOSISDBHSA-N 2 2 316.449 1.009 20 30 DDEDLP C[NH+](CCC#N)C[C@@H](O)CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000414130716 529868242 /nfs/dbraw/zinc/86/82/42/529868242.db2.gz XQOJDBIHUVOICH-GOSISDBHSA-N 2 2 316.449 1.009 20 30 DDEDLP C[C@@H](C#N)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064795364 352944333 /nfs/dbraw/zinc/94/43/33/352944333.db2.gz DQIPCTQHRVSKCX-HNNXBMFYSA-N 2 2 315.421 1.212 20 30 DDEDLP C[C@@H](C#N)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064795364 352944335 /nfs/dbraw/zinc/94/43/35/352944335.db2.gz DQIPCTQHRVSKCX-HNNXBMFYSA-N 2 2 315.421 1.212 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000081665597 353687647 /nfs/dbraw/zinc/68/76/47/353687647.db2.gz XUKUCAMXPPVLCW-UHFFFAOYSA-N 2 2 303.381 1.035 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000081665597 353687650 /nfs/dbraw/zinc/68/76/50/353687650.db2.gz XUKUCAMXPPVLCW-UHFFFAOYSA-N 2 2 303.381 1.035 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000590925591 355216062 /nfs/dbraw/zinc/21/60/62/355216062.db2.gz MZQZOHJMNGFGCQ-AWEZNQCLSA-N 2 2 321.469 1.394 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)CC#N)C2)CC1 ZINC000590925591 355216064 /nfs/dbraw/zinc/21/60/64/355216064.db2.gz MZQZOHJMNGFGCQ-AWEZNQCLSA-N 2 2 321.469 1.394 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594445362 356219436 /nfs/dbraw/zinc/21/94/36/356219436.db2.gz DOIASCKIBKBJTP-CQSZACIVSA-N 2 2 301.394 1.141 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505401 356523189 /nfs/dbraw/zinc/52/31/89/356523189.db2.gz SSYMAVPVMYDIGQ-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505401 356523191 /nfs/dbraw/zinc/52/31/91/356523191.db2.gz SSYMAVPVMYDIGQ-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505401 356523193 /nfs/dbraw/zinc/52/31/93/356523193.db2.gz SSYMAVPVMYDIGQ-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505401 356523196 /nfs/dbraw/zinc/52/31/96/356523196.db2.gz SSYMAVPVMYDIGQ-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600749750 358306511 /nfs/dbraw/zinc/30/65/11/358306511.db2.gz RJIFDKWSGWOSLC-HOTGVXAUSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600749750 358306515 /nfs/dbraw/zinc/30/65/15/358306515.db2.gz RJIFDKWSGWOSLC-HOTGVXAUSA-N 2 2 317.433 1.760 20 30 DDEDLP C[C@H](CC#N)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000602860687 359246032 /nfs/dbraw/zinc/24/60/32/359246032.db2.gz DLBQUWRPYMPWIZ-OAHLLOKOSA-N 2 2 322.453 1.029 20 30 DDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910673 359701714 /nfs/dbraw/zinc/70/17/14/359701714.db2.gz XERXGFFOPYGKRW-HNCZQISISA-N 2 2 318.465 1.457 20 30 DDEDLP C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)C1CC[NH+](C)CC1 ZINC000609626240 360338499 /nfs/dbraw/zinc/33/84/99/360338499.db2.gz HUASXLDVMHDRGV-GFCCVEGCSA-N 2 2 313.409 1.882 20 30 DDEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000566241876 304132109 /nfs/dbraw/zinc/13/21/09/304132109.db2.gz CRJDVRIYNPTQHT-XYPWUTKMSA-N 2 2 310.405 1.658 20 30 DDEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000566241876 304132111 /nfs/dbraw/zinc/13/21/11/304132111.db2.gz CRJDVRIYNPTQHT-XYPWUTKMSA-N 2 2 310.405 1.658 20 30 DDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000566241876 304132114 /nfs/dbraw/zinc/13/21/14/304132114.db2.gz CRJDVRIYNPTQHT-XYPWUTKMSA-N 2 2 310.405 1.658 20 30 DDEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000566241876 304132116 /nfs/dbraw/zinc/13/21/16/304132116.db2.gz CRJDVRIYNPTQHT-XYPWUTKMSA-N 2 2 310.405 1.658 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475031 285396144 /nfs/dbraw/zinc/39/61/44/285396144.db2.gz LEBJLWGJCFXGGZ-KMFMINBZSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475031 285396145 /nfs/dbraw/zinc/39/61/45/285396145.db2.gz LEBJLWGJCFXGGZ-KMFMINBZSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475031 285396147 /nfs/dbraw/zinc/39/61/47/285396147.db2.gz LEBJLWGJCFXGGZ-KMFMINBZSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475031 285396148 /nfs/dbraw/zinc/39/61/48/285396148.db2.gz LEBJLWGJCFXGGZ-KMFMINBZSA-N 2 2 306.454 1.599 20 30 DDEDLP C=CCOCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929851 407855373 /nfs/dbraw/zinc/85/53/73/407855373.db2.gz ZPHWPWSESUPFKV-UHFFFAOYSA-N 2 2 323.481 1.644 20 30 DDEDLP C[NH+]1CCC(CNC(=O)CSCC#N)([NH+]2CCCCC2)CC1 ZINC000172753104 407848906 /nfs/dbraw/zinc/84/89/06/407848906.db2.gz GQDLCBINPZJWMA-UHFFFAOYSA-N 2 2 324.494 1.310 20 30 DDEDLP CN(C(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000273335855 408156734 /nfs/dbraw/zinc/15/67/34/408156734.db2.gz LDMXDKUXKZUNIC-MRXNPFEDSA-N 2 2 302.422 1.296 20 30 DDEDLP CN(C(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000273335855 408156742 /nfs/dbraw/zinc/15/67/42/408156742.db2.gz LDMXDKUXKZUNIC-MRXNPFEDSA-N 2 2 302.422 1.296 20 30 DDEDLP Cc1ncc(CO)c(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1O ZINC000278213177 409077458 /nfs/dbraw/zinc/07/74/58/409077458.db2.gz SZQSYSDRBIFJOD-VCHYOVAHSA-N 2 2 303.406 1.881 20 30 DDEDLP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304795819 409645651 /nfs/dbraw/zinc/64/56/51/409645651.db2.gz MMXQTJIDFKYQRB-UHFFFAOYSA-N 3 2 307.486 1.417 20 30 DDEDLP CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1c[nH+]cn1C ZINC000328798424 409982996 /nfs/dbraw/zinc/98/29/96/409982996.db2.gz WSNUQQIFKNRQNG-MRXNPFEDSA-N 2 2 319.453 1.854 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328606847 409934058 /nfs/dbraw/zinc/93/40/58/409934058.db2.gz KSDNXVMQMTZKNL-NFAWXSAZSA-N 2 2 317.437 1.747 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328606847 409934064 /nfs/dbraw/zinc/93/40/64/409934064.db2.gz KSDNXVMQMTZKNL-NFAWXSAZSA-N 2 2 317.437 1.747 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733212 410426118 /nfs/dbraw/zinc/42/61/18/410426118.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329733212 410426123 /nfs/dbraw/zinc/42/61/23/410426123.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733212 410426130 /nfs/dbraw/zinc/42/61/30/410426130.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 2 303.410 1.350 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733212 410426135 /nfs/dbraw/zinc/42/61/35/410426135.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 2 303.410 1.350 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000359907285 410944334 /nfs/dbraw/zinc/94/43/34/410944334.db2.gz NRWYJFVSHIHIJZ-UHFFFAOYSA-N 2 2 323.400 1.229 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205758 418570427 /nfs/dbraw/zinc/57/04/27/418570427.db2.gz LIKXQWPLJZLABO-WBVHZDCISA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205758 418570429 /nfs/dbraw/zinc/57/04/29/418570429.db2.gz LIKXQWPLJZLABO-WBVHZDCISA-N 2 2 306.454 1.553 20 30 DDEDLP C=CCS(=O)(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000374716177 418557758 /nfs/dbraw/zinc/55/77/58/418557758.db2.gz KWYRCGHJALUYKT-UHFFFAOYSA-N 2 2 314.495 1.974 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262008395 222269355 /nfs/dbraw/zinc/26/93/55/222269355.db2.gz WBLBVYBQDKNYMG-HRCADAONSA-N 3 2 318.469 1.293 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262008395 222269358 /nfs/dbraw/zinc/26/93/58/222269358.db2.gz WBLBVYBQDKNYMG-HRCADAONSA-N 3 2 318.469 1.293 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](CCCC(C)(C)C#N)CC2)C(=O)C1 ZINC000371643593 418807604 /nfs/dbraw/zinc/80/76/04/418807604.db2.gz XRMMAAWWQZTACX-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](CCCC(C)(C)C#N)CC2)C(=O)C1 ZINC000371643593 418807606 /nfs/dbraw/zinc/80/76/06/418807606.db2.gz XRMMAAWWQZTACX-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP Cc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC2)[nH+]c1 ZINC000424158800 228237500 /nfs/dbraw/zinc/23/75/00/228237500.db2.gz UFZRKMVHVSXJSG-HNNXBMFYSA-N 2 2 315.421 1.496 20 30 DDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421319730 419568022 /nfs/dbraw/zinc/56/80/22/419568022.db2.gz ATZRHZSTGRZHBG-MRXNPFEDSA-N 2 2 305.397 1.880 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211306 421685468 /nfs/dbraw/zinc/68/54/68/421685468.db2.gz PZDSKQHSGOITNT-HZPDHXFCSA-N 2 2 324.384 1.995 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211306 421685471 /nfs/dbraw/zinc/68/54/71/421685471.db2.gz PZDSKQHSGOITNT-HZPDHXFCSA-N 2 2 324.384 1.995 20 30 DDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013943 422478277 /nfs/dbraw/zinc/47/82/77/422478277.db2.gz OHLWYSDQKNCWBS-OAHLLOKOSA-N 2 2 324.432 1.765 20 30 DDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013943 422478278 /nfs/dbraw/zinc/47/82/78/422478278.db2.gz OHLWYSDQKNCWBS-OAHLLOKOSA-N 2 2 324.432 1.765 20 30 DDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013943 422478280 /nfs/dbraw/zinc/47/82/80/422478280.db2.gz OHLWYSDQKNCWBS-OAHLLOKOSA-N 2 2 324.432 1.765 20 30 DDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013943 422478282 /nfs/dbraw/zinc/47/82/82/422478282.db2.gz OHLWYSDQKNCWBS-OAHLLOKOSA-N 2 2 324.432 1.765 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629563312 422730391 /nfs/dbraw/zinc/73/03/91/422730391.db2.gz PIVLRUBNBYYWHS-TUAOUCFPSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629563312 422730396 /nfs/dbraw/zinc/73/03/96/422730396.db2.gz PIVLRUBNBYYWHS-TUAOUCFPSA-N 2 2 305.344 1.232 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[NH2+]1 ZINC000662786364 424767489 /nfs/dbraw/zinc/76/74/89/424767489.db2.gz SMCOXTBZOSOJLG-SFHVURJKSA-N 2 2 314.433 1.424 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCn3cncn3)CC2)cc1 ZINC000376177946 268065007 /nfs/dbraw/zinc/06/50/07/268065007.db2.gz MQHFUXANICMJMQ-UHFFFAOYSA-N 2 2 310.405 1.404 20 30 DDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000077249903 279257454 /nfs/dbraw/zinc/25/74/54/279257454.db2.gz PWZUIQPUQRZRRP-UHFFFAOYSA-N 2 2 306.454 1.745 20 30 DDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000077249903 279257458 /nfs/dbraw/zinc/25/74/58/279257458.db2.gz PWZUIQPUQRZRRP-UHFFFAOYSA-N 2 2 306.454 1.745 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329284880 295381317 /nfs/dbraw/zinc/38/13/17/295381317.db2.gz GFNFMFBDWMUTRZ-CHWSQXEVSA-N 2 2 303.410 1.740 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329284880 295381319 /nfs/dbraw/zinc/38/13/19/295381319.db2.gz GFNFMFBDWMUTRZ-CHWSQXEVSA-N 2 2 303.410 1.740 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000081096875 341279517 /nfs/dbraw/zinc/27/95/17/341279517.db2.gz NFSKZYLNSSRMII-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000081096875 341279518 /nfs/dbraw/zinc/27/95/18/341279518.db2.gz NFSKZYLNSSRMII-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000081096875 341279519 /nfs/dbraw/zinc/27/95/19/341279519.db2.gz NFSKZYLNSSRMII-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000081096875 341279520 /nfs/dbraw/zinc/27/95/20/341279520.db2.gz NFSKZYLNSSRMII-VYDXJSESSA-N 2 2 308.470 1.703 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329639460 534763330 /nfs/dbraw/zinc/76/33/30/534763330.db2.gz WPYQOEWFNUNGIY-GFCCVEGCSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329639460 534763338 /nfs/dbraw/zinc/76/33/38/534763338.db2.gz WPYQOEWFNUNGIY-GFCCVEGCSA-N 2 2 314.393 1.784 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000491753681 526982454 /nfs/dbraw/zinc/98/24/54/526982454.db2.gz PAYSHTQSUSNFNJ-KRWDZBQOSA-N 2 2 301.434 1.799 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501441 527834659 /nfs/dbraw/zinc/83/46/59/527834659.db2.gz HUWCPTKBTKLJSF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501441 527834662 /nfs/dbraw/zinc/83/46/62/527834662.db2.gz HUWCPTKBTKLJSF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501441 527834666 /nfs/dbraw/zinc/83/46/66/527834666.db2.gz HUWCPTKBTKLJSF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501441 527834667 /nfs/dbraw/zinc/83/46/67/527834667.db2.gz HUWCPTKBTKLJSF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332002676 528854896 /nfs/dbraw/zinc/85/48/96/528854896.db2.gz ORKSLKOAWMCIRS-BFYDXBDKSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332002676 528854899 /nfs/dbraw/zinc/85/48/99/528854899.db2.gz ORKSLKOAWMCIRS-BFYDXBDKSA-N 2 2 308.470 1.845 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268709 695197707 /nfs/dbraw/zinc/19/77/07/695197707.db2.gz ZGRHKKWRDHVDTB-ZIAGYGMSSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268709 695197708 /nfs/dbraw/zinc/19/77/08/695197708.db2.gz ZGRHKKWRDHVDTB-ZIAGYGMSSA-N 2 2 301.862 1.858 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956404 695766265 /nfs/dbraw/zinc/76/62/65/695766265.db2.gz PEPCZDCXOSEJOC-GDBMZVCRSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956404 695766267 /nfs/dbraw/zinc/76/62/67/695766267.db2.gz PEPCZDCXOSEJOC-GDBMZVCRSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629797 696849391 /nfs/dbraw/zinc/84/93/91/696849391.db2.gz PETLVLKQFCCSFX-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629797 696849393 /nfs/dbraw/zinc/84/93/93/696849393.db2.gz PETLVLKQFCCSFX-UHFFFAOYSA-N 2 2 314.433 1.320 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924475 696970586 /nfs/dbraw/zinc/97/05/86/696970586.db2.gz PAQGMPKEGRUKHD-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924475 696970588 /nfs/dbraw/zinc/97/05/88/696970588.db2.gz PAQGMPKEGRUKHD-UHFFFAOYSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482689 697107878 /nfs/dbraw/zinc/10/78/78/697107878.db2.gz ADPKIZCCQOEGSF-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981482689 697107881 /nfs/dbraw/zinc/10/78/81/697107881.db2.gz ADPKIZCCQOEGSF-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260012 698063421 /nfs/dbraw/zinc/06/34/21/698063421.db2.gz LEYLYHRJPBTZEJ-XJKSGUPXSA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629094 699050910 /nfs/dbraw/zinc/05/09/10/699050910.db2.gz MIQMLLYLOOZELM-ZIAGYGMSSA-N 2 2 303.410 1.360 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629094 699050914 /nfs/dbraw/zinc/05/09/14/699050914.db2.gz MIQMLLYLOOZELM-ZIAGYGMSSA-N 2 2 303.410 1.360 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468472 699330990 /nfs/dbraw/zinc/33/09/90/699330990.db2.gz CDPPHXLMNZBMRD-QGPMSJSTSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468472 699330994 /nfs/dbraw/zinc/33/09/94/699330994.db2.gz CDPPHXLMNZBMRD-QGPMSJSTSA-N 2 2 314.433 1.745 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000730067562 699498659 /nfs/dbraw/zinc/49/86/59/699498659.db2.gz STGRLQIERKZGJQ-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000730067562 699498660 /nfs/dbraw/zinc/49/86/60/699498660.db2.gz STGRLQIERKZGJQ-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)CNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741875919 699855453 /nfs/dbraw/zinc/85/54/53/699855453.db2.gz MYUYHGPPAGBQSF-UHFFFAOYSA-N 2 2 324.538 1.977 20 30 DDEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000819067092 704064610 /nfs/dbraw/zinc/06/46/10/704064610.db2.gz JXCHYJLDCNUIJI-IRXDYDNUSA-N 2 2 317.433 1.912 20 30 DDEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000819067092 704064612 /nfs/dbraw/zinc/06/46/12/704064612.db2.gz JXCHYJLDCNUIJI-IRXDYDNUSA-N 2 2 317.433 1.912 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000884207601 708190183 /nfs/dbraw/zinc/19/01/83/708190183.db2.gz AENLMYZFZUUSMZ-HNNXBMFYSA-N 2 2 319.405 1.176 20 30 DDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902775749 710897973 /nfs/dbraw/zinc/89/79/73/710897973.db2.gz ARQHVQFSLKCKNV-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923412112 714347230 /nfs/dbraw/zinc/34/72/30/714347230.db2.gz PDESFQURWUFOCB-HZPDHXFCSA-N 2 2 303.406 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923412112 714347232 /nfs/dbraw/zinc/34/72/32/714347232.db2.gz PDESFQURWUFOCB-HZPDHXFCSA-N 2 2 303.406 1.501 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000960313286 716487497 /nfs/dbraw/zinc/48/74/97/716487497.db2.gz CTHPMFVCZMLONZ-CRAIPNDOSA-N 2 2 310.401 1.900 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942533177 717725356 /nfs/dbraw/zinc/72/53/56/717725356.db2.gz WSUUMZZHAVUGNE-YJBOKZPZSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942533177 717725360 /nfs/dbraw/zinc/72/53/60/717725360.db2.gz WSUUMZZHAVUGNE-YJBOKZPZSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000963581917 717836684 /nfs/dbraw/zinc/83/66/84/717836684.db2.gz MLMCGAVZBMCKAR-FHERZECASA-N 2 2 314.433 1.438 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907892 718706253 /nfs/dbraw/zinc/70/62/53/718706253.db2.gz HTGQCAHSXIHQMS-HIFRSBDPSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966907892 718706257 /nfs/dbraw/zinc/70/62/57/718706257.db2.gz HTGQCAHSXIHQMS-HIFRSBDPSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442247 719165010 /nfs/dbraw/zinc/16/50/10/719165010.db2.gz SAMAAYGNGMNHJO-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947442247 719165014 /nfs/dbraw/zinc/16/50/14/719165014.db2.gz SAMAAYGNGMNHJO-HZPDHXFCSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570092 719554445 /nfs/dbraw/zinc/55/44/45/719554445.db2.gz HGWQENQVYAPSER-AWEZNQCLSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570092 719554449 /nfs/dbraw/zinc/55/44/49/719554449.db2.gz HGWQENQVYAPSER-AWEZNQCLSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949253702 719976799 /nfs/dbraw/zinc/97/67/99/719976799.db2.gz KLXAUXLIEDEDMJ-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@H](C)F)C1 ZINC000950533727 720672706 /nfs/dbraw/zinc/67/27/06/720672706.db2.gz JHMXMKFSKQKUIL-HOCLYGCPSA-N 2 2 309.429 1.365 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@H](C)F)C1 ZINC000950533727 720672709 /nfs/dbraw/zinc/67/27/09/720672709.db2.gz JHMXMKFSKQKUIL-HOCLYGCPSA-N 2 2 309.429 1.365 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000950663736 720725758 /nfs/dbraw/zinc/72/57/58/720725758.db2.gz XHLFVGPZVCYGBW-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585885 735328280 /nfs/dbraw/zinc/32/82/80/735328280.db2.gz OOXUMRSGIRKPFA-UONOGXRCSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585885 735328282 /nfs/dbraw/zinc/32/82/82/735328282.db2.gz OOXUMRSGIRKPFA-UONOGXRCSA-N 2 2 300.406 1.291 20 30 DDEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021127683 732956884 /nfs/dbraw/zinc/95/68/84/732956884.db2.gz TVGOTWKNFIWJCY-XYPYZODXSA-N 2 2 313.199 1.029 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645490 733398409 /nfs/dbraw/zinc/39/84/09/733398409.db2.gz LXZORPDOCPVPEV-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645490 733398411 /nfs/dbraw/zinc/39/84/11/733398411.db2.gz LXZORPDOCPVPEV-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753745 733514811 /nfs/dbraw/zinc/51/48/11/733514811.db2.gz IGBDSSOYHTYOFF-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753745 733514815 /nfs/dbraw/zinc/51/48/15/733514815.db2.gz IGBDSSOYHTYOFF-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345613 733595753 /nfs/dbraw/zinc/59/57/53/733595753.db2.gz KLIOZJDXNYYJAI-HUUCEWRRSA-N 2 2 315.417 1.340 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307364 736014295 /nfs/dbraw/zinc/01/42/95/736014295.db2.gz YTCJPSQEMGHEEN-BMFZPTHFSA-N 2 2 302.422 1.743 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087307364 736014298 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304.438 1.993 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]12 ZINC001026296032 737314040 /nfs/dbraw/zinc/31/40/40/737314040.db2.gz QUZZXLSAVUJFOS-IVMMDQJWSA-N 2 2 308.385 1.636 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]12 ZINC001026401410 737485166 /nfs/dbraw/zinc/48/51/66/737485166.db2.gz WMPVDSJSIJEBSG-VNQPRFMTSA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027979760 738901194 /nfs/dbraw/zinc/90/11/94/738901194.db2.gz ABXOOSRZXWZUSU-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592762 751470747 /nfs/dbraw/zinc/47/07/47/751470747.db2.gz UBFHKFBATMZRRH-GJZGRUSLSA-N 2 2 301.390 1.263 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592762 751470750 /nfs/dbraw/zinc/47/07/50/751470750.db2.gz UBFHKFBATMZRRH-GJZGRUSLSA-N 2 2 301.390 1.263 20 30 DDEDLP 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C=CC[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000997355888 750795997 /nfs/dbraw/zinc/79/59/97/750795997.db2.gz DKKVSRWELAKOES-UHFFFAOYSA-N 2 2 319.474 1.873 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001032469335 750945693 /nfs/dbraw/zinc/94/56/93/750945693.db2.gz GYTXGLJCIGCKHU-GJZGRUSLSA-N 2 2 302.422 1.788 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001032469335 750945695 /nfs/dbraw/zinc/94/56/95/750945695.db2.gz GYTXGLJCIGCKHU-GJZGRUSLSA-N 2 2 302.422 1.788 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035239299 751322206 /nfs/dbraw/zinc/32/22/06/751322206.db2.gz OMXRLGYXNYZALQ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035239299 751322208 /nfs/dbraw/zinc/32/22/08/751322208.db2.gz OMXRLGYXNYZALQ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001036273225 752320177 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ZINC001121613828 782592646 /nfs/dbraw/zinc/59/26/46/782592646.db2.gz GJYGOMZHEYVPBH-UHFFFAOYSA-N 2 2 318.469 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434887 767561111 /nfs/dbraw/zinc/56/11/11/767561111.db2.gz TWEGJARLGNOVND-SUMWQHHRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434887 767561114 /nfs/dbraw/zinc/56/11/14/767561114.db2.gz TWEGJARLGNOVND-SUMWQHHRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434887 767561118 /nfs/dbraw/zinc/56/11/18/767561118.db2.gz TWEGJARLGNOVND-SUMWQHHRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434887 767561123 /nfs/dbraw/zinc/56/11/23/767561123.db2.gz TWEGJARLGNOVND-SUMWQHHRSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132998879 769392248 /nfs/dbraw/zinc/39/22/48/769392248.db2.gz SXMSRPBKAOGKKH-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133269808 769655213 /nfs/dbraw/zinc/65/52/13/769655213.db2.gz FBHXSZIQVMJDJG-ZFWWWQNUSA-N 2 2 304.438 1.911 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067935 770319227 /nfs/dbraw/zinc/31/92/27/770319227.db2.gz FMHSUHMZIXLDLR-QKPAOTATSA-N 2 2 314.433 1.490 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067935 770319239 /nfs/dbraw/zinc/31/92/39/770319239.db2.gz FMHSUHMZIXLDLR-QKPAOTATSA-N 2 2 314.433 1.490 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999037 770411272 /nfs/dbraw/zinc/41/12/72/770411272.db2.gz MDQDQZUUGJFMST-UONOGXRCSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999037 770411275 /nfs/dbraw/zinc/41/12/75/770411275.db2.gz MDQDQZUUGJFMST-UONOGXRCSA-N 2 2 300.406 1.364 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190024 770523044 /nfs/dbraw/zinc/52/30/44/770523044.db2.gz FHJOODXMLVWDPX-GASCZTMLSA-N 2 2 302.422 1.617 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190024 770523047 /nfs/dbraw/zinc/52/30/47/770523047.db2.gz FHJOODXMLVWDPX-GASCZTMLSA-N 2 2 302.422 1.617 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC ZINC001049528243 770980900 /nfs/dbraw/zinc/98/09/00/770980900.db2.gz CRIYKUZADPHEKM-SQNIBIBYSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049528243 770980909 /nfs/dbraw/zinc/98/09/09/770980909.db2.gz CRIYKUZADPHEKM-SQNIBIBYSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC ZINC001049528243 770980918 /nfs/dbraw/zinc/98/09/18/770980918.db2.gz CRIYKUZADPHEKM-SQNIBIBYSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC ZINC001049528243 770980928 /nfs/dbraw/zinc/98/09/28/770980928.db2.gz CRIYKUZADPHEKM-SQNIBIBYSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001049529547 770981897 /nfs/dbraw/zinc/98/18/97/770981897.db2.gz OSACOJOVXZMWJB-KURKYZTESA-N 2 2 313.445 1.173 20 30 DDEDLP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001049529547 770981904 /nfs/dbraw/zinc/98/19/04/770981904.db2.gz OSACOJOVXZMWJB-KURKYZTESA-N 2 2 313.445 1.173 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001049529547 770981911 /nfs/dbraw/zinc/98/19/11/770981911.db2.gz OSACOJOVXZMWJB-KURKYZTESA-N 2 2 313.445 1.173 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001049529547 770981920 /nfs/dbraw/zinc/98/19/20/770981920.db2.gz OSACOJOVXZMWJB-KURKYZTESA-N 2 2 313.445 1.173 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086253 773940439 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IHKXVEPZXNOMIH-HZPDHXFCSA-N 2 2 314.433 1.483 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934344 776724301 /nfs/dbraw/zinc/72/43/01/776724301.db2.gz MRXFLQGAZGWEBS-UHFFFAOYSA-N 2 2 320.437 1.040 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638285 777852538 /nfs/dbraw/zinc/85/25/38/777852538.db2.gz NTKHACMPDOPXMB-CABCVRRESA-N 2 2 304.438 1.876 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638285 777852549 /nfs/dbraw/zinc/85/25/49/777852549.db2.gz NTKHACMPDOPXMB-CABCVRRESA-N 2 2 304.438 1.876 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513270 778179909 /nfs/dbraw/zinc/17/99/09/778179909.db2.gz CGERQACAMMSUFW-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513270 778179911 /nfs/dbraw/zinc/17/99/11/778179911.db2.gz CGERQACAMMSUFW-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177080298 778431495 /nfs/dbraw/zinc/43/14/95/778431495.db2.gz KWRGELHSDCVYGZ-HOTGVXAUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177080298 778431499 /nfs/dbraw/zinc/43/14/99/778431499.db2.gz KWRGELHSDCVYGZ-HOTGVXAUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124415 778437854 /nfs/dbraw/zinc/43/78/54/778437854.db2.gz JUKXXFUTJJWONY-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124415 778437858 /nfs/dbraw/zinc/43/78/58/778437858.db2.gz JUKXXFUTJJWONY-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124415 778437861 /nfs/dbraw/zinc/43/78/61/778437861.db2.gz JUKXXFUTJJWONY-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124415 778437864 /nfs/dbraw/zinc/43/78/64/778437864.db2.gz JUKXXFUTJJWONY-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103104988 778642007 /nfs/dbraw/zinc/64/20/07/778642007.db2.gz AFUFNWSMNKTTAM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103104988 778642011 /nfs/dbraw/zinc/64/20/11/778642011.db2.gz AFUFNWSMNKTTAM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103104988 778642015 /nfs/dbraw/zinc/64/20/15/778642015.db2.gz AFUFNWSMNKTTAM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103104988 778642019 /nfs/dbraw/zinc/64/20/19/778642019.db2.gz AFUFNWSMNKTTAM-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179787513 779486911 /nfs/dbraw/zinc/48/69/11/779486911.db2.gz JLOLXTVZQUTPBZ-RDJZCZTQSA-N 2 2 322.412 1.583 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001180331079 779733109 /nfs/dbraw/zinc/73/31/09/779733109.db2.gz AAIYPNUWUYBPAE-KRWDZBQOSA-N 2 2 323.481 1.549 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001266497975 836350187 /nfs/dbraw/zinc/35/01/87/836350187.db2.gz OJBWWPPXJAHSHA-SFHVURJKSA-N 2 2 322.412 1.515 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001266497975 836350194 /nfs/dbraw/zinc/35/01/94/836350194.db2.gz OJBWWPPXJAHSHA-SFHVURJKSA-N 2 2 322.412 1.515 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047347 837248325 /nfs/dbraw/zinc/24/83/25/837248325.db2.gz KCPCFCDXYGMIES-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001268114459 839706179 /nfs/dbraw/zinc/70/61/79/839706179.db2.gz QSYIOWMPCVOPEA-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268316472 839991118 /nfs/dbraw/zinc/99/11/18/839991118.db2.gz SVLQZHBUPBTOGF-GXTWGEPZSA-N 2 2 316.405 1.598 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001269180500 841305079 /nfs/dbraw/zinc/30/50/79/841305079.db2.gz DQFDOUZPXYOIJS-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP CCC[N@H+](C)CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001269632671 841877314 /nfs/dbraw/zinc/87/73/14/841877314.db2.gz JHMIXHDAPXGEFO-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001269632671 841877327 /nfs/dbraw/zinc/87/73/27/841877327.db2.gz JHMIXHDAPXGEFO-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269632671 841877334 /nfs/dbraw/zinc/87/73/34/841877334.db2.gz JHMIXHDAPXGEFO-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269632671 841877341 /nfs/dbraw/zinc/87/73/41/841877341.db2.gz JHMIXHDAPXGEFO-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001269741054 841993784 /nfs/dbraw/zinc/99/37/84/841993784.db2.gz KZSZZYRECYSZAH-ARFHVFGLSA-N 2 2 314.433 1.755 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001269741054 841993790 /nfs/dbraw/zinc/99/37/90/841993790.db2.gz KZSZZYRECYSZAH-ARFHVFGLSA-N 2 2 314.433 1.755 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001270084110 842280078 /nfs/dbraw/zinc/28/00/78/842280078.db2.gz VPKCTYNVWLSMRD-ZBFHGGJFSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744859 842867356 /nfs/dbraw/zinc/86/73/56/842867356.db2.gz PQQKDLMFMXPRKI-QAPCUYQASA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001271200866 843409331 /nfs/dbraw/zinc/40/93/31/843409331.db2.gz LHIMTKHWMKVEQW-NVXWUHKLSA-N 2 2 320.437 1.353 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001271200866 843409337 /nfs/dbraw/zinc/40/93/37/843409337.db2.gz LHIMTKHWMKVEQW-NVXWUHKLSA-N 2 2 320.437 1.353 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001271558434 843696012 /nfs/dbraw/zinc/69/60/12/843696012.db2.gz NGWHMFYDDJPVDU-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001326875827 861679642 /nfs/dbraw/zinc/67/96/42/861679642.db2.gz RBMWENNESWPQMB-INIZCTEOSA-N 2 2 321.465 1.444 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001326875827 861679646 /nfs/dbraw/zinc/67/96/46/861679646.db2.gz RBMWENNESWPQMB-INIZCTEOSA-N 2 2 321.465 1.444 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001409931544 846821846 /nfs/dbraw/zinc/82/18/46/846821846.db2.gz TYXNKGMYWAOOHU-TZMCWYRMSA-N 2 2 319.852 1.855 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000997063735 847252983 /nfs/dbraw/zinc/25/29/83/847252983.db2.gz NSAHZSFEZXBQIJ-UHFFFAOYSA-N 2 2 321.465 1.398 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371963 862199231 /nfs/dbraw/zinc/19/92/31/862199231.db2.gz NNGXDJVWGLHMEU-HOCLYGCPSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371963 862199242 /nfs/dbraw/zinc/19/92/42/862199242.db2.gz NNGXDJVWGLHMEU-HOCLYGCPSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274217796 852045253 /nfs/dbraw/zinc/04/52/53/852045253.db2.gz IAHPYVFVCXBJEA-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598356 862348281 /nfs/dbraw/zinc/34/82/81/862348281.db2.gz ZUHISTOVTGWNKO-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598356 862348296 /nfs/dbraw/zinc/34/82/96/862348296.db2.gz ZUHISTOVTGWNKO-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072848852 857794899 /nfs/dbraw/zinc/79/48/99/857794899.db2.gz MGBMSPSNRPFPHP-UHFFFAOYSA-N 2 2 300.406 1.094 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001072848852 857794905 /nfs/dbraw/zinc/79/49/05/857794905.db2.gz MGBMSPSNRPFPHP-UHFFFAOYSA-N 2 2 300.406 1.094 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972378 857953851 /nfs/dbraw/zinc/95/38/51/857953851.db2.gz XSCFYXXIKQTGNS-AWEZNQCLSA-N 2 2 312.417 1.387 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001072972378 857953857 /nfs/dbraw/zinc/95/38/57/857953857.db2.gz XSCFYXXIKQTGNS-AWEZNQCLSA-N 2 2 312.417 1.387 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001328632517 863121046 /nfs/dbraw/zinc/12/10/46/863121046.db2.gz WLYSYNFHUIQZHG-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732226 863179083 /nfs/dbraw/zinc/17/90/83/863179083.db2.gz CPNWLGVTWLSIPW-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328732226 863179091 /nfs/dbraw/zinc/17/90/91/863179091.db2.gz CPNWLGVTWLSIPW-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676810 863254590 /nfs/dbraw/zinc/25/45/90/863254590.db2.gz HFDZACVWAOBGRK-OAHLLOKOSA-N 2 2 322.453 1.382 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676810 863254609 /nfs/dbraw/zinc/25/46/09/863254609.db2.gz HFDZACVWAOBGRK-OAHLLOKOSA-N 2 2 322.453 1.382 20 30 DDEDLP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001329761617 863834792 /nfs/dbraw/zinc/83/47/92/863834792.db2.gz NBDZAUJILSRCDU-BZUAXINKSA-N 2 2 316.449 1.620 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225304635 881769803 /nfs/dbraw/zinc/76/98/03/881769803.db2.gz KGGJMQAYXYRCBK-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001332145792 865611855 /nfs/dbraw/zinc/61/18/55/865611855.db2.gz KQGGZMIOUPZFAK-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320471473 866763029 /nfs/dbraw/zinc/76/30/29/866763029.db2.gz XLSKCTYHBDAIRC-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325464552 868054627 /nfs/dbraw/zinc/05/46/27/868054627.db2.gz AUVRSJZNWORGKM-CABCVRRESA-N 2 2 304.438 1.755 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445561 868304751 /nfs/dbraw/zinc/30/47/51/868304751.db2.gz TVABCKPHMGNQRJ-CQSZACIVSA-N 2 2 300.406 1.818 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445561 868304765 /nfs/dbraw/zinc/30/47/65/868304765.db2.gz TVABCKPHMGNQRJ-CQSZACIVSA-N 2 2 300.406 1.818 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718966 869690939 /nfs/dbraw/zinc/69/09/39/869690939.db2.gz VMWWQHYYZUKOKF-UHFFFAOYSA-N 2 2 316.449 1.826 20 30 DDEDLP C=CC[NH2+]CCc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001317369174 870718038 /nfs/dbraw/zinc/71/80/38/870718038.db2.gz WCIAXCODFYXGCQ-UHFFFAOYSA-N 2 2 312.417 1.597 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001340076617 870878668 /nfs/dbraw/zinc/87/86/68/870878668.db2.gz IGZDAFFWEBOLQC-AWEZNQCLSA-N 2 2 301.390 1.241 20 30 DDEDLP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317482224 870898244 /nfs/dbraw/zinc/89/82/44/870898244.db2.gz POJALRRHBQRJMU-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317482224 870898254 /nfs/dbraw/zinc/89/82/54/870898254.db2.gz POJALRRHBQRJMU-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761025 871474562 /nfs/dbraw/zinc/47/45/62/871474562.db2.gz COVQGWFOQDEEBF-INIZCTEOSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761025 871474578 /nfs/dbraw/zinc/47/45/78/871474578.db2.gz COVQGWFOQDEEBF-INIZCTEOSA-N 2 2 316.449 1.689 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487579 871581328 /nfs/dbraw/zinc/58/13/28/871581328.db2.gz IICIIURNMZNROQ-HUUCEWRRSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487579 871581336 /nfs/dbraw/zinc/58/13/36/871581336.db2.gz IICIIURNMZNROQ-HUUCEWRRSA-N 2 2 300.406 1.365 20 30 DDEDLP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001318543486 872141857 /nfs/dbraw/zinc/14/18/57/872141857.db2.gz XREHYMJBQHBTIX-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001319322593 872573369 /nfs/dbraw/zinc/57/33/69/872573369.db2.gz NFBYJGXRZUDEOZ-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001319322593 872573380 /nfs/dbraw/zinc/57/33/80/872573380.db2.gz NFBYJGXRZUDEOZ-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451173 874154779 /nfs/dbraw/zinc/15/47/79/874154779.db2.gz SIDROZIQCBYIPT-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451173 874154785 /nfs/dbraw/zinc/15/47/85/874154785.db2.gz SIDROZIQCBYIPT-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208721517 874418653 /nfs/dbraw/zinc/41/86/53/874418653.db2.gz COJSWZBSSZNRKO-KLHDSHLOSA-N 2 2 316.449 1.926 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208721517 874418655 /nfs/dbraw/zinc/41/86/55/874418655.db2.gz COJSWZBSSZNRKO-KLHDSHLOSA-N 2 2 316.449 1.926 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213243798 875859114 /nfs/dbraw/zinc/85/91/14/875859114.db2.gz JTLYHWQZYBXYMX-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213243798 875859117 /nfs/dbraw/zinc/85/91/17/875859117.db2.gz JTLYHWQZYBXYMX-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC001353324504 877255355 /nfs/dbraw/zinc/25/53/55/877255355.db2.gz POFJBTMEBHRZLI-UHFFFAOYSA-N 2 2 303.381 1.842 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224297962 881313284 /nfs/dbraw/zinc/31/32/84/881313284.db2.gz JKCSFYRQUWNYFP-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224297962 881313300 /nfs/dbraw/zinc/31/33/00/881313300.db2.gz JKCSFYRQUWNYFP-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230124648 884338198 /nfs/dbraw/zinc/33/81/98/884338198.db2.gz JQKRKJMMCRGDED-UHFFFAOYSA-N 2 2 306.410 1.044 20 30 DDEDLP N#Cc1ccc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001232678984 886531551 /nfs/dbraw/zinc/53/15/51/886531551.db2.gz WZVDBEKYEQZZOP-UHFFFAOYSA-N 2 2 314.433 1.477 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)s2)CCC1=O ZINC001232845937 886633046 /nfs/dbraw/zinc/63/30/46/886633046.db2.gz YUKFREYMISCYPG-UHFFFAOYSA-N 2 2 306.435 1.216 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)s2)CCC1=O ZINC001232845937 886633058 /nfs/dbraw/zinc/63/30/58/886633058.db2.gz YUKFREYMISCYPG-UHFFFAOYSA-N 2 2 306.435 1.216 20 30 DDEDLP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001374559357 913286401 /nfs/dbraw/zinc/28/64/01/913286401.db2.gz GUSSLRQDCYNLON-UHFFFAOYSA-N 2 2 311.389 1.345 20 30 DDEDLP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001374559357 913286421 /nfs/dbraw/zinc/28/64/21/913286421.db2.gz GUSSLRQDCYNLON-UHFFFAOYSA-N 2 2 311.389 1.345 20 30 DDEDLP COc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278285366 890373088 /nfs/dbraw/zinc/37/30/88/890373088.db2.gz AWZKNAFEXAKFRL-UHFFFAOYSA-N 2 2 314.433 1.246 20 30 DDEDLP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CC[NH2+]1 ZINC001246596831 892722891 /nfs/dbraw/zinc/72/28/91/892722891.db2.gz YUZJTZKKDCPMJS-UXLLHSPISA-N 2 2 302.397 1.725 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001278466809 892913393 /nfs/dbraw/zinc/91/33/93/892913393.db2.gz LEPBWDJIZHLDKS-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001278466809 892913406 /nfs/dbraw/zinc/91/34/06/892913406.db2.gz LEPBWDJIZHLDKS-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001278572258 894300369 /nfs/dbraw/zinc/30/03/69/894300369.db2.gz MIDVPMZWJRJLTK-QGZVFWFLSA-N 2 2 302.422 1.539 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595577 895299919 /nfs/dbraw/zinc/29/99/19/895299919.db2.gz IYBSUIUNPMJWKD-FGTMMUONSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595577 895299935 /nfs/dbraw/zinc/29/99/35/895299935.db2.gz IYBSUIUNPMJWKD-FGTMMUONSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595577 895299947 /nfs/dbraw/zinc/29/99/47/895299947.db2.gz IYBSUIUNPMJWKD-FGTMMUONSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595577 895299958 /nfs/dbraw/zinc/29/99/58/895299958.db2.gz IYBSUIUNPMJWKD-FGTMMUONSA-N 2 2 318.465 1.501 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001265813417 902431737 /nfs/dbraw/zinc/43/17/37/902431737.db2.gz QMCIMOUIXUJKDL-GDBMZVCRSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001265813417 902431743 /nfs/dbraw/zinc/43/17/43/902431743.db2.gz QMCIMOUIXUJKDL-GDBMZVCRSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[N@H+](C)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265850732 902489672 /nfs/dbraw/zinc/48/96/72/902489672.db2.gz BGKZWBDHNNVWGA-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=C(C)C[N@@H+](C)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265850732 902489682 /nfs/dbraw/zinc/48/96/82/902489682.db2.gz BGKZWBDHNNVWGA-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265914563 902587568 /nfs/dbraw/zinc/58/75/68/902587568.db2.gz RMJIZPLMZFOUOC-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989913 902718801 /nfs/dbraw/zinc/71/88/01/902718801.db2.gz KGGQDAASLSADQU-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001370196265 902720059 /nfs/dbraw/zinc/72/00/59/902720059.db2.gz FGXLXOGQLIABDL-UONOGXRCSA-N 2 2 322.840 1.682 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105259 902950053 /nfs/dbraw/zinc/95/00/53/902950053.db2.gz KKJAXYNHVAHMKR-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105259 902950069 /nfs/dbraw/zinc/95/00/69/902950069.db2.gz KKJAXYNHVAHMKR-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001392195078 903497333 /nfs/dbraw/zinc/49/73/33/903497333.db2.gz KVIOOZGMGGMPBY-SMDDNHRTSA-N 2 2 310.829 1.921 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001281742392 905191048 /nfs/dbraw/zinc/19/10/48/905191048.db2.gz DBVXZHZOXMNHMW-RDJZCZTQSA-N 2 2 321.465 1.138 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001281742392 905191063 /nfs/dbraw/zinc/19/10/63/905191063.db2.gz DBVXZHZOXMNHMW-RDJZCZTQSA-N 2 2 321.465 1.138 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001393391860 906866401 /nfs/dbraw/zinc/86/64/01/906866401.db2.gz CPFWSOIDVWIZCG-GWCFXTLKSA-N 2 2 310.829 1.697 20 30 DDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375437849 915923566 /nfs/dbraw/zinc/92/35/66/915923566.db2.gz LFZMNXFSHMWAIB-LBPRGKRZSA-N 2 2 308.813 1.436 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)cc1 ZINC001376247371 918062422 /nfs/dbraw/zinc/06/24/22/918062422.db2.gz CSPRDTLTUAAKBP-INIZCTEOSA-N 2 2 323.400 1.508 20 30 DDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001376833355 919527164 /nfs/dbraw/zinc/52/71/64/919527164.db2.gz ISCZTGKLTDEHAS-NSHDSACASA-N 2 2 315.352 1.257 20 30 DDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329816512 539308044 /nfs/dbraw/zinc/30/80/44/539308044.db2.gz FMDHMVYEULXSHJ-KGLIPLIRSA-N 2 2 305.426 1.733 20 30 DDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329816512 539308047 /nfs/dbraw/zinc/30/80/47/539308047.db2.gz FMDHMVYEULXSHJ-KGLIPLIRSA-N 2 2 305.426 1.733 20 30 DDEDLP COc1ccc(C#N)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184169 355527832 /nfs/dbraw/zinc/52/78/32/355527832.db2.gz FFZRBGZNFZYMLE-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP COc1ccc(C#N)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184169 355527836 /nfs/dbraw/zinc/52/78/36/355527836.db2.gz FFZRBGZNFZYMLE-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP C=C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000594722482 356297221 /nfs/dbraw/zinc/29/72/21/356297221.db2.gz QUTNMVDOMNMQLC-MRXNPFEDSA-N 2 2 303.406 1.611 20 30 DDEDLP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C#N)c[nH+]1 ZINC000596425531 356874896 /nfs/dbraw/zinc/87/48/96/356874896.db2.gz ZTRGLCCAFNWNFI-SFHVURJKSA-N 2 2 322.412 1.862 20 30 DDEDLP Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C#N)c[nH+]1 ZINC000596425531 356874900 /nfs/dbraw/zinc/87/49/00/356874900.db2.gz ZTRGLCCAFNWNFI-SFHVURJKSA-N 2 2 322.412 1.862 20 30 DDEDLP Cc1csc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596903253 357011654 /nfs/dbraw/zinc/01/16/54/357011654.db2.gz JGIKPAKSPIXSLN-UHFFFAOYSA-N 2 2 323.466 1.933 20 30 DDEDLP Cc1csc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596903253 357011656 /nfs/dbraw/zinc/01/16/56/357011656.db2.gz JGIKPAKSPIXSLN-UHFFFAOYSA-N 2 2 323.466 1.933 20 30 DDEDLP Cn1cc(C[N@H+](C)CC2C[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000597207166 357092499 /nfs/dbraw/zinc/09/24/99/357092499.db2.gz SKANXEAWIYVWBX-UHFFFAOYSA-N 2 2 309.417 1.952 20 30 DDEDLP Cn1cc(C[N@@H+](C)CC2C[NH+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000597207166 357092504 /nfs/dbraw/zinc/09/25/04/357092504.db2.gz SKANXEAWIYVWBX-UHFFFAOYSA-N 2 2 309.417 1.952 20 30 DDEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599429129 357931853 /nfs/dbraw/zinc/93/18/53/357931853.db2.gz GVTXOOWSZRCHLM-UHFFFAOYSA-N 2 2 301.375 1.730 20 30 DDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599429129 357931855 /nfs/dbraw/zinc/93/18/55/357931855.db2.gz GVTXOOWSZRCHLM-UHFFFAOYSA-N 2 2 301.375 1.730 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCOCC1 ZINC000600724698 358297017 /nfs/dbraw/zinc/29/70/17/358297017.db2.gz ZECBEGZSHCHKEZ-HOTGVXAUSA-N 2 2 307.438 1.132 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000600724698 358297020 /nfs/dbraw/zinc/29/70/20/358297020.db2.gz ZECBEGZSHCHKEZ-HOTGVXAUSA-N 2 2 307.438 1.132 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000602891421 359274738 /nfs/dbraw/zinc/27/47/38/359274738.db2.gz MUPFHBXHLKFVGV-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000602891421 359274741 /nfs/dbraw/zinc/27/47/41/359274741.db2.gz MUPFHBXHLKFVGV-QGZVFWFLSA-N 2 2 303.406 1.326 20 30 DDEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264989229 204328117 /nfs/dbraw/zinc/32/81/17/204328117.db2.gz WQVZPMMRLADADA-QGZVFWFLSA-N 2 2 301.434 1.424 20 30 DDEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264989229 204328119 /nfs/dbraw/zinc/32/81/19/204328119.db2.gz WQVZPMMRLADADA-QGZVFWFLSA-N 2 2 301.434 1.424 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000101600761 248242963 /nfs/dbraw/zinc/24/29/63/248242963.db2.gz BXCHXHOFGRKIRN-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000101600761 248242971 /nfs/dbraw/zinc/24/29/71/248242971.db2.gz BXCHXHOFGRKIRN-KRWDZBQOSA-N 2 2 314.433 1.591 20 30 DDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000567678617 304233627 /nfs/dbraw/zinc/23/36/27/304233627.db2.gz XMRFMYBZJYSSDA-CKEIUWERSA-N 2 2 303.406 1.118 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000269199188 207318689 /nfs/dbraw/zinc/31/86/89/207318689.db2.gz XLWZDOGLHZIPTM-QGZVFWFLSA-N 2 2 323.400 1.882 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000269199188 207318695 /nfs/dbraw/zinc/31/86/95/207318695.db2.gz XLWZDOGLHZIPTM-QGZVFWFLSA-N 2 2 323.400 1.882 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000114506385 407587853 /nfs/dbraw/zinc/58/78/53/407587853.db2.gz TWFUCUIYIMFWGP-UHFFFAOYSA-N 2 2 316.449 1.038 20 30 DDEDLP C[NH+]=C(NCc1cc(C)no1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179224483 407757454 /nfs/dbraw/zinc/75/74/54/407757454.db2.gz RMGDZXWCEFWMCA-DOMZBBRYSA-N 2 2 316.409 1.838 20 30 DDEDLP CCCNC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277430142 408939820 /nfs/dbraw/zinc/93/98/20/408939820.db2.gz PVYAYVDXMHREOB-OAHLLOKOSA-N 2 2 306.479 1.918 20 30 DDEDLP CCCNC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277430142 408939822 /nfs/dbraw/zinc/93/98/22/408939822.db2.gz PVYAYVDXMHREOB-OAHLLOKOSA-N 2 2 306.479 1.918 20 30 DDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408077687 164220200 /nfs/dbraw/zinc/22/02/00/164220200.db2.gz AWVDPWLADDOZTC-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408077687 164220201 /nfs/dbraw/zinc/22/02/01/164220201.db2.gz AWVDPWLADDOZTC-CYBMUJFWSA-N 2 2 315.421 1.127 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296905264 409697087 /nfs/dbraw/zinc/69/70/87/409697087.db2.gz NHGDIFOVMPCYJK-CQSZACIVSA-N 2 2 317.437 1.468 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296905264 409697099 /nfs/dbraw/zinc/69/70/99/409697099.db2.gz NHGDIFOVMPCYJK-CQSZACIVSA-N 2 2 317.437 1.468 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329324066 410232164 /nfs/dbraw/zinc/23/21/64/410232164.db2.gz VKIGDLGETXKPSL-LBPRGKRZSA-N 2 2 303.410 1.460 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329324066 410232173 /nfs/dbraw/zinc/23/21/73/410232173.db2.gz VKIGDLGETXKPSL-LBPRGKRZSA-N 2 2 303.410 1.460 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330199357 410583473 /nfs/dbraw/zinc/58/34/73/410583473.db2.gz VHYWBTMVRBFVRN-QWHCGFSZSA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330199357 410583479 /nfs/dbraw/zinc/58/34/79/410583479.db2.gz VHYWBTMVRBFVRN-QWHCGFSZSA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199357 410583483 /nfs/dbraw/zinc/58/34/83/410583483.db2.gz VHYWBTMVRBFVRN-QWHCGFSZSA-N 2 2 303.410 1.186 20 30 DDEDLP [O-]C(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199357 410583488 /nfs/dbraw/zinc/58/34/88/410583488.db2.gz VHYWBTMVRBFVRN-QWHCGFSZSA-N 2 2 303.410 1.186 20 30 DDEDLP C#CC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374118544 418491130 /nfs/dbraw/zinc/49/11/30/418491130.db2.gz IDQCTIJTPKYAQB-CQSZACIVSA-N 2 2 306.454 1.256 20 30 DDEDLP COc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1OC ZINC000262643484 222287936 /nfs/dbraw/zinc/28/79/36/222287936.db2.gz IIMDXEPITLWCNX-CYBMUJFWSA-N 2 2 306.410 1.198 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000371462932 418793776 /nfs/dbraw/zinc/79/37/76/418793776.db2.gz GISXSWDVWQCILO-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP CC#CCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422171643 419867876 /nfs/dbraw/zinc/86/78/76/419867876.db2.gz CMHRWCXJURGQLP-UHFFFAOYSA-N 2 2 320.481 1.601 20 30 DDEDLP CC#CCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422171643 419867880 /nfs/dbraw/zinc/86/78/80/419867880.db2.gz CMHRWCXJURGQLP-UHFFFAOYSA-N 2 2 320.481 1.601 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000491210769 421195516 /nfs/dbraw/zinc/19/55/16/421195516.db2.gz YPKAOMFOEGZHJA-JKSUJKDBSA-N 2 2 303.450 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000491210769 421195517 /nfs/dbraw/zinc/19/55/17/421195517.db2.gz YPKAOMFOEGZHJA-JKSUJKDBSA-N 2 2 303.450 1.274 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000573956942 422041020 /nfs/dbraw/zinc/04/10/20/422041020.db2.gz MLXWXHFMMKMSHM-CABCVRRESA-N 2 2 312.373 1.099 20 30 DDEDLP C=CCn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC000655777080 424665055 /nfs/dbraw/zinc/66/50/55/424665055.db2.gz OATZYVAJDYXTKE-INIZCTEOSA-N 2 2 305.426 1.197 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1C1CC[NH+](C)CC1 ZINC000377679037 267233384 /nfs/dbraw/zinc/23/33/84/267233384.db2.gz OIIRDSYTYJHIDF-AWEZNQCLSA-N 2 2 302.422 1.752 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1C1CC[NH+](C)CC1 ZINC000377679037 267233387 /nfs/dbraw/zinc/23/33/87/267233387.db2.gz OIIRDSYTYJHIDF-AWEZNQCLSA-N 2 2 302.422 1.752 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC[C@H]21 ZINC000329635615 277066043 /nfs/dbraw/zinc/06/60/43/277066043.db2.gz UPEUDMUFVNEDAH-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC[C@H]21 ZINC000329635615 277066045 /nfs/dbraw/zinc/06/60/45/277066045.db2.gz UPEUDMUFVNEDAH-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC[C@H]21 ZINC000329635615 277066046 /nfs/dbraw/zinc/06/60/46/277066046.db2.gz UPEUDMUFVNEDAH-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC[C@H]21 ZINC000329635615 277066048 /nfs/dbraw/zinc/06/60/48/277066048.db2.gz UPEUDMUFVNEDAH-XJKCOSOUSA-N 2 2 317.437 1.597 20 30 DDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643173 277198675 /nfs/dbraw/zinc/19/86/75/277198675.db2.gz JYACJDORDNIIMB-MJBXVCDLSA-N 2 2 316.430 1.218 20 30 DDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643173 277198676 /nfs/dbraw/zinc/19/86/76/277198676.db2.gz JYACJDORDNIIMB-MJBXVCDLSA-N 2 2 316.430 1.218 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643173 277198677 /nfs/dbraw/zinc/19/86/77/277198677.db2.gz JYACJDORDNIIMB-MJBXVCDLSA-N 2 2 316.430 1.218 20 30 DDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]2C1 ZINC000193643173 277198679 /nfs/dbraw/zinc/19/86/79/277198679.db2.gz JYACJDORDNIIMB-MJBXVCDLSA-N 2 2 316.430 1.218 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000330276229 295385445 /nfs/dbraw/zinc/38/54/45/295385445.db2.gz MPARLSYPLOKONF-ZIAGYGMSSA-N 2 2 301.394 1.058 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000574105770 308260982 /nfs/dbraw/zinc/26/09/82/308260982.db2.gz VAQUWZAMLDJPRI-OAHLLOKOSA-N 2 2 300.362 1.174 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839304 341304718 /nfs/dbraw/zinc/30/47/18/341304718.db2.gz CRJTULYKICSHQS-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549839304 341304719 /nfs/dbraw/zinc/30/47/19/341304719.db2.gz CRJTULYKICSHQS-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549839304 341304720 /nfs/dbraw/zinc/30/47/20/341304720.db2.gz CRJTULYKICSHQS-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549839304 341304721 /nfs/dbraw/zinc/30/47/21/341304721.db2.gz CRJTULYKICSHQS-HOCLYGCPSA-N 2 2 304.438 1.355 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566123379 341548464 /nfs/dbraw/zinc/54/84/64/341548464.db2.gz IRNNWGXSCVGPKR-MTSZKFMLSA-N 2 2 312.454 1.027 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330268647 534763044 /nfs/dbraw/zinc/76/30/44/534763044.db2.gz IUCYXAHUSVJPDF-CYBMUJFWSA-N 2 2 314.393 1.646 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197125 526510941 /nfs/dbraw/zinc/51/09/41/526510941.db2.gz YELHVPNGVGAMBE-OIISXLGYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197125 526510944 /nfs/dbraw/zinc/51/09/44/526510944.db2.gz YELHVPNGVGAMBE-OIISXLGYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000337197125 526510945 /nfs/dbraw/zinc/51/09/45/526510945.db2.gz YELHVPNGVGAMBE-OIISXLGYSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000337197125 526510946 /nfs/dbraw/zinc/51/09/46/526510946.db2.gz YELHVPNGVGAMBE-OIISXLGYSA-N 2 2 303.450 1.722 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000491506886 526930341 /nfs/dbraw/zinc/93/03/41/526930341.db2.gz RVOJILBSWRIJJN-OAHLLOKOSA-N 2 2 300.406 1.333 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)OCc2cc(OC)cc(C)[nH+]2)CC1 ZINC000490865344 526935290 /nfs/dbraw/zinc/93/52/90/526935290.db2.gz BBFDVJDLZZXIMD-UHFFFAOYSA-N 2 2 302.374 1.787 20 30 DDEDLP CC[NH+]1CCC(CCNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329818444 528959877 /nfs/dbraw/zinc/95/98/77/528959877.db2.gz XECHBGNDHXCARE-UHFFFAOYSA-N 2 2 305.426 1.735 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000974685126 695710917 /nfs/dbraw/zinc/71/09/17/695710917.db2.gz KBGCFKLQSWMLAO-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000974685126 695710919 /nfs/dbraw/zinc/71/09/19/695710919.db2.gz KBGCFKLQSWMLAO-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC000974685126 695710922 /nfs/dbraw/zinc/71/09/22/695710922.db2.gz KBGCFKLQSWMLAO-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC000974685126 695710924 /nfs/dbraw/zinc/71/09/24/695710924.db2.gz KBGCFKLQSWMLAO-DLBZAZTESA-N 2 2 317.477 1.711 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747988 695725069 /nfs/dbraw/zinc/72/50/69/695725069.db2.gz CLLZUTNQOVQHJD-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747988 695725070 /nfs/dbraw/zinc/72/50/70/695725070.db2.gz CLLZUTNQOVQHJD-HOCLYGCPSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747992 695725119 /nfs/dbraw/zinc/72/51/19/695725119.db2.gz CLLZUTNQOVQHJD-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747992 695725120 /nfs/dbraw/zinc/72/51/20/695725120.db2.gz CLLZUTNQOVQHJD-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974970764 695770460 /nfs/dbraw/zinc/77/04/60/695770460.db2.gz GCSUGNHPJVSJRF-HNNXBMFYSA-N 2 2 317.433 1.805 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974970764 695770461 /nfs/dbraw/zinc/77/04/61/695770461.db2.gz GCSUGNHPJVSJRF-HNNXBMFYSA-N 2 2 317.433 1.805 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977575544 696219574 /nfs/dbraw/zinc/21/95/74/696219574.db2.gz JSLUWNGIXGTBLL-CYBMUJFWSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977575544 696219575 /nfs/dbraw/zinc/21/95/75/696219575.db2.gz JSLUWNGIXGTBLL-CYBMUJFWSA-N 2 2 310.829 1.771 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598660 697156320 /nfs/dbraw/zinc/15/63/20/697156320.db2.gz JQCIIWBJIHGTLJ-RYQLBKOJSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982598660 697156322 /nfs/dbraw/zinc/15/63/22/697156322.db2.gz JQCIIWBJIHGTLJ-RYQLBKOJSA-N 2 2 314.433 1.638 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603083 698161661 /nfs/dbraw/zinc/16/16/61/698161661.db2.gz FUMIJQHUNRFMTA-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990105716 698954985 /nfs/dbraw/zinc/95/49/85/698954985.db2.gz DLBAJSLLVQENCY-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990105716 698954987 /nfs/dbraw/zinc/95/49/87/698954987.db2.gz DLBAJSLLVQENCY-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990105716 698954988 /nfs/dbraw/zinc/95/49/88/698954988.db2.gz DLBAJSLLVQENCY-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990105716 698954989 /nfs/dbraw/zinc/95/49/89/698954989.db2.gz DLBAJSLLVQENCY-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C#Cc1ccccc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414903 704484257 /nfs/dbraw/zinc/48/42/57/704484257.db2.gz MNDXLDAFEQXNAN-UHFFFAOYSA-N 2 2 301.434 1.210 20 30 DDEDLP C#Cc1ccccc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414903 704484258 /nfs/dbraw/zinc/48/42/58/704484258.db2.gz MNDXLDAFEQXNAN-UHFFFAOYSA-N 2 2 301.434 1.210 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480657 707064293 /nfs/dbraw/zinc/06/42/93/707064293.db2.gz ULUTUORNLLYCPN-BMFZPTHFSA-N 2 2 316.380 1.018 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480657 707064297 /nfs/dbraw/zinc/06/42/97/707064297.db2.gz ULUTUORNLLYCPN-BMFZPTHFSA-N 2 2 316.380 1.018 20 30 DDEDLP C=CC[C@H](C(=O)OC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000878721934 706481510 /nfs/dbraw/zinc/48/15/10/706481510.db2.gz MKXDRJSCCOFPAX-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[C@H](C(=O)OC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000878721934 706481512 /nfs/dbraw/zinc/48/15/12/706481512.db2.gz MKXDRJSCCOFPAX-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP N#CCSCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252923 706921043 /nfs/dbraw/zinc/92/10/43/706921043.db2.gz RNUMBQMAAXJNCI-UHFFFAOYSA-N 2 2 324.494 1.439 20 30 DDEDLP C#CCCCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252549 706921149 /nfs/dbraw/zinc/92/11/49/706921149.db2.gz ADSLVZTZWPBRLT-UHFFFAOYSA-N 2 2 305.466 1.986 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187926 708711513 /nfs/dbraw/zinc/71/15/13/708711513.db2.gz FYKIMZMQIZOLOE-DLBZAZTESA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187926 708711515 /nfs/dbraw/zinc/71/15/15/708711515.db2.gz FYKIMZMQIZOLOE-DLBZAZTESA-N 2 2 321.465 1.618 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131308 708966374 /nfs/dbraw/zinc/96/63/74/708966374.db2.gz VLKWKPANYVETCE-HUUCEWRRSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131308 708966375 /nfs/dbraw/zinc/96/63/75/708966375.db2.gz VLKWKPANYVETCE-HUUCEWRRSA-N 2 2 315.421 1.353 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806617 711286565 /nfs/dbraw/zinc/28/65/65/711286565.db2.gz YLQWZXHMIDVWMO-JZXOWHBKSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806617 711286566 /nfs/dbraw/zinc/28/65/66/711286566.db2.gz YLQWZXHMIDVWMO-JZXOWHBKSA-N 2 2 315.417 1.501 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000913522056 713244697 /nfs/dbraw/zinc/24/46/97/713244697.db2.gz XWUNSZFHVRRPGJ-UHFFFAOYSA-N 2 2 310.401 1.155 20 30 DDEDLP N#CC1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000895687065 711577992 /nfs/dbraw/zinc/57/79/92/711577992.db2.gz ZCXKNWRKIHHWLA-ABHNRTSZSA-N 2 2 320.481 1.455 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961254614 716883521 /nfs/dbraw/zinc/88/35/21/716883521.db2.gz MXLSQQUIJNJWBQ-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961254614 716883522 /nfs/dbraw/zinc/88/35/22/716883522.db2.gz MXLSQQUIJNJWBQ-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853303 716993877 /nfs/dbraw/zinc/99/38/77/716993877.db2.gz PVZGDWDBNUBRCR-OAHLLOKOSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853303 716993880 /nfs/dbraw/zinc/99/38/80/716993880.db2.gz PVZGDWDBNUBRCR-OAHLLOKOSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000964319962 717221481 /nfs/dbraw/zinc/22/14/81/717221481.db2.gz GARMAGZTCFNOBX-UHFFFAOYSA-N 2 2 308.385 1.598 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206568 717547894 /nfs/dbraw/zinc/54/78/94/717547894.db2.gz BJURRVHSKYISHJ-HIFRSBDPSA-N 2 2 318.421 1.200 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942206568 717547896 /nfs/dbraw/zinc/54/78/96/717547896.db2.gz BJURRVHSKYISHJ-HIFRSBDPSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444001 717792278 /nfs/dbraw/zinc/79/22/78/717792278.db2.gz UXTJQEUCABRCEL-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444001 717792282 /nfs/dbraw/zinc/79/22/82/717792282.db2.gz UXTJQEUCABRCEL-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401451 718871153 /nfs/dbraw/zinc/87/11/53/718871153.db2.gz BJIMIPPXUQDPTG-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401451 718871157 /nfs/dbraw/zinc/87/11/57/718871157.db2.gz BJIMIPPXUQDPTG-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000951551281 721068937 /nfs/dbraw/zinc/06/89/37/721068937.db2.gz UPYZKQQABKRMIZ-HNNXBMFYSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600823 735334898 /nfs/dbraw/zinc/33/48/98/735334898.db2.gz KTAHQNHBZQZXSS-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023600823 735334901 /nfs/dbraw/zinc/33/49/01/735334901.db2.gz KTAHQNHBZQZXSS-BZUAXINKSA-N 2 2 316.449 1.928 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001149131023 732522480 /nfs/dbraw/zinc/52/24/80/732522480.db2.gz SHMMGEUECHWZMU-UHFFFAOYSA-N 2 2 314.364 1.157 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363793 734358418 /nfs/dbraw/zinc/35/84/18/734358418.db2.gz IKEMTVULXRJFOF-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980055 738903662 /nfs/dbraw/zinc/90/36/62/738903662.db2.gz LBFVBGBPFBZVGL-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980055 738903666 /nfs/dbraw/zinc/90/36/66/738903666.db2.gz LBFVBGBPFBZVGL-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623759 735988682 /nfs/dbraw/zinc/98/86/82/735988682.db2.gz HSKAXMFRTVHACC-OAHLLOKOSA-N 2 2 303.406 1.559 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024623759 735988685 /nfs/dbraw/zinc/98/86/85/735988685.db2.gz HSKAXMFRTVHACC-OAHLLOKOSA-N 2 2 303.406 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087315839 736068634 /nfs/dbraw/zinc/06/86/34/736068634.db2.gz JDPLAAGPCJPYBB-XOKHGSTOSA-N 2 2 314.433 1.499 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001087315839 736068639 /nfs/dbraw/zinc/06/86/39/736068639.db2.gz JDPLAAGPCJPYBB-XOKHGSTOSA-N 2 2 314.433 1.499 20 30 DDEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104732131 736688296 /nfs/dbraw/zinc/68/82/96/736688296.db2.gz PJBUQOIPEAHSLU-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105584 737535079 /nfs/dbraw/zinc/53/50/79/737535079.db2.gz XWCWJRAQHOMUSR-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027469844 738324832 /nfs/dbraw/zinc/32/48/32/738324832.db2.gz HMBMWHBQUSUPOJ-WBVHZDCISA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027469844 738324838 /nfs/dbraw/zinc/32/48/38/738324838.db2.gz HMBMWHBQUSUPOJ-WBVHZDCISA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028259205 739246394 /nfs/dbraw/zinc/24/63/94/739246394.db2.gz KVGCHSKDXKHCKH-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028259205 739246400 /nfs/dbraw/zinc/24/64/00/739246400.db2.gz KVGCHSKDXKHCKH-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393930 751463659 /nfs/dbraw/zinc/46/36/59/751463659.db2.gz JZMYCTMTKXQDQO-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393930 751463661 /nfs/dbraw/zinc/46/36/61/751463661.db2.gz JZMYCTMTKXQDQO-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035393930 751463664 /nfs/dbraw/zinc/46/36/64/751463664.db2.gz JZMYCTMTKXQDQO-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035393930 751463667 /nfs/dbraw/zinc/46/36/67/751463667.db2.gz JZMYCTMTKXQDQO-SJORKVTESA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906076 740160615 /nfs/dbraw/zinc/16/06/15/740160615.db2.gz CNQJHHDZZSVVOS-AWEZNQCLSA-N 2 2 311.389 1.505 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906076 740160618 /nfs/dbraw/zinc/16/06/18/740160618.db2.gz CNQJHHDZZSVVOS-AWEZNQCLSA-N 2 2 311.389 1.505 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001029342231 740582205 /nfs/dbraw/zinc/58/22/05/740582205.db2.gz DDJXIQDBBQBHSV-FJIDUMEYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029342231 740582207 /nfs/dbraw/zinc/58/22/07/740582207.db2.gz DDJXIQDBBQBHSV-FJIDUMEYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029342231 740582209 /nfs/dbraw/zinc/58/22/09/740582209.db2.gz DDJXIQDBBQBHSV-FJIDUMEYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029342231 740582212 /nfs/dbraw/zinc/58/22/12/740582212.db2.gz DDJXIQDBBQBHSV-FJIDUMEYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001088335440 741407824 /nfs/dbraw/zinc/40/78/24/741407824.db2.gz DVBRPQBQAFHVRR-MRXNPFEDSA-N 2 2 315.417 1.627 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998314284 751707942 /nfs/dbraw/zinc/70/79/42/751707942.db2.gz OMGAZOOLGJQDJB-GHMZBOCLSA-N 2 2 316.327 1.507 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737205 742265647 /nfs/dbraw/zinc/26/56/47/742265647.db2.gz HIRPTCLGADQJGS-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737205 742265653 /nfs/dbraw/zinc/26/56/53/742265653.db2.gz HIRPTCLGADQJGS-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035752800 751837072 /nfs/dbraw/zinc/83/70/72/751837072.db2.gz FVXNINWDSDUPKU-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001030024691 743689014 /nfs/dbraw/zinc/68/90/14/743689014.db2.gz CPQGHNCNOSYEAU-OAGGEKHMSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001030024691 743689020 /nfs/dbraw/zinc/68/90/20/743689020.db2.gz CPQGHNCNOSYEAU-OAGGEKHMSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001030024691 743689023 /nfs/dbraw/zinc/68/90/23/743689023.db2.gz CPQGHNCNOSYEAU-OAGGEKHMSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001030024691 743689027 /nfs/dbraw/zinc/68/90/27/743689027.db2.gz CPQGHNCNOSYEAU-OAGGEKHMSA-N 2 2 309.429 1.413 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852124 744104881 /nfs/dbraw/zinc/10/48/81/744104881.db2.gz SYHWQEGRLKTXNG-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001188073492 744656459 /nfs/dbraw/zinc/65/64/59/744656459.db2.gz XGQZLENLSXECEY-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001188073492 744656460 /nfs/dbraw/zinc/65/64/60/744656460.db2.gz XGQZLENLSXECEY-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354327 744699682 /nfs/dbraw/zinc/69/96/82/744699682.db2.gz RCTABGPVABIEKK-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942572 745058769 /nfs/dbraw/zinc/05/87/69/745058769.db2.gz TXIXHPVUYHKUSB-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942572 745058777 /nfs/dbraw/zinc/05/87/77/745058777.db2.gz TXIXHPVUYHKUSB-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010278 745403712 /nfs/dbraw/zinc/40/37/12/745403712.db2.gz KJGGTOCHQPBUGT-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010278 745403716 /nfs/dbraw/zinc/40/37/16/745403716.db2.gz KJGGTOCHQPBUGT-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993512777 746208740 /nfs/dbraw/zinc/20/87/40/746208740.db2.gz FILAYISCEYWQPY-UKRRQHHQSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993512777 746208743 /nfs/dbraw/zinc/20/87/43/746208743.db2.gz FILAYISCEYWQPY-UKRRQHHQSA-N 2 2 318.421 1.342 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000998803870 752238189 /nfs/dbraw/zinc/23/81/89/752238189.db2.gz DPUIPNFDVOWUEZ-UHFFFAOYSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200654787 748316514 /nfs/dbraw/zinc/31/65/14/748316514.db2.gz QOUJXJHYBYZULU-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200654787 748316522 /nfs/dbraw/zinc/31/65/22/748316522.db2.gz QOUJXJHYBYZULU-INIZCTEOSA-N 2 2 320.437 1.516 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC001168735585 748423416 /nfs/dbraw/zinc/42/34/16/748423416.db2.gz BFMGBYIEMRQJTR-UHFFFAOYSA-N 2 2 312.299 1.566 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007679875 752270477 /nfs/dbraw/zinc/27/04/77/752270477.db2.gz OVLRFCPFHTVBNM-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007679875 752270480 /nfs/dbraw/zinc/27/04/80/752270480.db2.gz OVLRFCPFHTVBNM-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007685300 752272899 /nfs/dbraw/zinc/27/28/99/752272899.db2.gz FUQOHNSPDITFMF-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001007685300 752272903 /nfs/dbraw/zinc/27/29/03/752272903.db2.gz FUQOHNSPDITFMF-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201335608 748488765 /nfs/dbraw/zinc/48/87/65/748488765.db2.gz JNJOUZFZMVYVBV-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004549392 748540888 /nfs/dbraw/zinc/54/08/88/748540888.db2.gz YWRPYLFXZBNCOS-HOTGVXAUSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004549392 748540894 /nfs/dbraw/zinc/54/08/94/748540894.db2.gz YWRPYLFXZBNCOS-HOTGVXAUSA-N 2 2 306.454 1.553 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709377 752287587 /nfs/dbraw/zinc/28/75/87/752287587.db2.gz YUZDFHZJKWNFKK-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709377 752287591 /nfs/dbraw/zinc/28/75/91/752287591.db2.gz YUZDFHZJKWNFKK-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216308 748713994 /nfs/dbraw/zinc/71/39/94/748713994.db2.gz BSTUJLXADRNGEJ-HOTGVXAUSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254247 761892117 /nfs/dbraw/zinc/89/21/17/761892117.db2.gz UBLZUIFWARIEAR-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254247 761892124 /nfs/dbraw/zinc/89/21/24/761892124.db2.gz UBLZUIFWARIEAR-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365096 749253473 /nfs/dbraw/zinc/25/34/73/749253473.db2.gz KBMXHXWISLCAFF-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365096 749253475 /nfs/dbraw/zinc/25/34/75/749253475.db2.gz KBMXHXWISLCAFF-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365096 749253477 /nfs/dbraw/zinc/25/34/77/749253477.db2.gz KBMXHXWISLCAFF-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365096 749253479 /nfs/dbraw/zinc/25/34/79/749253479.db2.gz KBMXHXWISLCAFF-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995970826 749319510 /nfs/dbraw/zinc/31/95/10/749319510.db2.gz HKIQPSIYKHSMJE-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481073 750012587 /nfs/dbraw/zinc/01/25/87/750012587.db2.gz FUHOTFZGTKVILJ-CRAIPNDOSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481073 750012592 /nfs/dbraw/zinc/01/25/92/750012592.db2.gz FUHOTFZGTKVILJ-CRAIPNDOSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561933 750140724 /nfs/dbraw/zinc/14/07/24/750140724.db2.gz SYJQDGNLTAYKEI-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561933 750140730 /nfs/dbraw/zinc/14/07/30/750140730.db2.gz SYJQDGNLTAYKEI-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111077928 750352289 /nfs/dbraw/zinc/35/22/89/750352289.db2.gz CGGOPEPQFOMYAU-FPCVCCKLSA-N 2 2 300.406 1.579 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111077928 750352299 /nfs/dbraw/zinc/35/22/99/750352299.db2.gz CGGOPEPQFOMYAU-FPCVCCKLSA-N 2 2 300.406 1.579 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001128986105 750682626 /nfs/dbraw/zinc/68/26/26/750682626.db2.gz GYKGOIQUCZHFME-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001128986105 750682630 /nfs/dbraw/zinc/68/26/30/750682630.db2.gz GYKGOIQUCZHFME-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001034682536 750690114 /nfs/dbraw/zinc/69/01/14/750690114.db2.gz KEVANIYPCDDUKY-KKUMJFAQSA-N 2 2 300.406 1.096 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032484648 750997054 /nfs/dbraw/zinc/99/70/54/750997054.db2.gz NCLMMSCPFQGCFC-KKUMJFAQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032484648 750997058 /nfs/dbraw/zinc/99/70/58/750997058.db2.gz NCLMMSCPFQGCFC-KKUMJFAQSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189775 751290523 /nfs/dbraw/zinc/29/05/23/751290523.db2.gz DSMDFQYUFLEQTJ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189775 751290527 /nfs/dbraw/zinc/29/05/27/751290527.db2.gz DSMDFQYUFLEQTJ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189775 751290531 /nfs/dbraw/zinc/29/05/31/751290531.db2.gz DSMDFQYUFLEQTJ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189775 751290536 /nfs/dbraw/zinc/29/05/36/751290536.db2.gz DSMDFQYUFLEQTJ-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999007520 752432141 /nfs/dbraw/zinc/43/21/41/752432141.db2.gz PIKLHTPUVONMAR-WLYUNCDWSA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999007520 752432143 /nfs/dbraw/zinc/43/21/43/752432143.db2.gz PIKLHTPUVONMAR-WLYUNCDWSA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999008425 752432660 /nfs/dbraw/zinc/43/26/60/752432660.db2.gz XKLPXEFUGOQZFB-WLYUNCDWSA-N 2 2 302.422 1.601 20 30 DDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999537811 752981168 /nfs/dbraw/zinc/98/11/68/752981168.db2.gz UVIOSNXMRGKSRK-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999537811 752981169 /nfs/dbraw/zinc/98/11/69/752981169.db2.gz UVIOSNXMRGKSRK-KGLIPLIRSA-N 2 2 300.406 1.037 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999538854 752982196 /nfs/dbraw/zinc/98/21/96/752982196.db2.gz ZQNJIFMBQBXROG-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999538854 752982198 /nfs/dbraw/zinc/98/21/98/752982198.db2.gz ZQNJIFMBQBXROG-KBPBESRZSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999801736 753152635 /nfs/dbraw/zinc/15/26/35/753152635.db2.gz STEKEBDLRUZRCQ-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999801736 753152642 /nfs/dbraw/zinc/15/26/42/753152642.db2.gz STEKEBDLRUZRCQ-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014505391 755765473 /nfs/dbraw/zinc/76/54/73/755765473.db2.gz BOKLVPJQGXIRBJ-DOMZBBRYSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014505391 755765479 /nfs/dbraw/zinc/76/54/79/755765479.db2.gz BOKLVPJQGXIRBJ-DOMZBBRYSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505391 755765485 /nfs/dbraw/zinc/76/54/85/755765485.db2.gz BOKLVPJQGXIRBJ-DOMZBBRYSA-N 2 2 303.410 1.167 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014505391 755765489 /nfs/dbraw/zinc/76/54/89/755765489.db2.gz BOKLVPJQGXIRBJ-DOMZBBRYSA-N 2 2 303.410 1.167 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016108611 756765801 /nfs/dbraw/zinc/76/58/01/756765801.db2.gz VXWDZEYSLHYVNV-MRXNPFEDSA-N 2 2 323.400 1.523 20 30 DDEDLP 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/nfs/dbraw/zinc/48/77/46/758487746.db2.gz UQHPABNEUMFRIM-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018027285 758487749 /nfs/dbraw/zinc/48/77/49/758487749.db2.gz UQHPABNEUMFRIM-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857431 758890788 /nfs/dbraw/zinc/89/07/88/758890788.db2.gz DXEPZJYCRUILMR-OAHLLOKOSA-N 2 2 319.449 1.150 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001085207480 759148583 /nfs/dbraw/zinc/14/85/83/759148583.db2.gz WUNOEHWZSAOMFZ-HZPDHXFCSA-N 2 2 316.449 1.965 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019153301 759630942 /nfs/dbraw/zinc/63/09/42/759630942.db2.gz UKAFHOVQNLYJQR-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788536 760243527 /nfs/dbraw/zinc/24/35/27/760243527.db2.gz MYFRGVXZULWGMN-HNNXBMFYSA-N 2 2 303.406 1.511 20 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311.470 1.310 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001269848979 842103867 /nfs/dbraw/zinc/10/38/67/842103867.db2.gz CJAKXXLGZUGALA-UHFFFAOYSA-N 2 2 311.470 1.310 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001271553371 843692818 /nfs/dbraw/zinc/69/28/18/843692818.db2.gz YILBRVDKCFAXNS-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001272749115 846855671 /nfs/dbraw/zinc/85/56/71/846855671.db2.gz YMFWQTJVWCCJTN-WKILWMFISA-N 2 2 302.422 1.561 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#CC)C1 ZINC001034250354 848159426 /nfs/dbraw/zinc/15/94/26/848159426.db2.gz SPRVPWVPEZBTAM-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC#CC)C1 ZINC001034250354 848159433 /nfs/dbraw/zinc/15/94/33/848159433.db2.gz SPRVPWVPEZBTAM-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC#CC)C1 ZINC001034250354 848159437 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20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001049561016 856977026 /nfs/dbraw/zinc/97/70/26/856977026.db2.gz GHKKGCNGISJJRZ-BHYGNILZSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCOc1ccccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001139030823 860258911 /nfs/dbraw/zinc/25/89/11/860258911.db2.gz VFXLFEIKIDAHBJ-UHFFFAOYSA-N 2 2 303.450 1.931 20 30 DDEDLP C=CCOc1ccccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001139030823 860258920 /nfs/dbraw/zinc/25/89/20/860258920.db2.gz VFXLFEIKIDAHBJ-UHFFFAOYSA-N 2 2 303.450 1.931 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013343 860593240 /nfs/dbraw/zinc/59/32/40/860593240.db2.gz JCGBJNODGQTMKI-HUUCEWRRSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013343 860593242 /nfs/dbraw/zinc/59/32/42/860593242.db2.gz JCGBJNODGQTMKI-HUUCEWRRSA-N 2 2 300.406 1.383 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1F ZINC001277006642 881586908 /nfs/dbraw/zinc/58/69/08/881586908.db2.gz DLSAPZXGTMHHGR-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1F ZINC001277006642 881586920 /nfs/dbraw/zinc/58/69/20/881586920.db2.gz DLSAPZXGTMHHGR-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001328632445 863121169 /nfs/dbraw/zinc/12/11/69/863121169.db2.gz VHZXPMQAOGKJRH-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP C=C(C)C(=O)OCCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157304857 863727821 /nfs/dbraw/zinc/72/78/21/863727821.db2.gz NCUIRTOTSKIZNP-UHFFFAOYSA-N 2 2 304.394 1.365 20 30 DDEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001329707139 863802432 /nfs/dbraw/zinc/80/24/32/863802432.db2.gz CDTPSFJIHLNTSI-UHFFFAOYSA-N 2 2 323.481 1.236 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083337 864396592 /nfs/dbraw/zinc/39/65/92/864396592.db2.gz ROZHAXYBRIMMBK-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083337 864396604 /nfs/dbraw/zinc/39/66/04/864396604.db2.gz ROZHAXYBRIMMBK-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225309939 881774328 /nfs/dbraw/zinc/77/43/28/881774328.db2.gz DRBMYEFARMGNHT-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491113 864686181 /nfs/dbraw/zinc/68/61/81/864686181.db2.gz JVWNUEQKFRFZRG-BZUAXINKSA-N 2 2 314.433 1.470 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491113 864686185 /nfs/dbraw/zinc/68/61/85/864686185.db2.gz JVWNUEQKFRFZRG-BZUAXINKSA-N 2 2 314.433 1.470 20 30 DDEDLP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001330913899 864698074 /nfs/dbraw/zinc/69/80/74/864698074.db2.gz CAODMVNSMHYFDX-RBSFLKMASA-N 2 2 302.422 1.421 20 30 DDEDLP Cc1nc(Cl)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160514852 865901139 /nfs/dbraw/zinc/90/11/39/865901139.db2.gz YXTDPOUDLPVKOX-CQSZACIVSA-N 2 2 306.801 1.145 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847078 866338351 /nfs/dbraw/zinc/33/83/51/866338351.db2.gz GNRUWRIEBROPEZ-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847078 866338368 /nfs/dbraw/zinc/33/83/68/866338368.db2.gz GNRUWRIEBROPEZ-GOEBONIOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721758 866795949 /nfs/dbraw/zinc/79/59/49/866795949.db2.gz JEBBWXWLHMJKQE-UHFFFAOYSA-N 2 2 302.422 1.726 20 30 DDEDLP C#CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001323721758 866795964 /nfs/dbraw/zinc/79/59/64/866795964.db2.gz JEBBWXWLHMJKQE-UHFFFAOYSA-N 2 2 302.422 1.726 20 30 DDEDLP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320770185 867019424 /nfs/dbraw/zinc/01/94/24/867019424.db2.gz WJAZHYZFDLHTGE-CYBMUJFWSA-N 2 2 310.829 1.636 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718757 869690579 /nfs/dbraw/zinc/69/05/79/869690579.db2.gz QQBQKZDVMHOTCV-UHFFFAOYSA-N 2 2 302.422 1.436 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001316972108 870023195 /nfs/dbraw/zinc/02/31/95/870023195.db2.gz MGJCIVIGNGSLNH-HNNXBMFYSA-N 2 2 319.453 1.041 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001317008598 870113074 /nfs/dbraw/zinc/11/30/74/870113074.db2.gz ZJPNPHPBVVVTFH-OAHLLOKOSA-N 2 2 300.406 1.267 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327696 870650705 /nfs/dbraw/zinc/65/07/05/870650705.db2.gz WVKQMOAIALWTKA-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317399849 870769887 /nfs/dbraw/zinc/76/98/87/870769887.db2.gz WOEGGBZYQCYYDW-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[N@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001316827222 872125663 /nfs/dbraw/zinc/12/56/63/872125663.db2.gz XTWVFEAJAGDIDV-MRXNPFEDSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[N@@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001316827222 872125676 /nfs/dbraw/zinc/12/56/76/872125676.db2.gz XTWVFEAJAGDIDV-MRXNPFEDSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001316827222 872125686 /nfs/dbraw/zinc/12/56/86/872125686.db2.gz XTWVFEAJAGDIDV-MRXNPFEDSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001316827222 872125697 /nfs/dbraw/zinc/12/56/97/872125697.db2.gz XTWVFEAJAGDIDV-MRXNPFEDSA-N 2 2 317.437 1.251 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602812 873414034 /nfs/dbraw/zinc/41/40/34/873414034.db2.gz VLZIDEXIQLMMSQ-IXYNUQLISA-N 2 2 318.421 1.152 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602812 873414038 /nfs/dbraw/zinc/41/40/38/873414038.db2.gz VLZIDEXIQLMMSQ-IXYNUQLISA-N 2 2 318.421 1.152 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678884 874378730 /nfs/dbraw/zinc/37/87/30/874378730.db2.gz KGWVUGWHLXUEHT-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CC1 ZINC001276610533 874630745 /nfs/dbraw/zinc/63/07/45/874630745.db2.gz BQEVUELOLCYZBC-OAHLLOKOSA-N 2 2 302.422 1.434 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218620317 877615157 /nfs/dbraw/zinc/61/51/57/877615157.db2.gz KMLAURGZVXRWAA-HNNXBMFYSA-N 2 2 306.369 1.372 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001228032058 883295104 /nfs/dbraw/zinc/29/51/04/883295104.db2.gz AURCSSWIVAAPFS-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001366000405 892178575 /nfs/dbraw/zinc/17/85/75/892178575.db2.gz YSSNOWPUEMQAKZ-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001366000405 892178581 /nfs/dbraw/zinc/17/85/81/892178581.db2.gz YSSNOWPUEMQAKZ-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366000405 892178591 /nfs/dbraw/zinc/17/85/91/892178591.db2.gz YSSNOWPUEMQAKZ-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001366000405 892178599 /nfs/dbraw/zinc/17/85/99/892178599.db2.gz YSSNOWPUEMQAKZ-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001264068885 900903046 /nfs/dbraw/zinc/90/30/46/900903046.db2.gz IBXHCFFBFUXPKT-GOEBONIOSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1CC ZINC001264068885 900903057 /nfs/dbraw/zinc/90/30/57/900903057.db2.gz IBXHCFFBFUXPKT-GOEBONIOSA-N 2 2 320.437 1.432 20 30 DDEDLP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001265263851 901787937 /nfs/dbraw/zinc/78/79/37/901787937.db2.gz BJODHKNWTBUTBV-INIZCTEOSA-N 2 2 319.453 1.144 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266234936 903166184 /nfs/dbraw/zinc/16/61/84/903166184.db2.gz OFYPGYYYUBHDGN-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266234936 903166190 /nfs/dbraw/zinc/16/61/90/903166190.db2.gz OFYPGYYYUBHDGN-BZUAXINKSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001282643891 905914941 /nfs/dbraw/zinc/91/49/41/905914941.db2.gz UQIRNWFKXILZBY-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284069102 908423949 /nfs/dbraw/zinc/42/39/49/908423949.db2.gz GHPHNZDEZVWANZ-WBVHZDCISA-N 2 2 300.406 1.410 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284069102 908423953 /nfs/dbraw/zinc/42/39/53/908423953.db2.gz GHPHNZDEZVWANZ-WBVHZDCISA-N 2 2 300.406 1.410 20 30 DDEDLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001393984144 908456869 /nfs/dbraw/zinc/45/68/69/908456869.db2.gz LWKJXABBGAAXJL-CHWSQXEVSA-N 2 2 311.389 1.507 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001316632471 908943706 /nfs/dbraw/zinc/94/37/06/908943706.db2.gz HPPXFBZLABKYMJ-KKUMJFAQSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001284416946 908964790 /nfs/dbraw/zinc/96/47/90/908964790.db2.gz LURHQHYFPRSTAD-HNNXBMFYSA-N 2 2 316.405 1.241 20 30 DDEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001284416951 908964862 /nfs/dbraw/zinc/96/48/62/908964862.db2.gz LURHQHYFPRSTAD-OAHLLOKOSA-N 2 2 316.405 1.241 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316632853 909006506 /nfs/dbraw/zinc/00/65/06/909006506.db2.gz JTTMAVIQFDHQOL-SHTZXODSSA-N 2 2 304.438 1.987 20 30 DDEDLP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001284543940 909165806 /nfs/dbraw/zinc/16/58/06/909165806.db2.gz BDPGQXZRNLKSOY-INIZCTEOSA-N 2 2 316.449 1.556 20 30 DDEDLP C#CC[N@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001284543940 909165814 /nfs/dbraw/zinc/16/58/14/909165814.db2.gz BDPGQXZRNLKSOY-INIZCTEOSA-N 2 2 316.449 1.556 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001373893211 911290909 /nfs/dbraw/zinc/29/09/09/911290909.db2.gz DEKSIUHPJUJQAP-HNNXBMFYSA-N 2 2 310.829 1.590 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001373893216 911292138 /nfs/dbraw/zinc/29/21/38/911292138.db2.gz DEKSIUHPJUJQAP-OAHLLOKOSA-N 2 2 310.829 1.590 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001286472021 911991175 /nfs/dbraw/zinc/99/11/75/911991175.db2.gz CNULVEYDTZYORM-OAHLLOKOSA-N 2 2 318.469 1.072 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001286472021 911991186 /nfs/dbraw/zinc/99/11/86/911991186.db2.gz CNULVEYDTZYORM-OAHLLOKOSA-N 2 2 318.469 1.072 20 30 DDEDLP CC(=O)NCC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001376411167 918439477 /nfs/dbraw/zinc/43/94/77/918439477.db2.gz AQNHXJRVDVBQHI-UHFFFAOYSA-N 2 2 300.406 1.248 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCc2ccccc21 ZINC000087003839 353746683 /nfs/dbraw/zinc/74/66/83/353746683.db2.gz NMMJJIPRALXFNY-UHFFFAOYSA-N 2 2 312.421 1.624 20 30 DDEDLP COCC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000591473283 355319091 /nfs/dbraw/zinc/31/90/91/355319091.db2.gz BVYRCOYQEHSCFH-UHFFFAOYSA-N 2 2 317.433 1.881 20 30 DDEDLP COCC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000591473283 355319094 /nfs/dbraw/zinc/31/90/94/355319094.db2.gz BVYRCOYQEHSCFH-UHFFFAOYSA-N 2 2 317.433 1.881 20 30 DDEDLP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000592185158 355528472 /nfs/dbraw/zinc/52/84/72/355528472.db2.gz UWLUCBMGPSDHRI-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000592185158 355528476 /nfs/dbraw/zinc/52/84/76/355528476.db2.gz UWLUCBMGPSDHRI-UHFFFAOYSA-N 2 2 315.417 1.863 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000594441022 356216793 /nfs/dbraw/zinc/21/67/93/356216793.db2.gz LCVSUYWCTKKXCL-AWEZNQCLSA-N 2 2 303.410 1.289 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C#N)ccc1Cl ZINC000597990574 357408477 /nfs/dbraw/zinc/40/84/77/357408477.db2.gz ZWARWDYVZRBRQV-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C#N)ccc1Cl ZINC000597990574 357408479 /nfs/dbraw/zinc/40/84/79/357408479.db2.gz ZWARWDYVZRBRQV-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]CCCNc2cccc[nH+]2)CCOCC1 ZINC000600722428 358296190 /nfs/dbraw/zinc/29/61/90/358296190.db2.gz FNCLNWUBFZLEOH-HNNXBMFYSA-N 2 2 318.421 1.545 20 30 DDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602533129 359031962 /nfs/dbraw/zinc/03/19/62/359031962.db2.gz OEIDOYHZTQXGJV-UHFFFAOYSA-N 2 2 322.416 1.390 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602535073 359032516 /nfs/dbraw/zinc/03/25/16/359032516.db2.gz MPFGZBHEJXCLIF-JKSUJKDBSA-N 2 2 309.454 1.786 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602535073 359032524 /nfs/dbraw/zinc/03/25/24/359032524.db2.gz MPFGZBHEJXCLIF-JKSUJKDBSA-N 2 2 309.454 1.786 20 30 DDEDLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000602989066 359341313 /nfs/dbraw/zinc/34/13/13/359341313.db2.gz CDXVIIVEMPHNEF-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000602989066 359341315 /nfs/dbraw/zinc/34/13/15/359341315.db2.gz CDXVIIVEMPHNEF-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP Cc1nnsc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329923804 223046617 /nfs/dbraw/zinc/04/66/17/223046617.db2.gz UROIZAWXOCATEX-UHFFFAOYSA-N 2 2 323.466 1.710 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392424 360710931 /nfs/dbraw/zinc/71/09/31/360710931.db2.gz RBCHBILWTXLKEH-KRWDZBQOSA-N 2 2 312.417 1.299 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332317167 223212841 /nfs/dbraw/zinc/21/28/41/223212841.db2.gz NSJKTNIFXBFQRV-LSDHHAIUSA-N 2 2 319.453 1.243 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332317167 223212842 /nfs/dbraw/zinc/21/28/42/223212842.db2.gz NSJKTNIFXBFQRV-LSDHHAIUSA-N 2 2 319.453 1.243 20 30 DDEDLP COC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271862233 209277496 /nfs/dbraw/zinc/27/74/96/209277496.db2.gz KUFVMFHFXDDZJQ-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000369835960 285029375 /nfs/dbraw/zinc/02/93/75/285029375.db2.gz RBCCGXJPWXCHSM-ICUGJSFKSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000369835960 285029379 /nfs/dbraw/zinc/02/93/79/285029379.db2.gz RBCCGXJPWXCHSM-ICUGJSFKSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115633 304336887 /nfs/dbraw/zinc/33/68/87/304336887.db2.gz PDUQIPQHBFYDCT-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115633 304336889 /nfs/dbraw/zinc/33/68/89/304336889.db2.gz PDUQIPQHBFYDCT-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115633 304336891 /nfs/dbraw/zinc/33/68/91/304336891.db2.gz PDUQIPQHBFYDCT-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000569115633 304336893 /nfs/dbraw/zinc/33/68/93/304336893.db2.gz PDUQIPQHBFYDCT-SFHVURJKSA-N 2 2 319.449 1.708 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170714149 407480659 /nfs/dbraw/zinc/48/06/59/407480659.db2.gz UWIRXJIHEZFSDH-UHFFFAOYSA-N 2 2 301.434 1.757 20 30 DDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170714149 407480668 /nfs/dbraw/zinc/48/06/68/407480668.db2.gz UWIRXJIHEZFSDH-UHFFFAOYSA-N 2 2 301.434 1.757 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109170 407590218 /nfs/dbraw/zinc/59/02/18/407590218.db2.gz KRIRZLSJKAGDTH-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109170 407590223 /nfs/dbraw/zinc/59/02/23/407590223.db2.gz KRIRZLSJKAGDTH-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109170 407590226 /nfs/dbraw/zinc/59/02/26/407590226.db2.gz KRIRZLSJKAGDTH-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109170 407590232 /nfs/dbraw/zinc/59/02/32/407590232.db2.gz KRIRZLSJKAGDTH-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)nc1 ZINC000115383955 407673191 /nfs/dbraw/zinc/67/31/91/407673191.db2.gz VARSZJXOHAZQSO-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)nc1 ZINC000115383955 407673195 /nfs/dbraw/zinc/67/31/95/407673195.db2.gz VARSZJXOHAZQSO-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000171953169 407794530 /nfs/dbraw/zinc/79/45/30/407794530.db2.gz YSCRQHUGWUHCGP-UHFFFAOYSA-N 2 2 317.433 1.822 20 30 DDEDLP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540440 408262555 /nfs/dbraw/zinc/26/25/55/408262555.db2.gz GPWRLWUBMIJRNT-QRTARXTBSA-N 2 2 315.421 1.574 20 30 DDEDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540440 408262561 /nfs/dbraw/zinc/26/25/61/408262561.db2.gz GPWRLWUBMIJRNT-QRTARXTBSA-N 2 2 315.421 1.574 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156518601 408263380 /nfs/dbraw/zinc/26/33/80/408263380.db2.gz KEJHWUIERQGXDY-VYDXJSESSA-N 2 2 317.437 1.820 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156518601 408263386 /nfs/dbraw/zinc/26/33/86/408263386.db2.gz KEJHWUIERQGXDY-VYDXJSESSA-N 2 2 317.437 1.820 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786242 408201878 /nfs/dbraw/zinc/20/18/78/408201878.db2.gz DXVJOVJTCDSZIO-MRXNPFEDSA-N 2 2 317.437 1.060 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786242 408201884 /nfs/dbraw/zinc/20/18/84/408201884.db2.gz DXVJOVJTCDSZIO-MRXNPFEDSA-N 2 2 317.437 1.060 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157010804 408285647 /nfs/dbraw/zinc/28/56/47/408285647.db2.gz STOQBIASXSOMTA-RDJZCZTQSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010804 408285653 /nfs/dbraw/zinc/28/56/53/408285653.db2.gz STOQBIASXSOMTA-RDJZCZTQSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010804 408285660 /nfs/dbraw/zinc/28/56/60/408285660.db2.gz STOQBIASXSOMTA-RDJZCZTQSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010804 408285663 /nfs/dbraw/zinc/28/56/63/408285663.db2.gz STOQBIASXSOMTA-RDJZCZTQSA-N 2 2 314.433 1.611 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000269420737 408302653 /nfs/dbraw/zinc/30/26/53/408302653.db2.gz LRAQGJFWGYNANK-OAHLLOKOSA-N 2 2 304.369 1.127 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000270852055 408709361 /nfs/dbraw/zinc/70/93/61/408709361.db2.gz PYPLUNBOGQOFKL-UHFFFAOYSA-N 2 2 309.417 1.881 20 30 DDEDLP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270852055 408709369 /nfs/dbraw/zinc/70/93/69/408709369.db2.gz PYPLUNBOGQOFKL-UHFFFAOYSA-N 2 2 309.417 1.881 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106941 409051085 /nfs/dbraw/zinc/05/10/85/409051085.db2.gz YDTWKAXGQIJZMO-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106941 409051087 /nfs/dbraw/zinc/05/10/87/409051087.db2.gz YDTWKAXGQIJZMO-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293106941 409051089 /nfs/dbraw/zinc/05/10/89/409051089.db2.gz YDTWKAXGQIJZMO-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293106941 409051092 /nfs/dbraw/zinc/05/10/92/409051092.db2.gz YDTWKAXGQIJZMO-SJLPKXTDSA-N 2 2 305.466 1.993 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000293919510 409206923 /nfs/dbraw/zinc/20/69/23/409206923.db2.gz GUTGRFYCWOLRGZ-UHFFFAOYSA-N 2 2 310.401 1.616 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000293919510 409206925 /nfs/dbraw/zinc/20/69/25/409206925.db2.gz GUTGRFYCWOLRGZ-UHFFFAOYSA-N 2 2 310.401 1.616 20 30 DDEDLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000329104669 410104361 /nfs/dbraw/zinc/10/43/61/410104361.db2.gz OBXSRPNBBXMCHA-CQSZACIVSA-N 2 2 312.458 1.085 20 30 DDEDLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000329104669 410104367 /nfs/dbraw/zinc/10/43/67/410104367.db2.gz OBXSRPNBBXMCHA-CQSZACIVSA-N 2 2 312.458 1.085 20 30 DDEDLP C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000348259729 410879030 /nfs/dbraw/zinc/87/90/30/410879030.db2.gz ALDFSHHDSIWZMM-KBRIMQKVSA-N 2 2 323.400 1.864 20 30 DDEDLP C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000348259729 410879035 /nfs/dbraw/zinc/87/90/35/410879035.db2.gz ALDFSHHDSIWZMM-KBRIMQKVSA-N 2 2 323.400 1.864 20 30 DDEDLP C#CC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000374095239 418487228 /nfs/dbraw/zinc/48/72/28/418487228.db2.gz DEOMDEMJDSVUDJ-MRXNPFEDSA-N 2 2 320.481 1.648 20 30 DDEDLP C=CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374468178 418533914 /nfs/dbraw/zinc/53/39/14/418533914.db2.gz CSFSPJNHNQERJP-CQSZACIVSA-N 2 2 306.454 1.515 20 30 DDEDLP C=CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000374468178 418533916 /nfs/dbraw/zinc/53/39/16/418533916.db2.gz CSFSPJNHNQERJP-CQSZACIVSA-N 2 2 306.454 1.515 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264153277 222326118 /nfs/dbraw/zinc/32/61/18/222326118.db2.gz ZSXOHMKLDWZLMM-ZBFHGGJFSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264153277 222326120 /nfs/dbraw/zinc/32/61/20/222326120.db2.gz ZSXOHMKLDWZLMM-ZBFHGGJFSA-N 2 2 304.438 1.590 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262460082 222282482 /nfs/dbraw/zinc/28/24/82/222282482.db2.gz MFOXAMHHCXGRKV-LBPRGKRZSA-N 2 2 314.393 1.111 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922676 222364608 /nfs/dbraw/zinc/36/46/08/222364608.db2.gz MHPIOYWXDIUERC-CZUORRHYSA-N 2 2 303.410 1.644 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922676 222364610 /nfs/dbraw/zinc/36/46/10/222364610.db2.gz MHPIOYWXDIUERC-CZUORRHYSA-N 2 2 303.410 1.644 20 30 DDEDLP CCCCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266998122 222366230 /nfs/dbraw/zinc/36/62/30/222366230.db2.gz FWVYQQCFEKRNAV-UHFFFAOYSA-N 2 2 320.437 1.692 20 30 DDEDLP C#CCC(CC#C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376760713 418700702 /nfs/dbraw/zinc/70/07/02/418700702.db2.gz NKEYHKCSHZTPJG-UHFFFAOYSA-N 2 2 315.461 1.324 20 30 DDEDLP C#CCCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362636703 418757235 /nfs/dbraw/zinc/75/72/35/418757235.db2.gz FWAGZEHAYVPCHX-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362636703 418757238 /nfs/dbraw/zinc/75/72/38/418757238.db2.gz FWAGZEHAYVPCHX-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411162537 418875038 /nfs/dbraw/zinc/87/50/38/418875038.db2.gz GVNSSXNITTXYCI-INIZCTEOSA-N 2 2 314.433 1.793 20 30 DDEDLP CCC(CC)[C@@H](C[NH+]=c1cc[nH]cc1C#N)[NH+]1CCOCC1 ZINC000548479737 421443850 /nfs/dbraw/zinc/44/38/50/421443850.db2.gz VCACBOVGKZXBGQ-QGZVFWFLSA-N 2 2 302.422 1.924 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1=O ZINC000541203178 421789034 /nfs/dbraw/zinc/78/90/34/421789034.db2.gz UZRYAHNYURKNBE-MRXNPFEDSA-N 2 2 323.400 1.573 20 30 DDEDLP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCOCC1 ZINC000262199219 295005540 /nfs/dbraw/zinc/00/55/40/295005540.db2.gz CXUPTALOCGVIMA-CQSZACIVSA-N 2 2 306.410 1.454 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000583880256 337375655 /nfs/dbraw/zinc/37/56/55/337375655.db2.gz RTAZFKPKUCVJHH-MRXNPFEDSA-N 2 2 323.481 1.400 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000576629435 341855800 /nfs/dbraw/zinc/85/58/00/341855800.db2.gz CXLLURHTKTXFFD-HYVNUMGLSA-N 2 2 304.438 1.787 20 30 DDEDLP Cc1c[nH+]c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccn12 ZINC000577385098 341907260 /nfs/dbraw/zinc/90/72/60/341907260.db2.gz KRUUPWYNNXKHDH-UHFFFAOYSA-N 2 2 313.405 1.950 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CC2)CC1 ZINC000330303195 534764037 /nfs/dbraw/zinc/76/40/37/534764037.db2.gz OZJICRVGMMTWLT-CQSZACIVSA-N 2 2 303.410 1.140 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)C(C)C)CC1 ZINC000490780698 526948362 /nfs/dbraw/zinc/94/83/62/526948362.db2.gz PJDSMJCVJHSZHE-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)C(C)C)CC1 ZINC000490780698 526948365 /nfs/dbraw/zinc/94/83/65/526948365.db2.gz PJDSMJCVJHSZHE-UHFFFAOYSA-N 2 2 319.474 1.736 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822026 695103297 /nfs/dbraw/zinc/10/32/97/695103297.db2.gz RQXXIEYMVRJHEK-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822026 695103300 /nfs/dbraw/zinc/10/33/00/695103300.db2.gz RQXXIEYMVRJHEK-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011398 695138830 /nfs/dbraw/zinc/13/88/30/695138830.db2.gz IHNUTPNNCQVQFS-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011398 695138832 /nfs/dbraw/zinc/13/88/32/695138832.db2.gz IHNUTPNNCQVQFS-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011398 695138834 /nfs/dbraw/zinc/13/88/34/695138834.db2.gz IHNUTPNNCQVQFS-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011398 695138836 /nfs/dbraw/zinc/13/88/36/695138836.db2.gz IHNUTPNNCQVQFS-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158213 695166137 /nfs/dbraw/zinc/16/61/37/695166137.db2.gz LSWJAXRXFLJDSQ-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972158213 695166138 /nfs/dbraw/zinc/16/61/38/695166138.db2.gz LSWJAXRXFLJDSQ-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972158213 695166139 /nfs/dbraw/zinc/16/61/39/695166139.db2.gz LSWJAXRXFLJDSQ-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972158213 695166140 /nfs/dbraw/zinc/16/61/40/695166140.db2.gz LSWJAXRXFLJDSQ-IAGOWNOFSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771385 695730966 /nfs/dbraw/zinc/73/09/66/695730966.db2.gz XVMQEVNQBUCDAO-OAHLLOKOSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771385 695730969 /nfs/dbraw/zinc/73/09/69/695730969.db2.gz XVMQEVNQBUCDAO-OAHLLOKOSA-N 2 2 318.421 1.200 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975050378 695785243 /nfs/dbraw/zinc/78/52/43/695785243.db2.gz URPVQWMFCHHSIO-IIAWOOMASA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975050378 695785245 /nfs/dbraw/zinc/78/52/45/695785245.db2.gz URPVQWMFCHHSIO-IIAWOOMASA-N 2 2 316.449 1.926 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981167598 697024541 /nfs/dbraw/zinc/02/45/41/697024541.db2.gz QXBKSQBPYUIYFW-LSDHHAIUSA-N 2 2 302.422 1.577 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987340137 698089904 /nfs/dbraw/zinc/08/99/04/698089904.db2.gz DFQXMVOBQFMGGN-DZGCQCFKSA-N 2 2 311.389 1.646 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638330 698703824 /nfs/dbraw/zinc/70/38/24/698703824.db2.gz IZMZXRPMPRQCAW-ZIAGYGMSSA-N 2 2 309.373 1.093 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468479 699330939 /nfs/dbraw/zinc/33/09/39/699330939.db2.gz CDPPHXLMNZBMRD-YXJHDRRASA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468479 699330942 /nfs/dbraw/zinc/33/09/42/699330942.db2.gz CDPPHXLMNZBMRD-YXJHDRRASA-N 2 2 314.433 1.745 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=S)Nc1ccccc1C#N ZINC000849280445 703631194 /nfs/dbraw/zinc/63/11/94/703631194.db2.gz VUEUFIXLORZAJY-UHFFFAOYSA-N 2 2 319.478 1.728 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)Nc1ccccc1C#N ZINC000849280445 703631195 /nfs/dbraw/zinc/63/11/95/703631195.db2.gz VUEUFIXLORZAJY-UHFFFAOYSA-N 2 2 319.478 1.728 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700488 706052537 /nfs/dbraw/zinc/05/25/37/706052537.db2.gz VCTFGEHZGBKAJL-GOSISDBHSA-N 2 2 314.429 1.730 20 30 DDEDLP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700488 706052556 /nfs/dbraw/zinc/05/25/56/706052556.db2.gz VCTFGEHZGBKAJL-GOSISDBHSA-N 2 2 314.429 1.730 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926864457 712914261 /nfs/dbraw/zinc/91/42/61/712914261.db2.gz HBBIRGWDUGJEDD-IRXDYDNUSA-N 2 2 322.497 1.701 20 30 DDEDLP C=CCC[C@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000883180515 707949510 /nfs/dbraw/zinc/94/95/10/707949510.db2.gz DQTYVYNCOAQBST-GOSISDBHSA-N 2 2 315.461 1.928 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000887606634 709081196 /nfs/dbraw/zinc/08/11/96/709081196.db2.gz GTTCZEBSUMWETC-HUUCEWRRSA-N 2 2 318.421 1.279 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000887606634 709081197 /nfs/dbraw/zinc/08/11/97/709081197.db2.gz GTTCZEBSUMWETC-HUUCEWRRSA-N 2 2 318.421 1.279 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000890372347 709844733 /nfs/dbraw/zinc/84/47/33/709844733.db2.gz HVPMVNNGGDOZDB-HNNXBMFYSA-N 2 2 315.421 1.327 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000890372347 709844739 /nfs/dbraw/zinc/84/47/39/709844739.db2.gz HVPMVNNGGDOZDB-HNNXBMFYSA-N 2 2 315.421 1.327 20 30 DDEDLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(C)c1C#N ZINC000912386946 711305582 /nfs/dbraw/zinc/30/55/82/711305582.db2.gz LLOCZPLNGOLMCW-UHFFFAOYSA-N 2 2 316.449 1.788 20 30 DDEDLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(C)c1C#N ZINC000912386946 711305584 /nfs/dbraw/zinc/30/55/84/711305584.db2.gz LLOCZPLNGOLMCW-UHFFFAOYSA-N 2 2 316.449 1.788 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000928647922 713249603 /nfs/dbraw/zinc/24/96/03/713249603.db2.gz BILUAUFDCFZCFR-MRXNPFEDSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000928647922 713249604 /nfs/dbraw/zinc/24/96/04/713249604.db2.gz BILUAUFDCFZCFR-MRXNPFEDSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000931554232 714126913 /nfs/dbraw/zinc/12/69/13/714126913.db2.gz MTDDNVNHOPROMQ-UHFFFAOYSA-N 2 2 311.389 1.862 20 30 DDEDLP C#CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC[NH+](C)CC1 ZINC000922925118 714188324 /nfs/dbraw/zinc/18/83/24/714188324.db2.gz KIDQJVSUHAALAI-UHFFFAOYSA-N 2 2 314.433 1.937 20 30 DDEDLP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924965009 714709711 /nfs/dbraw/zinc/70/97/11/714709711.db2.gz MTOMQQAKSJMWDY-PBHICJAKSA-N 2 2 316.449 1.940 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960664749 716650941 /nfs/dbraw/zinc/65/09/41/716650941.db2.gz WURSPMDEESKXRU-AIANPOQGSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960664749 716650943 /nfs/dbraw/zinc/65/09/43/716650943.db2.gz WURSPMDEESKXRU-AIANPOQGSA-N 2 2 314.433 1.458 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290030 716897742 /nfs/dbraw/zinc/89/77/42/716897742.db2.gz ZLPTYINFISCLQT-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290030 716897745 /nfs/dbraw/zinc/89/77/45/716897745.db2.gz ZLPTYINFISCLQT-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942064429 717459758 /nfs/dbraw/zinc/45/97/58/717459758.db2.gz RRQYZESXQKGMOQ-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942064429 717459762 /nfs/dbraw/zinc/45/97/62/717459762.db2.gz RRQYZESXQKGMOQ-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402548 718871301 /nfs/dbraw/zinc/87/13/01/718871301.db2.gz SPIXYNHMJBAVFO-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402548 718871305 /nfs/dbraw/zinc/87/13/05/718871305.db2.gz SPIXYNHMJBAVFO-GOEBONIOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452910 719506752 /nfs/dbraw/zinc/50/67/52/719506752.db2.gz SZIROAOEZXFSKA-RBSFLKMASA-N 2 2 300.406 1.459 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452910 719506757 /nfs/dbraw/zinc/50/67/57/719506757.db2.gz SZIROAOEZXFSKA-RBSFLKMASA-N 2 2 300.406 1.459 20 30 DDEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968914474 719865384 /nfs/dbraw/zinc/86/53/84/719865384.db2.gz VNLDVARMWPDCIC-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000968914474 719865392 /nfs/dbraw/zinc/86/53/92/719865392.db2.gz VNLDVARMWPDCIC-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925439 719875054 /nfs/dbraw/zinc/87/50/54/719875054.db2.gz DHMWURZFWOIBRK-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992304 720589271 /nfs/dbraw/zinc/58/92/71/720589271.db2.gz KKJMIIXIEAIRFF-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969994364 720590667 /nfs/dbraw/zinc/59/06/67/720590667.db2.gz XTOKPZDVCGDBAK-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970682687 720886514 /nfs/dbraw/zinc/88/65/14/720886514.db2.gz CIKRWTFGUMTDJX-ZDUSSCGKSA-N 2 2 311.389 1.503 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633079 733386827 /nfs/dbraw/zinc/38/68/27/733386827.db2.gz ONOYJPQPEZKBGN-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633079 733386830 /nfs/dbraw/zinc/38/68/30/733386830.db2.gz ONOYJPQPEZKBGN-CVEARBPZSA-N 2 2 322.412 1.894 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700679 733464017 /nfs/dbraw/zinc/46/40/17/733464017.db2.gz RXUPICCXOYNMPZ-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021700679 733464019 /nfs/dbraw/zinc/46/40/19/733464019.db2.gz RXUPICCXOYNMPZ-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447649 735236072 /nfs/dbraw/zinc/23/60/72/735236072.db2.gz SKNVFEANLZJIFP-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447649 735236076 /nfs/dbraw/zinc/23/60/76/735236076.db2.gz SKNVFEANLZJIFP-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516796 735893853 /nfs/dbraw/zinc/89/38/53/735893853.db2.gz NWRLBXDNQPAAHA-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516796 735893855 /nfs/dbraw/zinc/89/38/55/735893855.db2.gz NWRLBXDNQPAAHA-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516573 735894339 /nfs/dbraw/zinc/89/43/39/735894339.db2.gz LJQDTDHJVQUHOP-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516573 735894344 /nfs/dbraw/zinc/89/43/44/735894344.db2.gz LJQDTDHJVQUHOP-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087319284 736084832 /nfs/dbraw/zinc/08/48/32/736084832.db2.gz LLIUENMKYVZZDR-KBMXLJTQSA-N 2 2 302.422 1.674 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001087319284 736084834 /nfs/dbraw/zinc/08/48/34/736084834.db2.gz LLIUENMKYVZZDR-KBMXLJTQSA-N 2 2 302.422 1.674 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]12 ZINC001026408469 737498907 /nfs/dbraw/zinc/49/89/07/737498907.db2.gz DKRRRMAYNASWRK-VNQPRFMTSA-N 2 2 302.422 1.365 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468776 738322596 /nfs/dbraw/zinc/32/25/96/738322596.db2.gz OPEDKUNWBQYKET-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468776 738322600 /nfs/dbraw/zinc/32/26/00/738322600.db2.gz OPEDKUNWBQYKET-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028244229 739221159 /nfs/dbraw/zinc/22/11/59/739221159.db2.gz WUALOMYFCOEWLR-HNNXBMFYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001028244229 739221162 /nfs/dbraw/zinc/22/11/62/739221162.db2.gz WUALOMYFCOEWLR-HNNXBMFYSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=C)Cl)CC1 ZINC001028333211 739366691 /nfs/dbraw/zinc/36/66/91/739366691.db2.gz GDCQLANGPSRWGX-MRXNPFEDSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)Cl)CC1 ZINC001028333211 739366696 /nfs/dbraw/zinc/36/66/96/739366696.db2.gz GDCQLANGPSRWGX-MRXNPFEDSA-N 2 2 323.868 1.665 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796762 740053090 /nfs/dbraw/zinc/05/30/90/740053090.db2.gz GGIJBFPDCQVEOO-KGLIPLIRSA-N 2 2 300.406 1.291 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796762 740053095 /nfs/dbraw/zinc/05/30/95/740053095.db2.gz GGIJBFPDCQVEOO-KGLIPLIRSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783463 740750540 /nfs/dbraw/zinc/75/05/40/740750540.db2.gz BOELNJVHLTUVAF-DOTOQJQBSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783463 740750544 /nfs/dbraw/zinc/75/05/44/740750544.db2.gz BOELNJVHLTUVAF-DOTOQJQBSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001037959988 751594734 /nfs/dbraw/zinc/59/47/34/751594734.db2.gz BQXUNAONHUNFBH-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088413411 741472575 /nfs/dbraw/zinc/47/25/75/741472575.db2.gz FWDQCBJLFHGQAG-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679150 742072191 /nfs/dbraw/zinc/07/21/91/742072191.db2.gz HJTDPVUGVBIACC-YCPHGPKFSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679150 742072195 /nfs/dbraw/zinc/07/21/95/742072195.db2.gz HJTDPVUGVBIACC-YCPHGPKFSA-N 2 2 300.406 1.048 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183771798 743901174 /nfs/dbraw/zinc/90/11/74/743901174.db2.gz ASLAKYZWJZCNKG-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030316174 744044784 /nfs/dbraw/zinc/04/47/84/744044784.db2.gz ZDJGQHWFCUMADE-HNNXBMFYSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030316174 744044786 /nfs/dbraw/zinc/04/47/86/744044786.db2.gz ZDJGQHWFCUMADE-HNNXBMFYSA-N 2 2 303.450 1.465 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184653920 744078706 /nfs/dbraw/zinc/07/87/06/744078706.db2.gz UCIQQQMFZLYIBG-GJZGRUSLSA-N 2 2 317.433 1.893 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185503593 744238387 /nfs/dbraw/zinc/23/83/87/744238387.db2.gz RMTLRVGNZVNZGT-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788551 744286137 /nfs/dbraw/zinc/28/61/37/744286137.db2.gz ONRHNHXBRVTTOW-HOTGVXAUSA-N 2 2 302.422 1.371 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991209 744541454 /nfs/dbraw/zinc/54/14/54/744541454.db2.gz PWEGOKHLVBOPSO-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991209 744541457 /nfs/dbraw/zinc/54/14/57/744541457.db2.gz PWEGOKHLVBOPSO-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001188072031 744655923 /nfs/dbraw/zinc/65/59/23/744655923.db2.gz DMZPHROAJVWJQC-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001188072031 744655924 /nfs/dbraw/zinc/65/59/24/744655924.db2.gz DMZPHROAJVWJQC-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP C[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000176397901 744895563 /nfs/dbraw/zinc/89/55/63/744895563.db2.gz IAPSRNHEFFQLBV-HNNXBMFYSA-N 2 2 308.401 1.341 20 30 DDEDLP C[N@@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000176397901 744895570 /nfs/dbraw/zinc/89/55/70/744895570.db2.gz IAPSRNHEFFQLBV-HNNXBMFYSA-N 2 2 308.401 1.341 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678073 745895091 /nfs/dbraw/zinc/89/50/91/745895091.db2.gz WRQOAOPYIPAARV-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539534 747172585 /nfs/dbraw/zinc/17/25/85/747172585.db2.gz MBRKVMGZRXMJID-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539534 747172591 /nfs/dbraw/zinc/17/25/91/747172591.db2.gz MBRKVMGZRXMJID-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360597 747321321 /nfs/dbraw/zinc/32/13/21/747321321.db2.gz YXMTUCQBQXWEOR-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360597 747321325 /nfs/dbraw/zinc/32/13/25/747321325.db2.gz YXMTUCQBQXWEOR-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096797 748248510 /nfs/dbraw/zinc/24/85/10/748248510.db2.gz NKOYRUVMFIKRJB-HNNXBMFYSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096797 748248515 /nfs/dbraw/zinc/24/85/15/748248515.db2.gz NKOYRUVMFIKRJB-HNNXBMFYSA-N 2 2 302.422 1.481 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC001036239700 752287919 /nfs/dbraw/zinc/28/79/19/752287919.db2.gz HBEVLOCTQVHQNG-MAUKXSAKSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089882098 748673436 /nfs/dbraw/zinc/67/34/36/748673436.db2.gz VHTNOEUQMLOSAX-JJXSEGSLSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089882098 748673440 /nfs/dbraw/zinc/67/34/40/748673440.db2.gz VHTNOEUQMLOSAX-JJXSEGSLSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203805 748906213 /nfs/dbraw/zinc/90/62/13/748906213.db2.gz SZEOGXUDGQTRSX-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203805 748906215 /nfs/dbraw/zinc/90/62/15/748906215.db2.gz SZEOGXUDGQTRSX-GOEBONIOSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413164 749309039 /nfs/dbraw/zinc/30/90/39/749309039.db2.gz DFZHZOSDDQVMQN-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033413164 749309042 /nfs/dbraw/zinc/30/90/42/749309042.db2.gz DFZHZOSDDQVMQN-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996733384 750004331 /nfs/dbraw/zinc/00/43/31/750004331.db2.gz UECWQMVNOLYYFE-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640859 750102821 /nfs/dbraw/zinc/10/28/21/750102821.db2.gz HTBDPDCFHJHMAO-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640859 750102825 /nfs/dbraw/zinc/10/28/25/750102825.db2.gz HTBDPDCFHJHMAO-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465009 762055495 /nfs/dbraw/zinc/05/54/95/762055495.db2.gz IXCZPKWBORUYDP-WBVHZDCISA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465009 762055505 /nfs/dbraw/zinc/05/55/05/762055505.db2.gz IXCZPKWBORUYDP-WBVHZDCISA-N 2 2 316.449 1.994 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997630071 751167290 /nfs/dbraw/zinc/16/72/90/751167290.db2.gz LPKGERUHVGCVBU-NUEKZKHPSA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997630071 751167295 /nfs/dbraw/zinc/16/72/95/751167295.db2.gz LPKGERUHVGCVBU-NUEKZKHPSA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035249786 751331052 /nfs/dbraw/zinc/33/10/52/751331052.db2.gz DHRISEPFNUBUCT-UHFFFAOYSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035249786 751331057 /nfs/dbraw/zinc/33/10/57/751331057.db2.gz DHRISEPFNUBUCT-UHFFFAOYSA-N 2 2 314.433 1.598 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999008476 752432723 /nfs/dbraw/zinc/43/27/23/752432723.db2.gz YDMCJBXSOHMKDD-NFOMZHRRSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008581917 752811681 /nfs/dbraw/zinc/81/16/81/752811681.db2.gz 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763881663 /nfs/dbraw/zinc/88/16/63/763881663.db2.gz WCSCEGCSICJNCD-AWEZNQCLSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001043887775 765150377 /nfs/dbraw/zinc/15/03/77/765150377.db2.gz SLESAGNXVMCOCC-CQSZACIVSA-N 2 2 302.422 1.473 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001044606756 765694714 /nfs/dbraw/zinc/69/47/14/765694714.db2.gz HTCSMOCPXRCAKS-HUUCEWRRSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052504511 765896075 /nfs/dbraw/zinc/89/60/75/765896075.db2.gz HNQJZBVEYQBZKS-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052504511 765896078 /nfs/dbraw/zinc/89/60/78/765896078.db2.gz HNQJZBVEYQBZKS-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045481441 766338545 /nfs/dbraw/zinc/33/85/45/766338545.db2.gz ZJEYKVDTZIXOFN-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046607552 767733904 /nfs/dbraw/zinc/73/39/04/767733904.db2.gz AJGFZEAUQOFKNR-GUYCJALGSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046607552 767733909 /nfs/dbraw/zinc/73/39/09/767733909.db2.gz AJGFZEAUQOFKNR-GUYCJALGSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364032 769748909 /nfs/dbraw/zinc/74/89/09/769748909.db2.gz RLJSBHJXLGNYBN-DLBZAZTESA-N 2 2 316.449 1.761 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#CC ZINC001049528262 770981055 /nfs/dbraw/zinc/98/10/55/770981055.db2.gz CTYLMBMIPAYWPS-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC#CC ZINC001049528262 770981062 /nfs/dbraw/zinc/98/10/62/770981062.db2.gz CTYLMBMIPAYWPS-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC#CC ZINC001049528262 770981069 /nfs/dbraw/zinc/98/10/69/770981069.db2.gz CTYLMBMIPAYWPS-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC#CC ZINC001049528262 770981077 /nfs/dbraw/zinc/98/10/77/770981077.db2.gz CTYLMBMIPAYWPS-SQNIBIBYSA-N 2 2 313.445 1.173 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001049529407 770983646 /nfs/dbraw/zinc/98/36/46/770983646.db2.gz MBNCXNGTARSUOR-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=C)C ZINC001049529407 770983655 /nfs/dbraw/zinc/98/36/55/770983655.db2.gz MBNCXNGTARSUOR-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(=C)C ZINC001049529407 770983663 /nfs/dbraw/zinc/98/36/63/770983663.db2.gz MBNCXNGTARSUOR-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(=C)C ZINC001049529407 770983671 /nfs/dbraw/zinc/98/36/71/770983671.db2.gz MBNCXNGTARSUOR-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049529801 770984534 /nfs/dbraw/zinc/98/45/34/770984534.db2.gz RZTHDVFZPGYSFF-KURKYZTESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049529801 770984541 /nfs/dbraw/zinc/98/45/41/770984541.db2.gz RZTHDVFZPGYSFF-KURKYZTESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049529801 770984547 /nfs/dbraw/zinc/98/45/47/770984547.db2.gz RZTHDVFZPGYSFF-KURKYZTESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049529801 770984552 /nfs/dbraw/zinc/98/45/52/770984552.db2.gz RZTHDVFZPGYSFF-KURKYZTESA-N 2 2 315.461 1.559 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049736764 771122659 /nfs/dbraw/zinc/12/26/59/771122659.db2.gz MNDPPPRBWCAGOL-LVQVYYBASA-N 2 2 314.433 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049736764 771122660 /nfs/dbraw/zinc/12/26/60/771122660.db2.gz MNDPPPRBWCAGOL-LVQVYYBASA-N 2 2 314.433 1.775 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750563 771131340 /nfs/dbraw/zinc/13/13/40/771131340.db2.gz MBNWVKSHLPAAGN-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750563 771131342 /nfs/dbraw/zinc/13/13/42/771131342.db2.gz MBNWVKSHLPAAGN-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001086913513 773714935 /nfs/dbraw/zinc/71/49/35/773714935.db2.gz RFUQESPHHSPUKT-HZPDHXFCSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001086913513 773714945 /nfs/dbraw/zinc/71/49/45/773714945.db2.gz RFUQESPHHSPUKT-HZPDHXFCSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747859 774247409 /nfs/dbraw/zinc/24/74/09/774247409.db2.gz IRJPZOHXYBYVLH-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747859 774247413 /nfs/dbraw/zinc/24/74/13/774247413.db2.gz IRJPZOHXYBYVLH-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907610 774715360 /nfs/dbraw/zinc/71/53/60/774715360.db2.gz GVDIQFGGENSQIY-VKJFTORMSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907610 774715362 /nfs/dbraw/zinc/71/53/62/774715362.db2.gz GVDIQFGGENSQIY-VKJFTORMSA-N 2 2 312.417 1.049 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829746 774827105 /nfs/dbraw/zinc/82/71/05/774827105.db2.gz KSXUJGZTWYSGCW-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829746 774827111 /nfs/dbraw/zinc/82/71/11/774827111.db2.gz KSXUJGZTWYSGCW-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080951 775655735 /nfs/dbraw/zinc/65/57/35/775655735.db2.gz ODQHZXBQQMMPJD-UONOGXRCSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080951 775655740 /nfs/dbraw/zinc/65/57/40/775655740.db2.gz ODQHZXBQQMMPJD-UONOGXRCSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910347 776076509 /nfs/dbraw/zinc/07/65/09/776076509.db2.gz RXCRTFAOZVGMRD-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910347 776076518 /nfs/dbraw/zinc/07/65/18/776076518.db2.gz RXCRTFAOZVGMRD-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604140 776365396 /nfs/dbraw/zinc/36/53/96/776365396.db2.gz GHZTVEMDSUZZHS-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171607159 776368196 /nfs/dbraw/zinc/36/81/96/776368196.db2.gz ZNYPUTFOSLQCCO-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccnc2)CC1 ZINC001204077508 776507188 /nfs/dbraw/zinc/50/71/88/776507188.db2.gz ALDQCYWIEQIAPU-UHFFFAOYSA-N 2 2 300.450 1.873 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039374 776848185 /nfs/dbraw/zinc/84/81/85/776848185.db2.gz IUZGCCXXKNVCEE-BDVYOWHSSA-N 2 2 316.449 1.745 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067922 777055452 /nfs/dbraw/zinc/05/54/52/777055452.db2.gz PZKRWUBOHVHBQI-MJBXVCDLSA-N 2 2 308.813 1.605 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638290 777852802 /nfs/dbraw/zinc/85/28/02/777852802.db2.gz NTKHACMPDOPXMB-LSDHHAIUSA-N 2 2 304.438 1.876 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638290 777852812 /nfs/dbraw/zinc/85/28/12/777852812.db2.gz NTKHACMPDOPXMB-LSDHHAIUSA-N 2 2 304.438 1.876 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110194837 778135732 /nfs/dbraw/zinc/13/57/32/778135732.db2.gz DMGDWPGCTPPNLS-WCVJEAGWSA-N 2 2 302.422 1.959 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110194837 778135734 /nfs/dbraw/zinc/13/57/34/778135734.db2.gz DMGDWPGCTPPNLS-WCVJEAGWSA-N 2 2 302.422 1.959 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001177043273 778406423 /nfs/dbraw/zinc/40/64/23/778406423.db2.gz WBQGJFPHCLZVIM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001177043273 778406424 /nfs/dbraw/zinc/40/64/24/778406424.db2.gz WBQGJFPHCLZVIM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177043273 778406425 /nfs/dbraw/zinc/40/64/25/778406425.db2.gz WBQGJFPHCLZVIM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177043273 778406426 /nfs/dbraw/zinc/40/64/26/778406426.db2.gz WBQGJFPHCLZVIM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018762 779247272 /nfs/dbraw/zinc/24/72/72/779247272.db2.gz HRDFRCBHOCTECK-XHSDSOJGSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022673 779249913 /nfs/dbraw/zinc/24/99/13/779249913.db2.gz RVUIAMAMUCISEN-ZOBUZTSGSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180032914 779597979 /nfs/dbraw/zinc/59/79/79/779597979.db2.gz JLXKUICITSBVHQ-HOCLYGCPSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267142188 837410385 /nfs/dbraw/zinc/41/03/85/837410385.db2.gz QPVMEQMDEOGNRK-RDJZCZTQSA-N 2 2 321.465 1.138 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267142188 837410395 /nfs/dbraw/zinc/41/03/95/837410395.db2.gz QPVMEQMDEOGNRK-RDJZCZTQSA-N 2 2 321.465 1.138 20 30 DDEDLP CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266847215 836924461 /nfs/dbraw/zinc/92/44/61/836924461.db2.gz ZGWCHTLJJXWNOT-UHFFFAOYSA-N 2 2 314.364 1.191 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266897143 837021068 /nfs/dbraw/zinc/02/10/68/837021068.db2.gz LYFLVYIEOXRKAF-DZGCQCFKSA-N 2 2 302.422 1.501 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266897143 837021078 /nfs/dbraw/zinc/02/10/78/837021078.db2.gz LYFLVYIEOXRKAF-DZGCQCFKSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001267092342 837327332 /nfs/dbraw/zinc/32/73/32/837327332.db2.gz AEYZZSAYYYZXTM-HZPDHXFCSA-N 2 2 302.422 1.704 20 30 DDEDLP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268107712 839696153 /nfs/dbraw/zinc/69/61/53/839696153.db2.gz CZNVTDBQJWTRGR-CVEARBPZSA-N 2 2 316.449 1.589 20 30 DDEDLP C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268319454 839992991 /nfs/dbraw/zinc/99/29/91/839992991.db2.gz XYKXBGGDPSJLPH-INIZCTEOSA-N 2 2 314.389 1.129 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001272090925 844588551 /nfs/dbraw/zinc/58/85/51/844588551.db2.gz KPKKKJMWLFQUIK-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001272090925 844588558 /nfs/dbraw/zinc/58/85/58/844588558.db2.gz KPKKKJMWLFQUIK-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001269861899 842112569 /nfs/dbraw/zinc/11/25/69/842112569.db2.gz OCZDCWBQGCURIA-NVXWUHKLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001269861899 842112573 /nfs/dbraw/zinc/11/25/73/842112573.db2.gz OCZDCWBQGCURIA-NVXWUHKLSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC=C)CC1 ZINC001270320646 842486819 /nfs/dbraw/zinc/48/68/19/842486819.db2.gz FWVFEISPAPITAU-UHFFFAOYSA-N 2 2 300.406 1.455 20 30 DDEDLP C=CCOCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001270869653 842990663 /nfs/dbraw/zinc/99/06/63/842990663.db2.gz CLALDZQHQWZOSU-UHFFFAOYSA-N 2 2 318.421 1.010 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCCC1 ZINC001271353177 843516703 /nfs/dbraw/zinc/51/67/03/843516703.db2.gz ARMVHCFWBGNNBF-MRXNPFEDSA-N 2 2 302.422 1.549 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001271686502 843781474 /nfs/dbraw/zinc/78/14/74/843781474.db2.gz KEFROYNCUVVBOI-JKSUJKDBSA-N 2 2 302.422 1.513 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997082081 847298661 /nfs/dbraw/zinc/29/86/61/847298661.db2.gz BPMFFIQOXZFUFQ-LLVKDONJSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997082081 847298671 /nfs/dbraw/zinc/29/86/71/847298671.db2.gz BPMFFIQOXZFUFQ-LLVKDONJSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001326990259 861778098 /nfs/dbraw/zinc/77/80/98/861778098.db2.gz MGXZJYGATQGCFD-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001326990259 861778105 /nfs/dbraw/zinc/77/81/05/861778105.db2.gz MGXZJYGATQGCFD-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275302 848224123 /nfs/dbraw/zinc/22/41/23/848224123.db2.gz FRWOVZGXAWCXLS-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275302 848224127 /nfs/dbraw/zinc/22/41/27/848224127.db2.gz FRWOVZGXAWCXLS-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275299 848224865 /nfs/dbraw/zinc/22/48/65/848224865.db2.gz FRWOVZGXAWCXLS-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275299 848224876 /nfs/dbraw/zinc/22/48/76/848224876.db2.gz FRWOVZGXAWCXLS-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001327225652 861978386 /nfs/dbraw/zinc/97/83/86/861978386.db2.gz PYDFFYDJDWLXDO-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001327225652 861978389 /nfs/dbraw/zinc/97/83/89/861978389.db2.gz PYDFFYDJDWLXDO-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001273437129 850408627 /nfs/dbraw/zinc/40/86/27/850408627.db2.gz IXHATSYGWWEZFV-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001273437129 850408634 /nfs/dbraw/zinc/40/86/34/850408634.db2.gz IXHATSYGWWEZFV-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001327511405 862231367 /nfs/dbraw/zinc/23/13/67/862231367.db2.gz FUHWNJUJKJXLKC-SFHVURJKSA-N 2 2 313.445 1.811 20 30 DDEDLP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001327511405 862231382 /nfs/dbraw/zinc/23/13/82/862231382.db2.gz FUHWNJUJKJXLKC-SFHVURJKSA-N 2 2 313.445 1.811 20 30 DDEDLP Cc1c[nH+]c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(/C=N/O)c1 ZINC001155599749 862277376 /nfs/dbraw/zinc/27/73/76/862277376.db2.gz SKADFBFLTVBIRX-QEJCVBHNSA-N 2 2 304.394 1.769 20 30 DDEDLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275416546 853092963 /nfs/dbraw/zinc/09/29/63/853092963.db2.gz WNHYYEMIAJXAEZ-HZPDHXFCSA-N 2 2 324.428 1.877 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857344 857809442 /nfs/dbraw/zinc/80/94/42/857809442.db2.gz UWEGTPMKEPEUEC-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857344 857809448 /nfs/dbraw/zinc/80/94/48/857809448.db2.gz UWEGTPMKEPEUEC-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153273 863614496 /nfs/dbraw/zinc/61/44/96/863614496.db2.gz GNWPAUUXLSHZHI-ZBFHGGJFSA-N 2 2 302.422 1.144 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083034 864395051 /nfs/dbraw/zinc/39/50/51/864395051.db2.gz CUYJRXXVFDKGND-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083034 864395063 /nfs/dbraw/zinc/39/50/63/864395063.db2.gz CUYJRXXVFDKGND-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331294209 864993999 /nfs/dbraw/zinc/99/39/99/864993999.db2.gz IGKNJSLVUMMABH-HZPDHXFCSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001332710633 866085721 /nfs/dbraw/zinc/08/57/21/866085721.db2.gz ILIUGXWYAJFMOH-HNNXBMFYSA-N 2 2 304.438 1.800 20 30 DDEDLP C=CC[N@H+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001332710633 866085731 /nfs/dbraw/zinc/08/57/31/866085731.db2.gz ILIUGXWYAJFMOH-HNNXBMFYSA-N 2 2 304.438 1.800 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001333005528 866331916 /nfs/dbraw/zinc/33/19/16/866331916.db2.gz VBNUNWXAVIYUAZ-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301677 866506657 /nfs/dbraw/zinc/50/66/57/866506657.db2.gz WHOUNHXQUZTEQO-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704884 866910913 /nfs/dbraw/zinc/91/09/13/866910913.db2.gz IYDTYKSAZOWQRL-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161704884 866910920 /nfs/dbraw/zinc/91/09/20/866910920.db2.gz IYDTYKSAZOWQRL-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001324481710 867303950 /nfs/dbraw/zinc/30/39/50/867303950.db2.gz HQXWXUNUBMPJAU-WBVHZDCISA-N 2 2 316.449 1.896 20 30 DDEDLP COCC#CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910356 867913239 /nfs/dbraw/zinc/91/32/39/867913239.db2.gz MAQSNAMAGDCZQE-UHFFFAOYSA-N 2 2 303.406 1.366 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317057429 870179490 /nfs/dbraw/zinc/17/94/90/870179490.db2.gz FLMPXMMYSBCLRY-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001276439701 870926897 /nfs/dbraw/zinc/92/68/97/870926897.db2.gz JBLIAFSUHRETCR-KGLIPLIRSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001276439701 870926903 /nfs/dbraw/zinc/92/69/03/870926903.db2.gz JBLIAFSUHRETCR-KGLIPLIRSA-N 2 2 304.438 1.991 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526924 870995515 /nfs/dbraw/zinc/99/55/15/870995515.db2.gz MRUFPQIVVJUEJI-IRXDYDNUSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526924 870995522 /nfs/dbraw/zinc/99/55/22/870995522.db2.gz MRUFPQIVVJUEJI-IRXDYDNUSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537259 871618189 /nfs/dbraw/zinc/61/81/89/871618189.db2.gz MBTCBCOBYRWCAL-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899621 875588135 /nfs/dbraw/zinc/58/81/35/875588135.db2.gz MNRBXDRTVLCFGG-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001378921555 875916447 /nfs/dbraw/zinc/91/64/47/875916447.db2.gz LFTXLGLBTVNEPG-OCCSQVGLSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500026 875955485 /nfs/dbraw/zinc/95/54/85/875955485.db2.gz JUZKMROCHYUTFQ-ARFHVFGLSA-N 2 2 320.437 1.616 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500026 875955487 /nfs/dbraw/zinc/95/54/87/875955487.db2.gz JUZKMROCHYUTFQ-ARFHVFGLSA-N 2 2 320.437 1.616 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001472959756 878496492 /nfs/dbraw/zinc/49/64/92/878496492.db2.gz FRXQFOVVCAUQSM-MRXNPFEDSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001472959756 878496496 /nfs/dbraw/zinc/49/64/96/878496496.db2.gz FRXQFOVVCAUQSM-MRXNPFEDSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@@H](O)C1 ZINC001220746912 879225602 /nfs/dbraw/zinc/22/56/02/879225602.db2.gz RMYJNRAJFIFKBW-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@@H](O)C1 ZINC001220746912 879225616 /nfs/dbraw/zinc/22/56/16/879225616.db2.gz RMYJNRAJFIFKBW-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746912 879225631 /nfs/dbraw/zinc/22/56/31/879225631.db2.gz RMYJNRAJFIFKBW-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746912 879225648 /nfs/dbraw/zinc/22/56/48/879225648.db2.gz RMYJNRAJFIFKBW-IXDOHACOSA-N 2 2 317.433 1.027 20 30 DDEDLP N#Cc1ccc(Cl)c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222094997 880241254 /nfs/dbraw/zinc/24/12/54/880241254.db2.gz LKDMEJGNTITNAN-UHFFFAOYSA-N 2 2 304.825 1.739 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223044011 880800001 /nfs/dbraw/zinc/80/00/01/880800001.db2.gz XTTJJSSOFDCDIJ-UHFFFAOYSA-N 2 2 310.829 1.923 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)ccc3O)CC2)CC1 ZINC001232675681 886528283 /nfs/dbraw/zinc/52/82/83/886528283.db2.gz CQQUSUDSTRTBPE-UHFFFAOYSA-N 2 2 314.433 1.476 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001277883881 888193643 /nfs/dbraw/zinc/19/36/43/888193643.db2.gz RSRCDMPPASFJTR-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246704312 892797200 /nfs/dbraw/zinc/79/72/00/892797200.db2.gz QKAMNICPKQAKJB-IXEWLPCDSA-N 2 2 303.450 1.770 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246704312 892797211 /nfs/dbraw/zinc/79/72/11/892797211.db2.gz QKAMNICPKQAKJB-IXEWLPCDSA-N 2 2 303.450 1.770 20 30 DDEDLP C#CC[C@@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247609096 893249874 /nfs/dbraw/zinc/24/98/74/893249874.db2.gz DWVJMIMXISDLJM-OAHLLOKOSA-N 2 2 311.389 1.512 20 30 DDEDLP C#CC[C@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247609579 893251256 /nfs/dbraw/zinc/25/12/56/893251256.db2.gz KQTVLKPYMFEYOZ-AWEZNQCLSA-N 2 2 311.389 1.512 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001278973587 897621960 /nfs/dbraw/zinc/62/19/60/897621960.db2.gz VSZPGDFYPWKACX-INIZCTEOSA-N 2 2 317.433 1.777 20 30 DDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001367737179 897632010 /nfs/dbraw/zinc/63/20/10/897632010.db2.gz JDFQCDQXFSPBIA-APHBMKBZSA-N 2 2 323.400 1.679 20 30 DDEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001367737179 897632015 /nfs/dbraw/zinc/63/20/15/897632015.db2.gz JDFQCDQXFSPBIA-APHBMKBZSA-N 2 2 323.400 1.679 20 30 DDEDLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256962296 897647297 /nfs/dbraw/zinc/64/72/97/897647297.db2.gz GHMCSKZJZMLLGA-HOAMVYINSA-N 2 2 308.426 1.605 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012188 897835083 /nfs/dbraw/zinc/83/50/83/897835083.db2.gz KDEJLEYQVBEUSV-LSDHHAIUSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012806 897837550 /nfs/dbraw/zinc/83/75/50/897837550.db2.gz RIQIHWKODPKANT-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001265005974 901424793 /nfs/dbraw/zinc/42/47/93/901424793.db2.gz RACBVBSZZGKQPC-UHFFFAOYSA-N 2 2 314.817 1.540 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001265005974 901424804 /nfs/dbraw/zinc/42/48/04/901424804.db2.gz RACBVBSZZGKQPC-UHFFFAOYSA-N 2 2 314.817 1.540 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266222960 903142645 /nfs/dbraw/zinc/14/26/45/903142645.db2.gz HIVJTIQLKBPFRQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266222960 903142653 /nfs/dbraw/zinc/14/26/53/903142653.db2.gz HIVJTIQLKBPFRQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001280275014 903576122 /nfs/dbraw/zinc/57/61/22/903576122.db2.gz VNYWFBFOABBEMM-CYBMUJFWSA-N 2 2 310.829 1.841 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001284102973 908479370 /nfs/dbraw/zinc/47/93/70/908479370.db2.gz QOBGBVXAFBVQSU-HRCADAONSA-N 2 2 302.422 1.676 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397601487 916465903 /nfs/dbraw/zinc/46/59/03/916465903.db2.gz FTPYWQBQEGSKOK-AKAXFMLLSA-N 2 2 323.400 1.508 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000081645318 353685517 /nfs/dbraw/zinc/68/55/17/353685517.db2.gz GHVJYBSMJAKXMA-HNNXBMFYSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000081645318 353685518 /nfs/dbraw/zinc/68/55/18/353685518.db2.gz GHVJYBSMJAKXMA-HNNXBMFYSA-N 2 2 317.458 1.662 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000316551790 354503507 /nfs/dbraw/zinc/50/35/07/354503507.db2.gz DPCASTNBWMLLOL-ZFWWWQNUSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000316551790 354503510 /nfs/dbraw/zinc/50/35/10/354503510.db2.gz DPCASTNBWMLLOL-ZFWWWQNUSA-N 2 2 321.446 1.404 20 30 DDEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597129948 357068323 /nfs/dbraw/zinc/06/83/23/357068323.db2.gz NGTFUZPDPVXPBL-HNNXBMFYSA-N 2 2 309.373 1.749 20 30 DDEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000597129948 357068325 /nfs/dbraw/zinc/06/83/25/357068325.db2.gz NGTFUZPDPVXPBL-HNNXBMFYSA-N 2 2 309.373 1.749 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600750021 358306457 /nfs/dbraw/zinc/30/64/57/358306457.db2.gz TWQPKGUFYAGJLZ-GJZGRUSLSA-N 2 2 309.454 1.520 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600750021 358306461 /nfs/dbraw/zinc/30/64/61/358306461.db2.gz TWQPKGUFYAGJLZ-GJZGRUSLSA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602446746 358982412 /nfs/dbraw/zinc/98/24/12/358982412.db2.gz IWVPADIVSRCLOP-MRXNPFEDSA-N 2 2 317.433 1.989 20 30 DDEDLP C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602446746 358982415 /nfs/dbraw/zinc/98/24/15/358982415.db2.gz IWVPADIVSRCLOP-MRXNPFEDSA-N 2 2 317.433 1.989 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]Cc1cn2c([nH+]1)CCCC2 ZINC000330197793 223086767 /nfs/dbraw/zinc/08/67/67/223086767.db2.gz SGWMZRIOMKWMBU-LBPRGKRZSA-N 2 2 314.393 1.435 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000265022592 204347915 /nfs/dbraw/zinc/34/79/15/204347915.db2.gz SOUPGOGPKZLLOA-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000265022592 204347918 /nfs/dbraw/zinc/34/79/18/204347918.db2.gz SOUPGOGPKZLLOA-INIZCTEOSA-N 2 2 300.406 1.058 20 30 DDEDLP COCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000170982857 407568728 /nfs/dbraw/zinc/56/87/28/407568728.db2.gz SOPXOYOSWLOIBU-UHFFFAOYSA-N 2 2 320.437 1.130 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125253797 407383300 /nfs/dbraw/zinc/38/33/00/407383300.db2.gz BZTCLMJIFBDDCN-CABCVRRESA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125253797 407383302 /nfs/dbraw/zinc/38/33/02/407383302.db2.gz BZTCLMJIFBDDCN-CABCVRRESA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125253797 407383304 /nfs/dbraw/zinc/38/33/04/407383304.db2.gz BZTCLMJIFBDDCN-CABCVRRESA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125253797 407383306 /nfs/dbraw/zinc/38/33/06/407383306.db2.gz BZTCLMJIFBDDCN-CABCVRRESA-N 2 2 314.437 1.343 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995244 408376626 /nfs/dbraw/zinc/37/66/26/408376626.db2.gz BDDKABPONCFQPF-YFHUEUNASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995244 408376629 /nfs/dbraw/zinc/37/66/29/408376629.db2.gz BDDKABPONCFQPF-YFHUEUNASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158995244 408376632 /nfs/dbraw/zinc/37/66/32/408376632.db2.gz BDDKABPONCFQPF-YFHUEUNASA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995244 408376633 /nfs/dbraw/zinc/37/66/33/408376633.db2.gz BDDKABPONCFQPF-YFHUEUNASA-N 2 2 320.481 1.845 20 30 DDEDLP C=CCN1CC[C@H]([NH+](C)CCC[N@@H+](C)Cc2ccco2)C1=O ZINC000285613764 409508780 /nfs/dbraw/zinc/50/87/80/409508780.db2.gz KIAOHVQKEOIHTP-INIZCTEOSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@H]([NH+](C)CCC[N@H+](C)Cc2ccco2)C1=O ZINC000285613764 409508782 /nfs/dbraw/zinc/50/87/82/409508782.db2.gz KIAOHVQKEOIHTP-INIZCTEOSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+](C)CCC[NH+](C)Cc2ccco2)C1=O ZINC000285613764 409508785 /nfs/dbraw/zinc/50/87/85/409508785.db2.gz KIAOHVQKEOIHTP-INIZCTEOSA-N 2 2 305.422 1.820 20 30 DDEDLP C=CCN1CC[C@H]([N@H+](C)CCC[NH+](C)Cc2ccco2)C1=O ZINC000285613764 409508788 /nfs/dbraw/zinc/50/87/88/409508788.db2.gz KIAOHVQKEOIHTP-INIZCTEOSA-N 2 2 305.422 1.820 20 30 DDEDLP CN(C(=O)CC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000357657910 410168082 /nfs/dbraw/zinc/16/80/82/410168082.db2.gz OAWMHTIMTMTLJH-HZPDHXFCSA-N 2 2 306.454 1.696 20 30 DDEDLP CN(C(=O)CC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357657910 410168088 /nfs/dbraw/zinc/16/80/88/410168088.db2.gz OAWMHTIMTMTLJH-HZPDHXFCSA-N 2 2 306.454 1.696 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354946612 410196731 /nfs/dbraw/zinc/19/67/31/410196731.db2.gz JFXVHINPAIKFDM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354946612 410196736 /nfs/dbraw/zinc/19/67/36/410196736.db2.gz JFXVHINPAIKFDM-HZPDHXFCSA-N 2 2 323.481 1.595 20 30 DDEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949028 410495692 /nfs/dbraw/zinc/49/56/92/410495692.db2.gz LFJXZZOLTSMZKK-IIAWOOMASA-N 2 2 317.437 1.917 20 30 DDEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329949028 410495696 /nfs/dbraw/zinc/49/56/96/410495696.db2.gz LFJXZZOLTSMZKK-IIAWOOMASA-N 2 2 317.437 1.917 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353545249 411055405 /nfs/dbraw/zinc/05/54/05/411055405.db2.gz CWJDMFNPEFUZIO-UHFFFAOYSA-N 2 2 322.409 1.045 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353545249 411055413 /nfs/dbraw/zinc/05/54/13/411055413.db2.gz CWJDMFNPEFUZIO-UHFFFAOYSA-N 2 2 322.409 1.045 20 30 DDEDLP C=CCNC(=O)NC(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353545249 411055418 /nfs/dbraw/zinc/05/54/18/411055418.db2.gz CWJDMFNPEFUZIO-UHFFFAOYSA-N 2 2 322.409 1.045 20 30 DDEDLP C=CCNC(=O)NC(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353545249 411055427 /nfs/dbraw/zinc/05/54/27/411055427.db2.gz CWJDMFNPEFUZIO-UHFFFAOYSA-N 2 2 322.409 1.045 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000353751242 411123172 /nfs/dbraw/zinc/12/31/72/411123172.db2.gz WZLUDJMVDOWCNY-UHFFFAOYSA-N 2 2 322.416 1.736 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000373992198 418480211 /nfs/dbraw/zinc/48/02/11/418480211.db2.gz KUMRFBVLTONFQC-HUUCEWRRSA-N 2 2 304.438 1.909 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205755 418571071 /nfs/dbraw/zinc/57/10/71/418571071.db2.gz LIKXQWPLJZLABO-DOTOQJQBSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@](C)(C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205755 418571073 /nfs/dbraw/zinc/57/10/73/418571073.db2.gz LIKXQWPLJZLABO-DOTOQJQBSA-N 2 2 306.454 1.553 20 30 DDEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261885244 222261059 /nfs/dbraw/zinc/26/10/59/222261059.db2.gz RVLGOKUAZCFGCI-CQSZACIVSA-N 2 2 314.393 1.159 20 30 DDEDLP CCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273534380 222472439 /nfs/dbraw/zinc/47/24/39/222472439.db2.gz VUDCXZXAIMZZAJ-UHFFFAOYSA-N 2 2 324.226 1.872 20 30 DDEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764832 418681900 /nfs/dbraw/zinc/68/19/00/418681900.db2.gz SMBQXFFKXZRDMG-XYPWUTKMSA-N 2 2 317.437 1.199 20 30 DDEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764832 418681902 /nfs/dbraw/zinc/68/19/02/418681902.db2.gz SMBQXFFKXZRDMG-XYPWUTKMSA-N 2 2 317.437 1.199 20 30 DDEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764832 418681906 /nfs/dbraw/zinc/68/19/06/418681906.db2.gz SMBQXFFKXZRDMG-XYPWUTKMSA-N 2 2 317.437 1.199 20 30 DDEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764832 418681907 /nfs/dbraw/zinc/68/19/07/418681907.db2.gz SMBQXFFKXZRDMG-XYPWUTKMSA-N 2 2 317.437 1.199 20 30 DDEDLP CC#CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000361648427 418696361 /nfs/dbraw/zinc/69/63/61/418696361.db2.gz RAVYERSZEVUMDS-SJPCQFCGSA-N 2 2 318.465 1.352 20 30 DDEDLP CC#CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000361648427 418696362 /nfs/dbraw/zinc/69/63/62/418696362.db2.gz RAVYERSZEVUMDS-SJPCQFCGSA-N 2 2 318.465 1.352 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000362298856 418752019 /nfs/dbraw/zinc/75/20/19/418752019.db2.gz MJSVZXPMFZHCQN-INIZCTEOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000362298856 418752021 /nfs/dbraw/zinc/75/20/21/418752021.db2.gz MJSVZXPMFZHCQN-INIZCTEOSA-N 2 2 316.424 1.909 20 30 DDEDLP C=C(CC)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000454452739 420860178 /nfs/dbraw/zinc/86/01/78/420860178.db2.gz KKROGRPKZJQKBR-UHFFFAOYSA-N 2 2 308.470 1.810 20 30 DDEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000489393870 421152736 /nfs/dbraw/zinc/15/27/36/421152736.db2.gz CTHMKJPSXZLMMH-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000489393870 421152739 /nfs/dbraw/zinc/15/27/39/421152739.db2.gz CTHMKJPSXZLMMH-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000527297131 421375019 /nfs/dbraw/zinc/37/50/19/421375019.db2.gz KTLNETRHRBVIIL-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000527297131 421375022 /nfs/dbraw/zinc/37/50/22/421375022.db2.gz KTLNETRHRBVIIL-CVEARBPZSA-N 2 2 318.465 1.745 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568254606 421618922 /nfs/dbraw/zinc/61/89/22/421618922.db2.gz FDADPRBIMINKKU-HZPDHXFCSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000568254606 421618925 /nfs/dbraw/zinc/61/89/25/421618925.db2.gz FDADPRBIMINKKU-HZPDHXFCSA-N 2 2 303.406 1.176 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000570163042 421629842 /nfs/dbraw/zinc/62/98/42/421629842.db2.gz ZNIYSELQJZTXTG-AWEZNQCLSA-N 2 2 309.841 1.980 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000570163042 421629845 /nfs/dbraw/zinc/62/98/45/421629845.db2.gz ZNIYSELQJZTXTG-AWEZNQCLSA-N 2 2 309.841 1.980 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000571295208 421703843 /nfs/dbraw/zinc/70/38/43/421703843.db2.gz RSKGMTDPWIHSRA-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211307 421685040 /nfs/dbraw/zinc/68/50/40/421685040.db2.gz PZDSKQHSGOITNT-JKSUJKDBSA-N 2 2 324.384 1.995 20 30 DDEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211307 421685043 /nfs/dbraw/zinc/68/50/43/421685043.db2.gz PZDSKQHSGOITNT-JKSUJKDBSA-N 2 2 324.384 1.995 20 30 DDEDLP C=CC[C@@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573609205 421988460 /nfs/dbraw/zinc/98/84/60/421988460.db2.gz XIYJRDRCMAELLO-GJZGRUSLSA-N 2 2 303.406 1.541 20 30 DDEDLP C=CCCn1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000657303218 424275979 /nfs/dbraw/zinc/27/59/79/424275979.db2.gz KWXFWPBAMTYDFF-KRWDZBQOSA-N 2 2 320.485 1.216 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC000657398891 424329449 /nfs/dbraw/zinc/32/94/49/424329449.db2.gz FBPWMDHHLLQFND-IAGOWNOFSA-N 2 2 319.453 1.322 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091110 267181448 /nfs/dbraw/zinc/18/14/48/267181448.db2.gz CTYADQNEPMOOIS-XJKSGUPXSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091110 267181449 /nfs/dbraw/zinc/18/14/49/267181449.db2.gz CTYADQNEPMOOIS-XJKSGUPXSA-N 2 2 300.406 1.549 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309908 308236283 /nfs/dbraw/zinc/23/62/83/308236283.db2.gz HVLJPQGDUCJJHP-QGZVFWFLSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309908 308236284 /nfs/dbraw/zinc/23/62/84/308236284.db2.gz HVLJPQGDUCJJHP-QGZVFWFLSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309908 308236286 /nfs/dbraw/zinc/23/62/86/308236286.db2.gz HVLJPQGDUCJJHP-QGZVFWFLSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309908 308236288 /nfs/dbraw/zinc/23/62/88/308236288.db2.gz HVLJPQGDUCJJHP-QGZVFWFLSA-N 2 2 316.449 1.383 20 30 DDEDLP C#CCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC001120649914 782070349 /nfs/dbraw/zinc/07/03/49/782070349.db2.gz URWSZSFNEJJJCB-UHFFFAOYSA-N 2 2 306.454 1.387 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839303 341304654 /nfs/dbraw/zinc/30/46/54/341304654.db2.gz CRJTULYKICSHQS-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839303 341304655 /nfs/dbraw/zinc/30/46/55/341304655.db2.gz CRJTULYKICSHQS-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549839303 341304656 /nfs/dbraw/zinc/30/46/56/341304656.db2.gz CRJTULYKICSHQS-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549839303 341304657 /nfs/dbraw/zinc/30/46/57/341304657.db2.gz CRJTULYKICSHQS-GOEBONIOSA-N 2 2 304.438 1.355 20 30 DDEDLP CNC(=O)[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000329623123 526407134 /nfs/dbraw/zinc/40/71/34/526407134.db2.gz USPXTOWHGUVBGL-OAHLLOKOSA-N 2 2 315.377 1.363 20 30 DDEDLP CNC(=O)[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000329623123 526407136 /nfs/dbraw/zinc/40/71/36/526407136.db2.gz USPXTOWHGUVBGL-OAHLLOKOSA-N 2 2 315.377 1.363 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491263881 526823639 /nfs/dbraw/zinc/82/36/39/526823639.db2.gz CNVPBEMTLJRILV-UHFFFAOYSA-N 2 2 310.401 1.866 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491263881 526823642 /nfs/dbraw/zinc/82/36/42/526823642.db2.gz CNVPBEMTLJRILV-UHFFFAOYSA-N 2 2 310.401 1.866 20 30 DDEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)CC1 ZINC000491546326 526936960 /nfs/dbraw/zinc/93/69/60/526936960.db2.gz VMHRODVXTPONFV-HNNXBMFYSA-N 2 2 318.421 1.664 20 30 DDEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)CC1 ZINC000491546326 526936963 /nfs/dbraw/zinc/93/69/63/526936963.db2.gz VMHRODVXTPONFV-HNNXBMFYSA-N 2 2 318.421 1.664 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccc(F)cc2)CC1 ZINC000490741353 526948183 /nfs/dbraw/zinc/94/81/83/526948183.db2.gz QUDUAGNKSDTGHH-UHFFFAOYSA-N 2 2 317.408 1.077 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC000490741353 526948189 /nfs/dbraw/zinc/94/81/89/526948189.db2.gz QUDUAGNKSDTGHH-UHFFFAOYSA-N 2 2 317.408 1.077 20 30 DDEDLP C#C[C@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000491716335 527351476 /nfs/dbraw/zinc/35/14/76/527351476.db2.gz SZZCIDLIBARQGZ-VPSFDDGASA-N 2 2 318.465 1.351 20 30 DDEDLP C#C[C@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000491716335 527351477 /nfs/dbraw/zinc/35/14/77/527351477.db2.gz SZZCIDLIBARQGZ-VPSFDDGASA-N 2 2 318.465 1.351 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974829954 695745067 /nfs/dbraw/zinc/74/50/67/695745067.db2.gz XBHVISOVMLMJGZ-MRXNPFEDSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974829954 695745068 /nfs/dbraw/zinc/74/50/68/695745068.db2.gz XBHVISOVMLMJGZ-MRXNPFEDSA-N 2 2 314.433 1.222 20 30 DDEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977657817 696246589 /nfs/dbraw/zinc/24/65/89/696246589.db2.gz UANWHJVZJSAKAR-HZPDHXFCSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977657817 696246592 /nfs/dbraw/zinc/24/65/92/696246592.db2.gz UANWHJVZJSAKAR-HZPDHXFCSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657817 696246593 /nfs/dbraw/zinc/24/65/93/696246593.db2.gz UANWHJVZJSAKAR-HZPDHXFCSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657817 696246596 /nfs/dbraw/zinc/24/65/96/696246596.db2.gz UANWHJVZJSAKAR-HZPDHXFCSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981166420 697024475 /nfs/dbraw/zinc/02/44/75/697024475.db2.gz LVXAHYRTJFFRMZ-LSDHHAIUSA-N 2 2 301.390 1.283 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982130716 697037389 /nfs/dbraw/zinc/03/73/89/697037389.db2.gz ATZGZOTWYKXDAG-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982130716 697037390 /nfs/dbraw/zinc/03/73/90/697037390.db2.gz ATZGZOTWYKXDAG-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269305 697078623 /nfs/dbraw/zinc/07/86/23/697078623.db2.gz SLMHMVUSBHYHRI-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982269305 697078626 /nfs/dbraw/zinc/07/86/26/697078626.db2.gz SLMHMVUSBHYHRI-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067107 697983505 /nfs/dbraw/zinc/98/35/05/697983505.db2.gz LWZWCXGOLGGMFK-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988878323 698490278 /nfs/dbraw/zinc/49/02/78/698490278.db2.gz ZQYAKTWLSABPJG-LSDHHAIUSA-N 2 2 316.449 1.917 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638329 698703433 /nfs/dbraw/zinc/70/34/33/698703433.db2.gz IZMZXRPMPRQCAW-UONOGXRCSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638328 698703820 /nfs/dbraw/zinc/70/38/20/698703820.db2.gz IZMZXRPMPRQCAW-KGLIPLIRSA-N 2 2 309.373 1.093 20 30 DDEDLP C=CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734284476 699646244 /nfs/dbraw/zinc/64/62/44/699646244.db2.gz WHVCVPYCYXGNOH-HNNXBMFYSA-N 2 2 308.470 1.761 20 30 DDEDLP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734284476 699646245 /nfs/dbraw/zinc/64/62/45/699646245.db2.gz WHVCVPYCYXGNOH-HNNXBMFYSA-N 2 2 308.470 1.761 20 30 DDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866666887 706758648 /nfs/dbraw/zinc/75/86/48/706758648.db2.gz YIBCLGFZDQNFHP-MRXNPFEDSA-N 2 2 313.401 1.848 20 30 DDEDLP CCc1ccc(C#CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855415117 704484532 /nfs/dbraw/zinc/48/45/32/704484532.db2.gz PZTPMIZQHWRABN-UHFFFAOYSA-N 2 2 315.461 1.600 20 30 DDEDLP CCc1ccc(C#CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855415117 704484533 /nfs/dbraw/zinc/48/45/33/704484533.db2.gz PZTPMIZQHWRABN-UHFFFAOYSA-N 2 2 315.461 1.600 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000876873717 705901169 /nfs/dbraw/zinc/90/11/69/705901169.db2.gz OONKLPCBNBBCML-LSDHHAIUSA-N 2 2 307.825 1.972 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000876873717 705901173 /nfs/dbraw/zinc/90/11/73/705901173.db2.gz OONKLPCBNBBCML-LSDHHAIUSA-N 2 2 307.825 1.972 20 30 DDEDLP CN(CCC[N@H+](C)Cc1cc(C#N)cnc1Cl)CC[NH+](C)C ZINC000877536368 706135306 /nfs/dbraw/zinc/13/53/06/706135306.db2.gz ZZIZMRCWKHZXKR-UHFFFAOYSA-N 2 2 323.872 1.922 20 30 DDEDLP CN(CCC[N@@H+](C)Cc1cc(C#N)cnc1Cl)CC[NH+](C)C ZINC000877536368 706135308 /nfs/dbraw/zinc/13/53/08/706135308.db2.gz ZZIZMRCWKHZXKR-UHFFFAOYSA-N 2 2 323.872 1.922 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000913480331 713233760 /nfs/dbraw/zinc/23/37/60/713233760.db2.gz KNPSKMGZNIFOMT-UHFFFAOYSA-N 2 2 317.433 1.544 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000963901898 717941430 /nfs/dbraw/zinc/94/14/30/717941430.db2.gz BLBAPGPDSUCEKT-NRXISQOPSA-N 2 2 314.433 1.822 20 30 DDEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]2C1 ZINC000931434996 714097208 /nfs/dbraw/zinc/09/72/08/714097208.db2.gz DDYPHBZTLFKGAK-CVEARBPZSA-N 2 2 323.400 1.992 20 30 DDEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]2C1 ZINC000931434996 714097212 /nfs/dbraw/zinc/09/72/12/714097212.db2.gz DDYPHBZTLFKGAK-CVEARBPZSA-N 2 2 323.400 1.992 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]2C1 ZINC000931434996 714097215 /nfs/dbraw/zinc/09/72/15/714097215.db2.gz DDYPHBZTLFKGAK-CVEARBPZSA-N 2 2 323.400 1.992 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]2C1 ZINC000931434996 714097219 /nfs/dbraw/zinc/09/72/19/714097219.db2.gz DDYPHBZTLFKGAK-CVEARBPZSA-N 2 2 323.400 1.992 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000964032318 717972030 /nfs/dbraw/zinc/97/20/30/717972030.db2.gz RRPTUUWFENOOBC-UHFFFAOYSA-N 2 2 308.385 1.827 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961414471 716936849 /nfs/dbraw/zinc/93/68/49/716936849.db2.gz KENGTARTIVFXMP-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961414471 716936850 /nfs/dbraw/zinc/93/68/50/716936850.db2.gz KENGTARTIVFXMP-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942064428 717459794 /nfs/dbraw/zinc/45/97/94/717459794.db2.gz RRQYZESXQKGMOQ-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942064428 717459795 /nfs/dbraw/zinc/45/97/95/717459795.db2.gz RRQYZESXQKGMOQ-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296505 717730753 /nfs/dbraw/zinc/73/07/53/717730753.db2.gz DOZAQDMPMVEMHC-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296505 717730757 /nfs/dbraw/zinc/73/07/57/717730757.db2.gz DOZAQDMPMVEMHC-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239954 718480090 /nfs/dbraw/zinc/48/00/90/718480090.db2.gz XTVQSBDJVCSIEZ-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966239954 718480093 /nfs/dbraw/zinc/48/00/93/718480093.db2.gz XTVQSBDJVCSIEZ-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093529 718763118 /nfs/dbraw/zinc/76/31/18/718763118.db2.gz ZRLUJUIBTXCIJS-CJNGLKHVSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093529 718763121 /nfs/dbraw/zinc/76/31/21/718763121.db2.gz ZRLUJUIBTXCIJS-CJNGLKHVSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309397 718837101 /nfs/dbraw/zinc/83/71/01/718837101.db2.gz FTOYRLJYCGLRHK-PBHICJAKSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309397 718837107 /nfs/dbraw/zinc/83/71/07/718837107.db2.gz FTOYRLJYCGLRHK-PBHICJAKSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642502 718863319 /nfs/dbraw/zinc/86/33/19/718863319.db2.gz MMEAKGDMNBJDQM-GASCZTMLSA-N 2 2 322.412 1.980 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642502 718863324 /nfs/dbraw/zinc/86/33/24/718863324.db2.gz MMEAKGDMNBJDQM-GASCZTMLSA-N 2 2 322.412 1.980 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022659 719928367 /nfs/dbraw/zinc/92/83/67/719928367.db2.gz GWVJCCPZWSCVHF-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271387 732882261 /nfs/dbraw/zinc/88/22/61/732882261.db2.gz OMTJGPUENFBUEC-HUUCEWRRSA-N 2 2 316.449 1.976 20 30 DDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486325 733144031 /nfs/dbraw/zinc/14/40/31/733144031.db2.gz MJESAHXODHTKNO-YJBOKZPZSA-N 2 2 316.449 1.757 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753878 733514428 /nfs/dbraw/zinc/51/44/28/733514428.db2.gz JDAPGFQHNPABFC-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753878 733514430 /nfs/dbraw/zinc/51/44/30/733514430.db2.gz JDAPGFQHNPABFC-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001104367034 734386752 /nfs/dbraw/zinc/38/67/52/734386752.db2.gz DWHVISOZWKHKCZ-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001027939887 738839760 /nfs/dbraw/zinc/83/97/60/738839760.db2.gz AFBHYDCCOAIERP-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027939887 738839764 /nfs/dbraw/zinc/83/97/64/738839764.db2.gz AFBHYDCCOAIERP-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001027939887 738839766 /nfs/dbraw/zinc/83/97/66/738839766.db2.gz AFBHYDCCOAIERP-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001027939887 738839769 /nfs/dbraw/zinc/83/97/69/738839769.db2.gz AFBHYDCCOAIERP-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449813 735242437 /nfs/dbraw/zinc/24/24/37/735242437.db2.gz ZWPDDKCTCZMERL-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449813 735242440 /nfs/dbraw/zinc/24/24/40/735242440.db2.gz ZWPDDKCTCZMERL-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024515165 735890596 /nfs/dbraw/zinc/89/05/96/735890596.db2.gz MXZWDGTWGKHZHP-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024515165 735890598 /nfs/dbraw/zinc/89/05/98/735890598.db2.gz MXZWDGTWGKHZHP-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024515297 735892339 /nfs/dbraw/zinc/89/23/39/735892339.db2.gz QMRCOJQIIYYXDF-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001024515297 735892344 /nfs/dbraw/zinc/89/23/44/735892344.db2.gz QMRCOJQIIYYXDF-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310016 736040566 /nfs/dbraw/zinc/04/05/66/736040566.db2.gz PMADDCBIVFYBTG-WQVCFCJDSA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001087310016 736040568 /nfs/dbraw/zinc/04/05/68/736040568.db2.gz PMADDCBIVFYBTG-WQVCFCJDSA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775557 737193176 /nfs/dbraw/zinc/19/31/76/737193176.db2.gz INVJISDMIUHBCF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775557 737193177 /nfs/dbraw/zinc/19/31/77/737193177.db2.gz INVJISDMIUHBCF-RBSFLKMASA-N 2 2 302.422 1.296 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980307 738904078 /nfs/dbraw/zinc/90/40/78/738904078.db2.gz PVDGYUFARXQECY-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980307 738904080 /nfs/dbraw/zinc/90/40/80/738904080.db2.gz PVDGYUFARXQECY-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644111 739841767 /nfs/dbraw/zinc/84/17/67/739841767.db2.gz VWBDZKTZWJOSKR-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644111 739841772 /nfs/dbraw/zinc/84/17/72/739841772.db2.gz VWBDZKTZWJOSKR-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087580955 740665062 /nfs/dbraw/zinc/66/50/62/740665062.db2.gz HXMLIRHUXGGPEY-JKSUJKDBSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087580955 740665063 /nfs/dbraw/zinc/66/50/63/740665063.db2.gz HXMLIRHUXGGPEY-JKSUJKDBSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087630641 740683922 /nfs/dbraw/zinc/68/39/22/740683922.db2.gz RAJZAGWAZKZZCD-VNQPRFMTSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087630641 740683923 /nfs/dbraw/zinc/68/39/23/740683923.db2.gz RAJZAGWAZKZZCD-VNQPRFMTSA-N 2 2 300.406 1.048 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037932715 751574253 /nfs/dbraw/zinc/57/42/53/751574253.db2.gz JPGVLRCHSBANKN-GXTWGEPZSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687577 742077916 /nfs/dbraw/zinc/07/79/16/742077916.db2.gz HBZDVIWXTXSHAJ-OCCSQVGLSA-N 2 2 306.410 1.505 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687577 742077923 /nfs/dbraw/zinc/07/79/23/742077923.db2.gz HBZDVIWXTXSHAJ-OCCSQVGLSA-N 2 2 306.410 1.505 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001035608675 751714058 /nfs/dbraw/zinc/71/40/58/751714058.db2.gz JFFPBMCQAKLBHQ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035608675 751714068 /nfs/dbraw/zinc/71/40/68/751714068.db2.gz JFFPBMCQAKLBHQ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035608675 751714073 /nfs/dbraw/zinc/71/40/73/751714073.db2.gz JFFPBMCQAKLBHQ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035608675 751714080 /nfs/dbraw/zinc/71/40/80/751714080.db2.gz JFFPBMCQAKLBHQ-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001035608764 751713370 /nfs/dbraw/zinc/71/33/70/751713370.db2.gz JFFPBMCQAKLBHQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035608764 751713374 /nfs/dbraw/zinc/71/33/74/751713374.db2.gz JFFPBMCQAKLBHQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035608764 751713379 /nfs/dbraw/zinc/71/33/79/751713379.db2.gz JFFPBMCQAKLBHQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035608764 751713381 /nfs/dbraw/zinc/71/33/81/751713381.db2.gz JFFPBMCQAKLBHQ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228943 742611381 /nfs/dbraw/zinc/61/13/81/742611381.db2.gz QUOPSGJAFVTKFE-OFQRWUPVSA-N 2 2 314.433 1.938 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228943 742611383 /nfs/dbraw/zinc/61/13/83/742611383.db2.gz QUOPSGJAFVTKFE-OFQRWUPVSA-N 2 2 314.433 1.938 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001076453217 742739697 /nfs/dbraw/zinc/73/96/97/742739697.db2.gz YVLWBVSZDQOQQZ-WMLDXEAASA-N 2 2 323.400 1.600 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001076453217 742739699 /nfs/dbraw/zinc/73/96/99/742739699.db2.gz YVLWBVSZDQOQQZ-WMLDXEAASA-N 2 2 323.400 1.600 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035668851 751773958 /nfs/dbraw/zinc/77/39/58/751773958.db2.gz LXTMGXGYDODWRB-AWEZNQCLSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035668851 751773961 /nfs/dbraw/zinc/77/39/61/751773961.db2.gz LXTMGXGYDODWRB-AWEZNQCLSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533546 744055324 /nfs/dbraw/zinc/05/53/24/744055324.db2.gz GNYXKLBEPMHQSC-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533546 744055329 /nfs/dbraw/zinc/05/53/29/744055329.db2.gz GNYXKLBEPMHQSC-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491351 744245121 /nfs/dbraw/zinc/24/51/21/744245121.db2.gz GZBHRTXPIJJDKN-UONOGXRCSA-N 2 2 302.422 1.395 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491092 744245237 /nfs/dbraw/zinc/24/52/37/744245237.db2.gz FCJNJQHMIKFIEC-UONOGXRCSA-N 2 2 304.438 1.948 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187051601 744492349 /nfs/dbraw/zinc/49/23/49/744492349.db2.gz XZNKQKIPUMZLNC-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001030959956 744960519 /nfs/dbraw/zinc/96/05/19/744960519.db2.gz HATYCMDOLYNXIY-CQSZACIVSA-N 2 2 302.422 1.521 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992818128 745220635 /nfs/dbraw/zinc/22/06/35/745220635.db2.gz HNHHEMCVXUWOBT-NUEKZKHPSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992833727 745236115 /nfs/dbraw/zinc/23/61/15/745236115.db2.gz LUBZRDWCJXNWBP-BPLDGKMQSA-N 2 2 322.840 1.921 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000992868008 745252908 /nfs/dbraw/zinc/25/29/08/745252908.db2.gz CEFRVLLWAWKHFT-USXIJHARSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010777 745403509 /nfs/dbraw/zinc/40/35/09/745403509.db2.gz PYQQIBQCTRKIJM-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191010777 745403512 /nfs/dbraw/zinc/40/35/12/745403512.db2.gz PYQQIBQCTRKIJM-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010591 745404081 /nfs/dbraw/zinc/40/40/81/745404081.db2.gz NKDSQDJXLWWWAV-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191010591 745404084 /nfs/dbraw/zinc/40/40/84/745404084.db2.gz NKDSQDJXLWWWAV-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993485555 746187420 /nfs/dbraw/zinc/18/74/20/746187420.db2.gz BFLMDPOWKKFUGW-CVEARBPZSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC000993485555 746187423 /nfs/dbraw/zinc/18/74/23/746187423.db2.gz BFLMDPOWKKFUGW-CVEARBPZSA-N 2 2 316.449 1.919 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193999176 746261195 /nfs/dbraw/zinc/26/11/95/746261195.db2.gz YBIPLPDLZXYUCD-OWCLPIDISA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193999176 746261202 /nfs/dbraw/zinc/26/12/02/746261202.db2.gz YBIPLPDLZXYUCD-OWCLPIDISA-N 2 2 320.437 1.208 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994081260 746445152 /nfs/dbraw/zinc/44/51/52/746445152.db2.gz PIPVHQXJVVHZSU-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994081260 746445153 /nfs/dbraw/zinc/44/51/53/746445153.db2.gz PIPVHQXJVVHZSU-IRXDYDNUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119339 746453391 /nfs/dbraw/zinc/45/33/91/746453391.db2.gz WASYNXUCDBIOFS-RHSMWYFYSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119339 746453394 /nfs/dbraw/zinc/45/33/94/746453394.db2.gz WASYNXUCDBIOFS-RHSMWYFYSA-N 2 2 323.400 1.483 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001036049667 752128043 /nfs/dbraw/zinc/12/80/43/752128043.db2.gz XTHBPUKGFROVIP-RISCZKNCSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001036049667 752128048 /nfs/dbraw/zinc/12/80/48/752128048.db2.gz XTHBPUKGFROVIP-RISCZKNCSA-N 2 2 310.829 1.921 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331360 746834122 /nfs/dbraw/zinc/83/41/22/746834122.db2.gz APCCXIUMRONXPV-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331360 746834130 /nfs/dbraw/zinc/83/41/30/746834130.db2.gz APCCXIUMRONXPV-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937840 748173643 /nfs/dbraw/zinc/17/36/43/748173643.db2.gz GPTRDNGVDKCQIO-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004455078 748447508 /nfs/dbraw/zinc/44/75/08/748447508.db2.gz CPBORZQZAXZMFL-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004455078 748447510 /nfs/dbraw/zinc/44/75/10/748447510.db2.gz CPBORZQZAXZMFL-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004455078 748447512 /nfs/dbraw/zinc/44/75/12/748447512.db2.gz CPBORZQZAXZMFL-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004455078 748447514 /nfs/dbraw/zinc/44/75/14/748447514.db2.gz CPBORZQZAXZMFL-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007698937 752280275 /nfs/dbraw/zinc/28/02/75/752280275.db2.gz KPEGBOSETSTANL-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007698937 752280284 /nfs/dbraw/zinc/28/02/84/752280284.db2.gz KPEGBOSETSTANL-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007698937 752280293 /nfs/dbraw/zinc/28/02/93/752280293.db2.gz KPEGBOSETSTANL-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007698937 752280299 /nfs/dbraw/zinc/28/02/99/752280299.db2.gz KPEGBOSETSTANL-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699327 752280765 /nfs/dbraw/zinc/28/07/65/752280765.db2.gz MRJHMWFMMGFXBU-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007699327 752280770 /nfs/dbraw/zinc/28/07/70/752280770.db2.gz MRJHMWFMMGFXBU-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699327 752280775 /nfs/dbraw/zinc/28/07/75/752280775.db2.gz MRJHMWFMMGFXBU-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007699327 752280780 /nfs/dbraw/zinc/28/07/80/752280780.db2.gz MRJHMWFMMGFXBU-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857997 748613043 /nfs/dbraw/zinc/61/30/43/748613043.db2.gz ZZLYYQXFUYFLEG-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208184 748712258 /nfs/dbraw/zinc/71/22/58/748712258.db2.gz KCWIIAFDEJMKDL-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254245 761891584 /nfs/dbraw/zinc/89/15/84/761891584.db2.gz UBLZUIFWARIEAR-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254245 761891592 /nfs/dbraw/zinc/89/15/92/761891592.db2.gz UBLZUIFWARIEAR-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033215120 748949310 /nfs/dbraw/zinc/94/93/10/748949310.db2.gz BNVIMQMNWKDCBF-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033215120 748949314 /nfs/dbraw/zinc/94/93/14/748949314.db2.gz BNVIMQMNWKDCBF-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP 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ZINC001033585848 749593215 /nfs/dbraw/zinc/59/32/15/749593215.db2.gz OCMZPXXFIVRXJT-CQSZACIVSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585848 749593220 /nfs/dbraw/zinc/59/32/20/749593220.db2.gz OCMZPXXFIVRXJT-CQSZACIVSA-N 2 2 300.406 1.317 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107802 749733229 /nfs/dbraw/zinc/73/32/29/749733229.db2.gz HFJCFXYZMIQSQN-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107802 749733234 /nfs/dbraw/zinc/73/32/34/749733234.db2.gz HFJCFXYZMIQSQN-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001034650463 750629908 /nfs/dbraw/zinc/62/99/08/750629908.db2.gz IVGKHWYOQZVSCA-SHTZXODSSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008585150 752814340 /nfs/dbraw/zinc/81/43/40/752814340.db2.gz YSNVOJXPSQOTLG-RBSFLKMASA-N 2 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1.843 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979853 766757444 /nfs/dbraw/zinc/75/74/44/766757444.db2.gz KOJGPWQSZRNENV-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001045979853 766757449 /nfs/dbraw/zinc/75/74/49/766757449.db2.gz KOJGPWQSZRNENV-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001130404875 767500756 /nfs/dbraw/zinc/50/07/56/767500756.db2.gz RCESXYHSNNMVCG-MRXNPFEDSA-N 2 2 323.400 1.223 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434326 767562534 /nfs/dbraw/zinc/56/25/34/767562534.db2.gz LLYGVJJEDCRPQH-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434326 767562539 /nfs/dbraw/zinc/56/25/39/767562539.db2.gz LLYGVJJEDCRPQH-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825452 768392256 /nfs/dbraw/zinc/39/22/56/768392256.db2.gz PITHGFGJPGHWNK-WBVHZDCISA-N 2 2 323.481 1.548 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825452 768392261 /nfs/dbraw/zinc/39/22/61/768392261.db2.gz PITHGFGJPGHWNK-WBVHZDCISA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223790 769163853 /nfs/dbraw/zinc/16/38/53/769163853.db2.gz UTHNDTFANDZYOB-PBHICJAKSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223790 769163858 /nfs/dbraw/zinc/16/38/58/769163858.db2.gz UTHNDTFANDZYOB-PBHICJAKSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071606694 769705966 /nfs/dbraw/zinc/70/59/66/769705966.db2.gz KPDQNZJEUVQTGK-LSDHHAIUSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071606694 769705970 /nfs/dbraw/zinc/70/59/70/769705970.db2.gz KPDQNZJEUVQTGK-LSDHHAIUSA-N 2 2 302.422 1.529 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651413 769797460 /nfs/dbraw/zinc/79/74/60/769797460.db2.gz IBFYWTAJCXPPDX-HOCLYGCPSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651413 769797470 /nfs/dbraw/zinc/79/74/70/769797470.db2.gz IBFYWTAJCXPPDX-HOCLYGCPSA-N 2 2 310.401 1.940 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048872809 770026539 /nfs/dbraw/zinc/02/65/39/770026539.db2.gz GJJVPKKKZWQKSL-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048872809 770026549 /nfs/dbraw/zinc/02/65/49/770026549.db2.gz GJJVPKKKZWQKSL-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048872809 770026562 /nfs/dbraw/zinc/02/65/62/770026562.db2.gz GJJVPKKKZWQKSL-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048872809 770026576 /nfs/dbraw/zinc/02/65/76/770026576.db2.gz GJJVPKKKZWQKSL-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940063 770315286 /nfs/dbraw/zinc/31/52/86/770315286.db2.gz VLBONANGHOCDLF-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[C@H]1C ZINC001071940063 770315295 /nfs/dbraw/zinc/31/52/95/770315295.db2.gz VLBONANGHOCDLF-ZBFHGGJFSA-N 2 2 323.400 1.483 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049106892 770384909 /nfs/dbraw/zinc/38/49/09/770384909.db2.gz NSGBTYZQDPNAAW-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049106892 770384921 /nfs/dbraw/zinc/38/49/21/770384921.db2.gz NSGBTYZQDPNAAW-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049106892 770384931 /nfs/dbraw/zinc/38/49/31/770384931.db2.gz NSGBTYZQDPNAAW-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049106892 770384939 /nfs/dbraw/zinc/38/49/39/770384939.db2.gz NSGBTYZQDPNAAW-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866984 771219204 /nfs/dbraw/zinc/21/92/04/771219204.db2.gz LMPYPZFJJNCNDC-HOTGVXAUSA-N 2 2 302.422 1.902 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866984 771219205 /nfs/dbraw/zinc/21/92/05/771219205.db2.gz LMPYPZFJJNCNDC-HOTGVXAUSA-N 2 2 302.422 1.902 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868497 771219654 /nfs/dbraw/zinc/21/96/54/771219654.db2.gz UNWYYMGBVOEBTC-JKSUJKDBSA-N 2 2 300.406 1.349 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868497 771219658 /nfs/dbraw/zinc/21/96/58/771219658.db2.gz UNWYYMGBVOEBTC-JKSUJKDBSA-N 2 2 300.406 1.349 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001091106244 772528446 /nfs/dbraw/zinc/52/84/46/772528446.db2.gz LPCSWXGWJQLMBF-SHARSMKWSA-N 2 2 316.449 1.884 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001091106244 772528449 /nfs/dbraw/zinc/52/84/49/772528449.db2.gz LPCSWXGWJQLMBF-SHARSMKWSA-N 2 2 316.449 1.884 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927256 773725142 /nfs/dbraw/zinc/72/51/42/773725142.db2.gz XNXVUYCDJQQALC-HNNXBMFYSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927256 773725146 /nfs/dbraw/zinc/72/51/46/773725146.db2.gz XNXVUYCDJQQALC-HNNXBMFYSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857608 774294329 /nfs/dbraw/zinc/29/43/29/774294329.db2.gz IGARAOJESGIUGP-NVXWUHKLSA-N 2 2 322.412 1.803 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857608 774294332 /nfs/dbraw/zinc/29/43/32/774294332.db2.gz IGARAOJESGIUGP-NVXWUHKLSA-N 2 2 322.412 1.803 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165802 774875177 /nfs/dbraw/zinc/87/51/77/774875177.db2.gz PMAVNHQYDBMTQZ-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165802 774875185 /nfs/dbraw/zinc/87/51/85/774875185.db2.gz PMAVNHQYDBMTQZ-INIZCTEOSA-N 2 2 316.449 1.903 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882426 775949015 /nfs/dbraw/zinc/94/90/15/775949015.db2.gz LPUWYTVAJYHEHM-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882426 775949023 /nfs/dbraw/zinc/94/90/23/775949023.db2.gz LPUWYTVAJYHEHM-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171487883 776298230 /nfs/dbraw/zinc/29/82/30/776298230.db2.gz YDSNQHYORNCJAW-OAHLLOKOSA-N 2 2 317.433 1.921 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001094966117 776919580 /nfs/dbraw/zinc/91/95/80/776919580.db2.gz QRFVEAGTCKNSFI-KKUMJFAQSA-N 2 2 302.422 1.508 20 30 DDEDLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]([NH3+])C1 ZINC001173586741 777270790 /nfs/dbraw/zinc/27/07/90/777270790.db2.gz ZJXQIAWTVAKHPJ-YRTQGLMCSA-N 2 2 322.453 1.995 20 30 DDEDLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173591818 777272617 /nfs/dbraw/zinc/27/26/17/777272617.db2.gz ZJXQIAWTVAKHPJ-CWVKQELPSA-N 2 2 322.453 1.995 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102206334 777937178 /nfs/dbraw/zinc/93/71/78/777937178.db2.gz ZWBQLWQMKGYJNL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102206334 777937186 /nfs/dbraw/zinc/93/71/86/777937186.db2.gz ZWBQLWQMKGYJNL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538854 778191768 /nfs/dbraw/zinc/19/17/68/778191768.db2.gz YHCYMOZSSGMQHM-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538854 778191770 /nfs/dbraw/zinc/19/17/70/778191770.db2.gz YHCYMOZSSGMQHM-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864574 779202848 /nfs/dbraw/zinc/20/28/48/779202848.db2.gz KFJNSDOCWRLVMN-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001178978281 779231033 /nfs/dbraw/zinc/23/10/33/779231033.db2.gz LVDLAKNUNJTOMZ-ZFWWWQNUSA-N 2 2 301.390 1.235 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCOC3)cc2F)CC1 ZINC001119071031 781312894 /nfs/dbraw/zinc/31/28/94/781312894.db2.gz VPWKLSSNGRWBMN-AWEZNQCLSA-N 2 2 306.385 1.290 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001271782784 844105636 /nfs/dbraw/zinc/10/56/36/844105636.db2.gz HVXANFDCEVQTER-SHTZXODSSA-N 2 2 302.422 1.488 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465583 836302606 /nfs/dbraw/zinc/30/26/06/836302606.db2.gz YAYGZGAKLBKJOQ-INIZCTEOSA-N 2 2 314.433 1.366 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465583 836302619 /nfs/dbraw/zinc/30/26/19/836302619.db2.gz YAYGZGAKLBKJOQ-INIZCTEOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898670 844192373 /nfs/dbraw/zinc/19/23/73/844192373.db2.gz RLCUOVLFGRAXKJ-OAGGEKHMSA-N 2 2 302.422 1.628 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001271898670 844192376 /nfs/dbraw/zinc/19/23/76/844192376.db2.gz RLCUOVLFGRAXKJ-OAGGEKHMSA-N 2 2 302.422 1.628 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266795394 836846770 /nfs/dbraw/zinc/84/67/70/836846770.db2.gz JGTJGEMRVRCPBD-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267614759 838472501 /nfs/dbraw/zinc/47/25/01/838472501.db2.gz RBCXYYWQNCAQAX-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267614759 838472503 /nfs/dbraw/zinc/47/25/03/838472503.db2.gz RBCXYYWQNCAQAX-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267614759 838472505 /nfs/dbraw/zinc/47/25/05/838472505.db2.gz RBCXYYWQNCAQAX-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267614759 838472507 /nfs/dbraw/zinc/47/25/07/838472507.db2.gz RBCXYYWQNCAQAX-IAGOWNOFSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001268484340 840282880 /nfs/dbraw/zinc/28/28/80/840282880.db2.gz HABRWDXEMUWISB-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001268484340 840282890 /nfs/dbraw/zinc/28/28/90/840282890.db2.gz HABRWDXEMUWISB-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001268648378 840632220 /nfs/dbraw/zinc/63/22/20/840632220.db2.gz GECYKAILGVYPQH-OCCSQVGLSA-N 2 2 320.462 1.143 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001268648378 840632224 /nfs/dbraw/zinc/63/22/24/840632224.db2.gz GECYKAILGVYPQH-OCCSQVGLSA-N 2 2 320.462 1.143 20 30 DDEDLP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001268843977 840892989 /nfs/dbraw/zinc/89/29/89/840892989.db2.gz LQBYBMGTTVYARQ-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001272094084 844594213 /nfs/dbraw/zinc/59/42/13/844594213.db2.gz ZGNSIVLQMAOCHG-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001272094084 844594224 /nfs/dbraw/zinc/59/42/24/844594224.db2.gz ZGNSIVLQMAOCHG-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001272094084 844594230 /nfs/dbraw/zinc/59/42/30/844594230.db2.gz ZGNSIVLQMAOCHG-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001272094084 844594243 /nfs/dbraw/zinc/59/42/43/844594243.db2.gz ZGNSIVLQMAOCHG-INIZCTEOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422370736 842158040 /nfs/dbraw/zinc/15/80/40/842158040.db2.gz HERVKMOSPMLTLD-UWVGGRQHSA-N 2 2 315.215 1.344 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271007242 843128428 /nfs/dbraw/zinc/12/84/28/843128428.db2.gz LDOPPDFQHMOJCI-KRWDZBQOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271007242 843128433 /nfs/dbraw/zinc/12/84/33/843128433.db2.gz LDOPPDFQHMOJCI-KRWDZBQOSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282240 848246639 /nfs/dbraw/zinc/24/66/39/848246639.db2.gz NLAQWFXWULWTMP-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282240 848246648 /nfs/dbraw/zinc/24/66/48/848246648.db2.gz NLAQWFXWULWTMP-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380566 862207103 /nfs/dbraw/zinc/20/71/03/862207103.db2.gz VMFSMEIBNIVWGS-HUUCEWRRSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380566 862207123 /nfs/dbraw/zinc/20/71/23/862207123.db2.gz VMFSMEIBNIVWGS-HUUCEWRRSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001274771795 852590897 /nfs/dbraw/zinc/59/08/97/852590897.db2.gz HHDLYLCRUUHTAA-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001274771795 852590902 /nfs/dbraw/zinc/59/09/02/852590902.db2.gz HHDLYLCRUUHTAA-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001275036312 852764189 /nfs/dbraw/zinc/76/41/89/852764189.db2.gz SFEZRYIWSIGQGI-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001275036312 852764196 /nfs/dbraw/zinc/76/41/96/852764196.db2.gz SFEZRYIWSIGQGI-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275036311 852764581 /nfs/dbraw/zinc/76/45/81/852764581.db2.gz SFEZRYIWSIGQGI-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275036311 852764584 /nfs/dbraw/zinc/76/45/84/852764584.db2.gz SFEZRYIWSIGQGI-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001275805571 853792625 /nfs/dbraw/zinc/79/26/25/853792625.db2.gz KZJQPLUKGGKZEK-GDBMZVCRSA-N 2 2 304.438 1.803 20 30 DDEDLP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1C#N ZINC001156175764 862777310 /nfs/dbraw/zinc/77/73/10/862777310.db2.gz DTIZYDDSFWIYJA-UHFFFAOYSA-N 2 2 303.410 1.400 20 30 DDEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121842189 858610448 /nfs/dbraw/zinc/61/04/48/858610448.db2.gz YMHMMHFBDOHJKF-XOGYLQAWSA-N 2 2 314.433 1.875 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001121909276 858630199 /nfs/dbraw/zinc/63/01/99/858630199.db2.gz LVCRMFRDNRHFHP-GJZGRUSLSA-N 2 2 315.417 1.457 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001124044148 859548269 /nfs/dbraw/zinc/54/82/69/859548269.db2.gz QFMIZYGAZUFZRF-HNNXBMFYSA-N 2 2 300.406 1.224 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001124044148 859548275 /nfs/dbraw/zinc/54/82/75/859548275.db2.gz QFMIZYGAZUFZRF-HNNXBMFYSA-N 2 2 300.406 1.224 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919678 860954362 /nfs/dbraw/zinc/95/43/62/860954362.db2.gz VHCFZXNBFJQTRI-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001325919678 860954377 /nfs/dbraw/zinc/95/43/77/860954377.db2.gz VHCFZXNBFJQTRI-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP N#CCCN(Cc1cccnc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157731448 864085090 /nfs/dbraw/zinc/08/50/90/864085090.db2.gz YJTLRNGDMMTPCM-KRWDZBQOSA-N 2 2 323.400 1.596 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083275 864398048 /nfs/dbraw/zinc/39/80/48/864398048.db2.gz OWEZJBKMBWLKND-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083275 864398064 /nfs/dbraw/zinc/39/80/64/864398064.db2.gz OWEZJBKMBWLKND-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083275 864398077 /nfs/dbraw/zinc/39/80/77/864398077.db2.gz OWEZJBKMBWLKND-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083275 864398085 /nfs/dbraw/zinc/39/80/85/864398085.db2.gz OWEZJBKMBWLKND-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092566 864401229 /nfs/dbraw/zinc/40/12/29/864401229.db2.gz JOJSCJJKZPHBAB-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092566 864401239 /nfs/dbraw/zinc/40/12/39/864401239.db2.gz JOJSCJJKZPHBAB-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP Cc1ccc(CC#N)c(N2CCO[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC001158305288 864558780 /nfs/dbraw/zinc/55/87/80/864558780.db2.gz HBLJXQQMWHGKDF-INIZCTEOSA-N 2 2 300.406 1.757 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001320112616 866483626 /nfs/dbraw/zinc/48/36/26/866483626.db2.gz DXZZXEYUOPNPSH-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001320112616 866483637 /nfs/dbraw/zinc/48/36/37/866483637.db2.gz DXZZXEYUOPNPSH-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315614 866521655 /nfs/dbraw/zinc/52/16/55/866521655.db2.gz QQNJQGNZPAHRLM-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH+](CC1CC1)CC1(C[N@H+](CC#C)CC2CC2)COC1 ZINC001325170757 867838331 /nfs/dbraw/zinc/83/83/31/867838331.db2.gz CPXROESZUMGYHT-UHFFFAOYSA-N 2 2 300.446 1.693 20 30 DDEDLP C#CC[NH+](CC1CC1)CC1(C[N@@H+](CC#C)CC2CC2)COC1 ZINC001325170757 867838347 /nfs/dbraw/zinc/83/83/47/867838347.db2.gz CPXROESZUMGYHT-UHFFFAOYSA-N 2 2 300.446 1.693 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165835018 869727604 /nfs/dbraw/zinc/72/76/04/869727604.db2.gz FZDONNBTDPLZTE-CQSZACIVSA-N 2 2 302.422 1.508 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317043864 870156520 /nfs/dbraw/zinc/15/65/20/870156520.db2.gz KMDQOFONOOJCOY-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317043864 870156525 /nfs/dbraw/zinc/15/65/25/870156525.db2.gz KMDQOFONOOJCOY-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317043864 870156532 /nfs/dbraw/zinc/15/65/32/870156532.db2.gz KMDQOFONOOJCOY-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317043864 870156537 /nfs/dbraw/zinc/15/65/37/870156537.db2.gz KMDQOFONOOJCOY-BZUAXINKSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816486 870777281 /nfs/dbraw/zinc/77/72/81/870777281.db2.gz XXFWONBACVJPKH-HOTGVXAUSA-N 2 2 314.433 1.704 20 30 DDEDLP C#CCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001317689319 871416315 /nfs/dbraw/zinc/41/63/15/871416315.db2.gz ZMKDNJPUFYBISV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001317689319 871416326 /nfs/dbraw/zinc/41/63/26/871416326.db2.gz ZMKDNJPUFYBISV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP C#CCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001317689319 871416334 /nfs/dbraw/zinc/41/63/34/871416334.db2.gz ZMKDNJPUFYBISV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001317689319 871416343 /nfs/dbraw/zinc/41/63/43/871416343.db2.gz ZMKDNJPUFYBISV-HUUCEWRRSA-N 2 2 302.422 1.753 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516042 871600100 /nfs/dbraw/zinc/60/01/00/871600100.db2.gz LXZCOSZNTTVVKG-UHFFFAOYSA-N 2 2 315.417 1.484 20 30 DDEDLP CC[C@H](C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001318130270 871771203 /nfs/dbraw/zinc/77/12/03/871771203.db2.gz ULIZDHJMBMTGEA-GOSISDBHSA-N 2 2 313.445 1.426 20 30 DDEDLP C#CCC[N@H+](C)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001316827221 872124245 /nfs/dbraw/zinc/12/42/45/872124245.db2.gz XTWVFEAJAGDIDV-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[N@@H+](C)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001316827221 872124254 /nfs/dbraw/zinc/12/42/54/872124254.db2.gz XTWVFEAJAGDIDV-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001316827221 872124264 /nfs/dbraw/zinc/12/42/64/872124264.db2.gz XTWVFEAJAGDIDV-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001316827221 872124275 /nfs/dbraw/zinc/12/42/75/872124275.db2.gz XTWVFEAJAGDIDV-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C=CCCCC[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209202369 874725565 /nfs/dbraw/zinc/72/55/65/874725565.db2.gz BSKYKBZTTUNADO-UHFFFAOYSA-N 2 2 317.481 1.802 20 30 DDEDLP C=CCCCC[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209202369 874725575 /nfs/dbraw/zinc/72/55/75/874725575.db2.gz BSKYKBZTTUNADO-UHFFFAOYSA-N 2 2 317.481 1.802 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216181846 876884635 /nfs/dbraw/zinc/88/46/35/876884635.db2.gz IMPMDOSUCKMIDH-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP N#Cc1cccc2[nH]nc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)c21 ZINC001218657091 877644721 /nfs/dbraw/zinc/64/47/21/877644721.db2.gz ZZHZRDGBOOFMPZ-CYBMUJFWSA-N 2 2 320.356 1.645 20 30 DDEDLP C[C@@H](C#N)c1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218871739 877778536 /nfs/dbraw/zinc/77/85/36/877778536.db2.gz QZEZAVKEZJZWNP-BLLLJJGKSA-N 2 2 315.421 1.003 20 30 DDEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001379968410 878442817 /nfs/dbraw/zinc/44/28/17/878442817.db2.gz BNMOLRRCAYBMBY-DLBZAZTESA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)[NH+](C)C ZINC001379968410 878442826 /nfs/dbraw/zinc/44/28/26/878442826.db2.gz BNMOLRRCAYBMBY-DLBZAZTESA-N 2 2 314.433 1.589 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772044 880070279 /nfs/dbraw/zinc/07/02/79/880070279.db2.gz LZUPEWOFRJFLBA-ZIAGYGMSSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772044 880070293 /nfs/dbraw/zinc/07/02/93/880070293.db2.gz LZUPEWOFRJFLBA-ZIAGYGMSSA-N 2 2 311.857 1.613 20 30 DDEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222094108 880241108 /nfs/dbraw/zinc/24/11/08/880241108.db2.gz VCEOAPJHIXDDHX-QZTJIDSGSA-N 2 2 313.445 1.837 20 30 DDEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222094108 880241124 /nfs/dbraw/zinc/24/11/24/880241124.db2.gz VCEOAPJHIXDDHX-QZTJIDSGSA-N 2 2 313.445 1.837 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222094108 880241140 /nfs/dbraw/zinc/24/11/40/880241140.db2.gz VCEOAPJHIXDDHX-QZTJIDSGSA-N 2 2 313.445 1.837 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001222094108 880241153 /nfs/dbraw/zinc/24/11/53/880241153.db2.gz VCEOAPJHIXDDHX-QZTJIDSGSA-N 2 2 313.445 1.837 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001230018546 884280526 /nfs/dbraw/zinc/28/05/26/884280526.db2.gz BTOUJBXKAIXFDZ-HZPDHXFCSA-N 2 2 304.438 1.946 20 30 DDEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001277617868 886111751 /nfs/dbraw/zinc/11/17/51/886111751.db2.gz KOYNHWRPHPRPOE-UHFFFAOYSA-N 2 2 309.454 1.064 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001277702396 886542645 /nfs/dbraw/zinc/54/26/45/886542645.db2.gz KLEBDXSRZBDNQY-ZBFHGGJFSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437380 887968959 /nfs/dbraw/zinc/96/89/59/887968959.db2.gz VSMWVBNWFLJUDH-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437380 887968965 /nfs/dbraw/zinc/96/89/65/887968965.db2.gz VSMWVBNWFLJUDH-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[C@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247609095 893250805 /nfs/dbraw/zinc/25/08/05/893250805.db2.gz DWVJMIMXISDLJM-HNNXBMFYSA-N 2 2 311.389 1.512 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012805 897837646 /nfs/dbraw/zinc/83/76/46/897837646.db2.gz RIQIHWKODPKANT-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001368038917 898556544 /nfs/dbraw/zinc/55/65/44/898556544.db2.gz XLMJWMBDWSWZQO-UHFFFAOYSA-N 2 2 323.400 1.571 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001264514664 901160686 /nfs/dbraw/zinc/16/06/86/901160686.db2.gz DHTZRLQSKWQCLR-HOTGVXAUSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001265414945 901987917 /nfs/dbraw/zinc/98/79/17/901987917.db2.gz SPSHBJIMTKCEQZ-GASCZTMLSA-N 2 2 318.421 1.138 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001265414945 901987927 /nfs/dbraw/zinc/98/79/27/901987927.db2.gz SPSHBJIMTKCEQZ-GASCZTMLSA-N 2 2 318.421 1.138 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001265617594 902208601 /nfs/dbraw/zinc/20/86/01/902208601.db2.gz LWXPBJCANTYVPA-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001265736217 902352996 /nfs/dbraw/zinc/35/29/96/902352996.db2.gz LGERHPYFJPMZEL-QQFBHYJXSA-N 2 2 314.433 1.486 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598567 903405197 /nfs/dbraw/zinc/40/51/97/903405197.db2.gz CHNZGDYOAUCVPZ-INIZCTEOSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598567 903405202 /nfs/dbraw/zinc/40/52/02/903405202.db2.gz CHNZGDYOAUCVPZ-INIZCTEOSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001316598567 903405213 /nfs/dbraw/zinc/40/52/13/903405213.db2.gz CHNZGDYOAUCVPZ-INIZCTEOSA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001316598567 903405220 /nfs/dbraw/zinc/40/52/20/903405220.db2.gz CHNZGDYOAUCVPZ-INIZCTEOSA-N 2 2 305.466 1.805 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282879329 906142537 /nfs/dbraw/zinc/14/25/37/906142537.db2.gz VXZMTPUKEMGPBB-QSPRXWTASA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282879329 906142544 /nfs/dbraw/zinc/14/25/44/906142544.db2.gz VXZMTPUKEMGPBB-QSPRXWTASA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001282879329 906142549 /nfs/dbraw/zinc/14/25/49/906142549.db2.gz VXZMTPUKEMGPBB-QSPRXWTASA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001282879329 906142554 /nfs/dbraw/zinc/14/25/54/906142554.db2.gz VXZMTPUKEMGPBB-QSPRXWTASA-N 2 2 316.449 1.849 20 30 DDEDLP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001283456445 907378576 /nfs/dbraw/zinc/37/85/76/907378576.db2.gz DKXHMGQEVHWERH-RBSFLKMASA-N 2 2 302.422 1.277 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001377070656 920244481 /nfs/dbraw/zinc/24/44/81/920244481.db2.gz GHEZKBAUJGCMQO-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377215576 920662370 /nfs/dbraw/zinc/66/23/70/920662370.db2.gz MHFZRTMEUDXNQI-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377215576 920662380 /nfs/dbraw/zinc/66/23/80/920662380.db2.gz MHFZRTMEUDXNQI-UHFFFAOYSA-N 2 2 302.422 1.448 20 30 DDEDLP C[C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)N1CC[NH+](C)CC1 ZINC000328745283 539298614 /nfs/dbraw/zinc/29/86/14/539298614.db2.gz ABJUWNLUOQILJB-AWEZNQCLSA-N 2 2 315.421 1.469 20 30 DDEDLP C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000328838759 539299282 /nfs/dbraw/zinc/29/92/82/539299282.db2.gz YJOCYZSZIQJJQE-CQSZACIVSA-N 2 2 319.453 1.354 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000073615229 353262106 /nfs/dbraw/zinc/26/21/06/353262106.db2.gz XXNBBMIYCCMZKA-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000073615229 353262109 /nfs/dbraw/zinc/26/21/09/353262109.db2.gz XXNBBMIYCCMZKA-OAHLLOKOSA-N 2 2 314.433 1.543 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](CC(C)(C)CCC#N)CC2)cc[nH+]1 ZINC000093562911 353903054 /nfs/dbraw/zinc/90/30/54/353903054.db2.gz YBUKBIAJMNMDPW-UHFFFAOYSA-N 2 2 316.453 1.995 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320909529 354530309 /nfs/dbraw/zinc/53/03/09/354530309.db2.gz UWXRAMSMCOIKFB-NXHRZFHOSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000320909529 354530314 /nfs/dbraw/zinc/53/03/14/354530314.db2.gz UWXRAMSMCOIKFB-NXHRZFHOSA-N 2 2 315.417 1.514 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000594436844 356213475 /nfs/dbraw/zinc/21/34/75/356213475.db2.gz KAKPGQPJAAMMBN-UONOGXRCSA-N 2 2 301.394 1.188 20 30 DDEDLP Cc1nc(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)cc[nH+]1 ZINC000598604429 357650808 /nfs/dbraw/zinc/65/08/08/357650808.db2.gz NQPUDIJWDNMSFP-CQSZACIVSA-N 2 2 303.410 1.208 20 30 DDEDLP C=CC[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000625701252 367099247 /nfs/dbraw/zinc/09/92/47/367099247.db2.gz OHWRQQOGFKXRQH-HNNXBMFYSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797378 407132685 /nfs/dbraw/zinc/13/26/85/407132685.db2.gz ORSJLCAPJTYXNY-HNNXBMFYSA-N 2 2 323.481 1.642 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123439310 407329198 /nfs/dbraw/zinc/32/91/98/407329198.db2.gz MEVINFMZVIPZQI-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1C ZINC000123439310 407329200 /nfs/dbraw/zinc/32/92/00/407329200.db2.gz MEVINFMZVIPZQI-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439310 407329202 /nfs/dbraw/zinc/32/92/02/407329202.db2.gz MEVINFMZVIPZQI-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)CC[NH+]1C ZINC000123439310 407329204 /nfs/dbraw/zinc/32/92/04/407329204.db2.gz MEVINFMZVIPZQI-HUUCEWRRSA-N 2 2 306.454 1.744 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154558 407348346 /nfs/dbraw/zinc/34/83/46/407348346.db2.gz KCWLQNJOKFMNDC-QGZVFWFLSA-N 2 2 318.465 1.838 20 30 DDEDLP CC(C)CCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154558 407348348 /nfs/dbraw/zinc/34/83/48/407348348.db2.gz KCWLQNJOKFMNDC-QGZVFWFLSA-N 2 2 318.465 1.838 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000115546293 407690464 /nfs/dbraw/zinc/69/04/64/407690464.db2.gz GXMLVQMDFLOBGV-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000115546293 407690465 /nfs/dbraw/zinc/69/04/65/407690465.db2.gz GXMLVQMDFLOBGV-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP CC[C@@H]1CN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)CCS1 ZINC000262013731 407712491 /nfs/dbraw/zinc/71/24/91/407712491.db2.gz VIUNBXAHMIATQE-CYBMUJFWSA-N 2 2 324.498 1.389 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000176763352 408439068 /nfs/dbraw/zinc/43/90/68/408439068.db2.gz DNTYSPIPZAICSC-UHFFFAOYSA-N 2 2 304.438 1.847 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047923 408531828 /nfs/dbraw/zinc/53/18/28/408531828.db2.gz VPDPTICYQGXZBS-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047923 408531834 /nfs/dbraw/zinc/53/18/34/408531834.db2.gz VPDPTICYQGXZBS-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047923 408531836 /nfs/dbraw/zinc/53/18/36/408531836.db2.gz VPDPTICYQGXZBS-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000248047923 408531844 /nfs/dbraw/zinc/53/18/44/408531844.db2.gz VPDPTICYQGXZBS-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247974999 408523557 /nfs/dbraw/zinc/52/35/57/408523557.db2.gz KRIRZLSJKAGDTH-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247974999 408523560 /nfs/dbraw/zinc/52/35/60/408523560.db2.gz KRIRZLSJKAGDTH-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247974999 408523565 /nfs/dbraw/zinc/52/35/65/408523565.db2.gz KRIRZLSJKAGDTH-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247974999 408523566 /nfs/dbraw/zinc/52/35/66/408523566.db2.gz KRIRZLSJKAGDTH-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000264364779 408461535 /nfs/dbraw/zinc/46/15/35/408461535.db2.gz FGXCAPAVYCKROC-UHFFFAOYSA-N 2 2 313.405 1.784 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000270654678 408622175 /nfs/dbraw/zinc/62/21/75/408622175.db2.gz PJMPGRGLKSHIQY-UHFFFAOYSA-N 2 2 310.405 1.671 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000177912692 408735732 /nfs/dbraw/zinc/73/57/32/408735732.db2.gz OZXFVIGMUGYJIB-AWEZNQCLSA-N 2 2 312.421 1.963 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000291116529 408860395 /nfs/dbraw/zinc/86/03/95/408860395.db2.gz CQYYBLLRIYEBLD-UHFFFAOYSA-N 2 2 305.422 1.860 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081640 408986996 /nfs/dbraw/zinc/98/69/96/408986996.db2.gz OCBFBRYICGQSFJ-CABCVRRESA-N 2 2 314.433 1.537 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081640 408986998 /nfs/dbraw/zinc/98/69/98/408986998.db2.gz OCBFBRYICGQSFJ-CABCVRRESA-N 2 2 314.433 1.537 20 30 DDEDLP COCCNC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287193316 409005721 /nfs/dbraw/zinc/00/57/21/409005721.db2.gz LCXMXEKGZDLAEB-INIZCTEOSA-N 2 2 322.453 1.627 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+](Cc2ccccc2)C1 ZINC000289179029 409229930 /nfs/dbraw/zinc/22/99/30/409229930.db2.gz AEIDLQMLVAVOEZ-DOTOQJQBSA-N 2 2 324.432 1.650 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000289179029 409229933 /nfs/dbraw/zinc/22/99/33/409229933.db2.gz AEIDLQMLVAVOEZ-DOTOQJQBSA-N 2 2 324.432 1.650 20 30 DDEDLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706604 409959280 /nfs/dbraw/zinc/95/92/80/409959280.db2.gz PRQPXZCHCVSYHC-CYBMUJFWSA-N 2 2 317.437 1.987 20 30 DDEDLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706604 409959286 /nfs/dbraw/zinc/95/92/86/409959286.db2.gz PRQPXZCHCVSYHC-CYBMUJFWSA-N 2 2 317.437 1.987 20 30 DDEDLP N#Cc1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000356065769 410807426 /nfs/dbraw/zinc/80/74/26/410807426.db2.gz PKKUGGNPMBPHDJ-UHFFFAOYSA-N 2 2 306.435 1.559 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)COC3)CC2)cc1 ZINC000344295297 411077226 /nfs/dbraw/zinc/07/72/26/411077226.db2.gz JQZNLWPGKULNBW-UHFFFAOYSA-N 2 2 315.417 1.121 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360926908 418548465 /nfs/dbraw/zinc/54/84/65/418548465.db2.gz LAQDZKICTARUGD-ZACQAIPSSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360926908 418548467 /nfs/dbraw/zinc/54/84/67/418548467.db2.gz LAQDZKICTARUGD-ZACQAIPSSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360926908 418548471 /nfs/dbraw/zinc/54/84/71/418548471.db2.gz LAQDZKICTARUGD-ZACQAIPSSA-N 2 2 305.466 1.827 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360926908 418548473 /nfs/dbraw/zinc/54/84/73/418548473.db2.gz LAQDZKICTARUGD-ZACQAIPSSA-N 2 2 305.466 1.827 20 30 DDEDLP CCc1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000262518327 222284137 /nfs/dbraw/zinc/28/41/37/222284137.db2.gz HIXDULIPSFFMPW-UHFFFAOYSA-N 2 2 300.410 1.975 20 30 DDEDLP C[C@H](CNC1=[NH+]CCN1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000262641989 222287719 /nfs/dbraw/zinc/28/77/19/222287719.db2.gz HYWSZYRNMVXJMV-OAHLLOKOSA-N 2 2 301.438 1.088 20 30 DDEDLP C[C@H]1C[NH+]=C(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)N1 ZINC000262680372 222289850 /nfs/dbraw/zinc/28/98/50/222289850.db2.gz VVOFPRYEYJFAQH-DZGCQCFKSA-N 2 2 304.463 1.541 20 30 DDEDLP C[C@H]1C[NH+]=C(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)N1 ZINC000262680372 222289854 /nfs/dbraw/zinc/28/98/54/222289854.db2.gz VVOFPRYEYJFAQH-DZGCQCFKSA-N 2 2 304.463 1.541 20 30 DDEDLP CCCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264103914 222318425 /nfs/dbraw/zinc/31/84/25/222318425.db2.gz NFQYURAVMWLTBN-MRXNPFEDSA-N 2 2 304.438 1.592 20 30 DDEDLP CCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264103914 222318427 /nfs/dbraw/zinc/31/84/27/222318427.db2.gz NFQYURAVMWLTBN-MRXNPFEDSA-N 2 2 304.438 1.592 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000372821782 418905679 /nfs/dbraw/zinc/90/56/79/418905679.db2.gz JUZWXGHAXBLQMC-MRXNPFEDSA-N 2 2 314.433 1.530 20 30 DDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144254 418929633 /nfs/dbraw/zinc/92/96/33/418929633.db2.gz ZNABDMVWZBBKGU-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144254 418929634 /nfs/dbraw/zinc/92/96/34/418929634.db2.gz ZNABDMVWZBBKGU-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144254 418929635 /nfs/dbraw/zinc/92/96/35/418929635.db2.gz ZNABDMVWZBBKGU-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000373144254 418929636 /nfs/dbraw/zinc/92/96/36/418929636.db2.gz ZNABDMVWZBBKGU-RDJZCZTQSA-N 2 2 312.417 1.913 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423375784 420030082 /nfs/dbraw/zinc/03/00/82/420030082.db2.gz IVDCCABQMWXSTH-HNNXBMFYSA-N 2 2 309.360 1.731 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425720684 420438214 /nfs/dbraw/zinc/43/82/14/420438214.db2.gz FADJIOXCCAOHES-UONOGXRCSA-N 2 2 307.442 1.004 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000575796628 422327510 /nfs/dbraw/zinc/32/75/10/422327510.db2.gz FRDKSARAYDIECO-RVKKMQEKSA-N 2 2 317.433 1.160 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000575796628 422327515 /nfs/dbraw/zinc/32/75/15/422327515.db2.gz FRDKSARAYDIECO-RVKKMQEKSA-N 2 2 317.433 1.160 20 30 DDEDLP C=CCCn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)nn1 ZINC000653555485 423528080 /nfs/dbraw/zinc/52/80/80/423528080.db2.gz AEUSTHUUAFOYJR-UHFFFAOYSA-N 2 2 307.442 1.397 20 30 DDEDLP C=CC[C@]1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCC[NH2+]1 ZINC000662737542 424751532 /nfs/dbraw/zinc/75/15/32/424751532.db2.gz NPSYWVNOVJINIP-GOSISDBHSA-N 2 2 312.417 2.000 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711596 267234662 /nfs/dbraw/zinc/23/46/62/267234662.db2.gz XPLHHHDZMADZDH-YOEHRIQHSA-N 2 2 302.422 1.609 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711596 267234666 /nfs/dbraw/zinc/23/46/66/267234666.db2.gz XPLHHHDZMADZDH-YOEHRIQHSA-N 2 2 302.422 1.609 20 30 DDEDLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129406649 281343037 /nfs/dbraw/zinc/34/30/37/281343037.db2.gz ALDFSHHDSIWZMM-COXVUDFISA-N 2 2 323.400 1.864 20 30 DDEDLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129406649 281343039 /nfs/dbraw/zinc/34/30/39/281343039.db2.gz ALDFSHHDSIWZMM-COXVUDFISA-N 2 2 323.400 1.864 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000576276807 308302475 /nfs/dbraw/zinc/30/24/75/308302475.db2.gz WRRCASMHFGSJTA-UHFFFAOYSA-N 2 2 323.400 1.489 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000576276807 308302476 /nfs/dbraw/zinc/30/24/76/308302476.db2.gz WRRCASMHFGSJTA-UHFFFAOYSA-N 2 2 323.400 1.489 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150810096 332196422 /nfs/dbraw/zinc/19/64/22/332196422.db2.gz GEEONGVVKDAHKM-NVXWUHKLSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150810096 332196423 /nfs/dbraw/zinc/19/64/23/332196423.db2.gz GEEONGVVKDAHKM-NVXWUHKLSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150810123 332196437 /nfs/dbraw/zinc/19/64/37/332196437.db2.gz GEEONGVVKDAHKM-WBVHZDCISA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150810123 332196438 /nfs/dbraw/zinc/19/64/38/332196438.db2.gz GEEONGVVKDAHKM-WBVHZDCISA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)(CCC#N)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000376815289 337041914 /nfs/dbraw/zinc/04/19/14/337041914.db2.gz UQSZQZOLHNADBR-UHFFFAOYSA-N 2 2 322.497 1.703 20 30 DDEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000376815289 337041915 /nfs/dbraw/zinc/04/19/15/337041915.db2.gz UQSZQZOLHNADBR-UHFFFAOYSA-N 2 2 322.497 1.703 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C ZINC000329737325 533888010 /nfs/dbraw/zinc/88/80/10/533888010.db2.gz MBASRLZSMPVMSA-JHJVBQTASA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C ZINC000329737325 533888013 /nfs/dbraw/zinc/88/80/13/533888013.db2.gz MBASRLZSMPVMSA-JHJVBQTASA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000329737325 533888019 /nfs/dbraw/zinc/88/80/19/533888019.db2.gz MBASRLZSMPVMSA-JHJVBQTASA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000329737325 533888030 /nfs/dbraw/zinc/88/80/30/533888030.db2.gz MBASRLZSMPVMSA-JHJVBQTASA-N 2 2 305.426 1.596 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccncc2CC)CC1 ZINC000490932770 526950803 /nfs/dbraw/zinc/95/08/03/526950803.db2.gz AHAUKOBBRJZXCZ-OAHLLOKOSA-N 2 2 314.433 1.072 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000491783378 526982010 /nfs/dbraw/zinc/98/20/10/526982010.db2.gz JNQOIQJTDHVPDW-UHFFFAOYSA-N 2 2 313.445 1.552 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000491783378 526982012 /nfs/dbraw/zinc/98/20/12/526982012.db2.gz JNQOIQJTDHVPDW-UHFFFAOYSA-N 2 2 313.445 1.552 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000491420440 526982110 /nfs/dbraw/zinc/98/21/10/526982110.db2.gz YBSWUUWDYZCATR-UHFFFAOYSA-N 2 2 313.445 1.770 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000491420440 526982116 /nfs/dbraw/zinc/98/21/16/526982116.db2.gz YBSWUUWDYZCATR-UHFFFAOYSA-N 2 2 313.445 1.770 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000330877457 527829551 /nfs/dbraw/zinc/82/95/51/527829551.db2.gz WQUKNEHIUKNMJY-KBPBESRZSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000330877457 527829558 /nfs/dbraw/zinc/82/95/58/527829558.db2.gz WQUKNEHIUKNMJY-KBPBESRZSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000330877457 527829562 /nfs/dbraw/zinc/82/95/62/527829562.db2.gz WQUKNEHIUKNMJY-KBPBESRZSA-N 2 2 312.458 1.477 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000330877457 527829567 /nfs/dbraw/zinc/82/95/67/527829567.db2.gz WQUKNEHIUKNMJY-KBPBESRZSA-N 2 2 312.458 1.477 20 30 DDEDLP CCN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960142 529108240 /nfs/dbraw/zinc/10/82/40/529108240.db2.gz NTKVMVCFZNCPMB-AWEZNQCLSA-N 2 2 320.441 1.097 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000972616014 695299796 /nfs/dbraw/zinc/29/97/96/695299796.db2.gz WJNOOQPOKAELNM-QGZVFWFLSA-N 2 2 318.421 1.222 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000972616014 695299797 /nfs/dbraw/zinc/29/97/97/695299797.db2.gz WJNOOQPOKAELNM-QGZVFWFLSA-N 2 2 318.421 1.222 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974761482 695729202 /nfs/dbraw/zinc/72/92/02/695729202.db2.gz CQYRFWUWVGBOCM-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974761482 695729204 /nfs/dbraw/zinc/72/92/04/695729204.db2.gz CQYRFWUWVGBOCM-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@@H+]1CCOC(C)(C)C1 ZINC000170912930 697352098 /nfs/dbraw/zinc/35/20/98/697352098.db2.gz XYLIIKXHISGEBY-UHFFFAOYSA-N 2 2 318.465 1.805 20 30 DDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+]1CCOC(C)(C)C1 ZINC000170912930 697352100 /nfs/dbraw/zinc/35/21/00/697352100.db2.gz XYLIIKXHISGEBY-UHFFFAOYSA-N 2 2 318.465 1.805 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799064 697575808 /nfs/dbraw/zinc/57/58/08/697575808.db2.gz BYHYVYDQDYERLH-QGZVFWFLSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799064 697575810 /nfs/dbraw/zinc/57/58/10/697575810.db2.gz BYHYVYDQDYERLH-QGZVFWFLSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122641 699239594 /nfs/dbraw/zinc/23/95/94/699239594.db2.gz WNKHRVCVMNEMKY-SMKXDYDZSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122641 699239598 /nfs/dbraw/zinc/23/95/98/699239598.db2.gz WNKHRVCVMNEMKY-SMKXDYDZSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122641 699239601 /nfs/dbraw/zinc/23/96/01/699239601.db2.gz WNKHRVCVMNEMKY-SMKXDYDZSA-N 2 2 300.406 1.812 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122641 699239604 /nfs/dbraw/zinc/23/96/04/699239604.db2.gz WNKHRVCVMNEMKY-SMKXDYDZSA-N 2 2 300.406 1.812 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC000760308784 700801564 /nfs/dbraw/zinc/80/15/64/700801564.db2.gz OEFFOTGCOCDGEF-UHFFFAOYSA-N 2 2 323.360 1.333 20 30 DDEDLP C#C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000817274433 702322922 /nfs/dbraw/zinc/32/29/22/702322922.db2.gz DSOWVRGOAKWSFK-OALUTQOASA-N 2 2 314.429 1.789 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656967 702437632 /nfs/dbraw/zinc/43/76/32/702437632.db2.gz SCDGSCPJRMIKGG-UHFFFAOYSA-N 3 2 322.497 1.123 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656967 702437635 /nfs/dbraw/zinc/43/76/35/702437635.db2.gz SCDGSCPJRMIKGG-UHFFFAOYSA-N 3 2 322.497 1.123 20 30 DDEDLP COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1C#N ZINC000817915219 702519223 /nfs/dbraw/zinc/51/92/23/702519223.db2.gz JDTBRNXYRKVPLW-DLBZAZTESA-N 2 2 301.390 1.423 20 30 DDEDLP C=CCC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245146 702689122 /nfs/dbraw/zinc/68/91/22/702689122.db2.gz VKVKFZQWSWYUED-CABCVRRESA-N 2 2 320.437 1.042 20 30 DDEDLP C=CCC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245146 702689124 /nfs/dbraw/zinc/68/91/24/702689124.db2.gz VKVKFZQWSWYUED-CABCVRRESA-N 2 2 320.437 1.042 20 30 DDEDLP C#CC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000842636587 702747054 /nfs/dbraw/zinc/74/70/54/702747054.db2.gz IZKBTUYVPWVAOB-KRWDZBQOSA-N 2 2 303.406 1.206 20 30 DDEDLP COc1c(C)c[nH+]c(CNC(=O)[C@H]([NH3+])CCCCC#N)c1C ZINC000848411627 703547627 /nfs/dbraw/zinc/54/76/27/703547627.db2.gz AMAXVJCNECIHRF-CYBMUJFWSA-N 2 2 304.394 1.735 20 30 DDEDLP C#C[C@H](CC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000854078902 704353718 /nfs/dbraw/zinc/35/37/18/704353718.db2.gz RVAXPBIWZBAWIO-MRXNPFEDSA-N 2 2 320.481 1.600 20 30 DDEDLP C#C[C@H](CC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000854078902 704353720 /nfs/dbraw/zinc/35/37/20/704353720.db2.gz RVAXPBIWZBAWIO-MRXNPFEDSA-N 2 2 320.481 1.600 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000822935387 705087521 /nfs/dbraw/zinc/08/75/21/705087521.db2.gz SBOOIQFRVPURML-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000822935387 705087524 /nfs/dbraw/zinc/08/75/24/705087524.db2.gz SBOOIQFRVPURML-SFHVURJKSA-N 2 2 317.477 1.951 20 30 DDEDLP COCC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865432478 706429810 /nfs/dbraw/zinc/42/98/10/706429810.db2.gz YDYRLYIOTMDUPV-UHFFFAOYSA-N 2 2 316.449 1.825 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000900870813 709800688 /nfs/dbraw/zinc/80/06/88/709800688.db2.gz KNMPYTWVKIYYQQ-UHFFFAOYSA-N 2 2 303.397 1.682 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000900870813 709800692 /nfs/dbraw/zinc/80/06/92/709800692.db2.gz KNMPYTWVKIYYQQ-UHFFFAOYSA-N 2 2 303.397 1.682 20 30 DDEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903827766 711292904 /nfs/dbraw/zinc/29/29/04/711292904.db2.gz WRGAGYAKLVBZJO-IRXDYDNUSA-N 2 2 315.442 1.982 20 30 DDEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903827766 711292907 /nfs/dbraw/zinc/29/29/07/711292907.db2.gz WRGAGYAKLVBZJO-IRXDYDNUSA-N 2 2 315.442 1.982 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000928653496 713252928 /nfs/dbraw/zinc/25/29/28/713252928.db2.gz OLUXZAHODUKWML-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000928653496 713252931 /nfs/dbraw/zinc/25/29/31/713252931.db2.gz OLUXZAHODUKWML-DLBZAZTESA-N 2 2 321.465 1.090 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000925811951 714941515 /nfs/dbraw/zinc/94/15/15/714941515.db2.gz FZTKOSXNGSURTF-USXIJHARSA-N 2 2 303.381 1.944 20 30 DDEDLP C=CC[NH+]1CC(N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000957111942 715753296 /nfs/dbraw/zinc/75/32/96/715753296.db2.gz WPTKCWCGGPSWQX-UHFFFAOYSA-N 2 2 305.466 1.827 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212124 716863138 /nfs/dbraw/zinc/86/31/38/716863138.db2.gz DHYNJRONLCBLDK-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000961212124 716863143 /nfs/dbraw/zinc/86/31/43/716863143.db2.gz DHYNJRONLCBLDK-IRXDYDNUSA-N 2 2 314.433 1.467 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000962061346 717291110 /nfs/dbraw/zinc/29/11/10/717291110.db2.gz VSHWNHKJOSSYAE-VQFNDLOPSA-N 2 2 324.428 1.808 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000962061346 717291115 /nfs/dbraw/zinc/29/11/15/717291115.db2.gz VSHWNHKJOSSYAE-VQFNDLOPSA-N 2 2 324.428 1.808 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517904 717713840 /nfs/dbraw/zinc/71/38/40/717713840.db2.gz ISADXSQESLLFSW-BXUZGUMPSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517904 717713843 /nfs/dbraw/zinc/71/38/43/717713843.db2.gz ISADXSQESLLFSW-BXUZGUMPSA-N 2 2 310.829 1.771 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120430 718257968 /nfs/dbraw/zinc/25/79/68/718257968.db2.gz DZPDWLDTYNSENT-GOEBONIOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120430 718257970 /nfs/dbraw/zinc/25/79/70/718257970.db2.gz DZPDWLDTYNSENT-GOEBONIOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557511 719211040 /nfs/dbraw/zinc/21/10/40/719211040.db2.gz YNKUHLWSWKMQSL-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557511 719211041 /nfs/dbraw/zinc/21/10/41/719211041.db2.gz YNKUHLWSWKMQSL-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948455320 719507567 /nfs/dbraw/zinc/50/75/67/719507567.db2.gz AXKJWNFPAKXVMS-ARFHVFGLSA-N 2 2 314.433 1.849 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948455320 719507572 /nfs/dbraw/zinc/50/75/72/719507572.db2.gz AXKJWNFPAKXVMS-ARFHVFGLSA-N 2 2 314.433 1.849 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948455320 719507574 /nfs/dbraw/zinc/50/75/74/719507574.db2.gz AXKJWNFPAKXVMS-ARFHVFGLSA-N 2 2 314.433 1.849 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948455320 719507579 /nfs/dbraw/zinc/50/75/79/719507579.db2.gz AXKJWNFPAKXVMS-ARFHVFGLSA-N 2 2 314.433 1.849 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000968537367 719652623 /nfs/dbraw/zinc/65/26/23/719652623.db2.gz STSFLDYILKFKFJ-MRXNPFEDSA-N 2 2 323.400 1.605 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949254235 719976761 /nfs/dbraw/zinc/97/67/61/719976761.db2.gz XKEZYSQBCIBOGH-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969838262 720528197 /nfs/dbraw/zinc/52/81/97/720528197.db2.gz XNZFMVSCRGKFKZ-UKRRQHHQSA-N 2 2 300.406 1.220 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969995254 720590657 /nfs/dbraw/zinc/59/06/57/720590657.db2.gz CPORCPZRMZTXQP-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663319 735497105 /nfs/dbraw/zinc/49/71/05/735497105.db2.gz NIDNZXDEEJYJLG-JXQTWKCFSA-N 2 2 300.406 1.337 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001022494441 734567008 /nfs/dbraw/zinc/56/70/08/734567008.db2.gz LSLMUJYJYHUJMT-IXDOHACOSA-N 2 2 321.465 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001022494441 734567016 /nfs/dbraw/zinc/56/70/16/734567016.db2.gz LSLMUJYJYHUJMT-IXDOHACOSA-N 2 2 321.465 1.300 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520133 735888708 /nfs/dbraw/zinc/88/87/08/735888708.db2.gz DIPXCLITGQGKPZ-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520133 735888711 /nfs/dbraw/zinc/88/87/11/735888711.db2.gz DIPXCLITGQGKPZ-AWEZNQCLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167732475 737229290 /nfs/dbraw/zinc/22/92/90/737229290.db2.gz DKBGDAKMWRDLLS-UHFFFAOYSA-N 2 2 310.829 1.591 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]12 ZINC001026411736 737505911 /nfs/dbraw/zinc/50/59/11/737505911.db2.gz ZBAQNHXDAZCZBU-HZSPNIEDSA-N 2 2 322.840 1.840 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979623 738901026 /nfs/dbraw/zinc/90/10/26/738901026.db2.gz FTIVYLYEXDYZOD-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997980463 751438597 /nfs/dbraw/zinc/43/85/97/751438597.db2.gz YHMOHFZFHPFKCE-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997980463 751438599 /nfs/dbraw/zinc/43/85/99/751438599.db2.gz YHMOHFZFHPFKCE-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997980463 751438601 /nfs/dbraw/zinc/43/86/01/751438601.db2.gz YHMOHFZFHPFKCE-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997980463 751438604 /nfs/dbraw/zinc/43/86/04/751438604.db2.gz YHMOHFZFHPFKCE-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 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C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001051256102 764679841 /nfs/dbraw/zinc/67/98/41/764679841.db2.gz VADQBOMUVPVNSV-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001051256102 764679845 /nfs/dbraw/zinc/67/98/45/764679845.db2.gz VADQBOMUVPVNSV-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256102 764679851 /nfs/dbraw/zinc/67/98/51/764679851.db2.gz VADQBOMUVPVNSV-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256102 764679858 /nfs/dbraw/zinc/67/98/58/764679858.db2.gz VADQBOMUVPVNSV-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001113037212 765174463 /nfs/dbraw/zinc/17/44/63/765174463.db2.gz AWHMOGVCIMOULE-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001113053665 765196993 /nfs/dbraw/zinc/19/69/93/765196993.db2.gz LZPLJJHMIXKFBB-AWEZNQCLSA-N 2 2 320.437 1.849 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052489708 765879140 /nfs/dbraw/zinc/87/91/40/765879140.db2.gz QBWAZAFOWXPNMQ-MRXNPFEDSA-N 2 2 315.417 1.627 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052489708 765879147 /nfs/dbraw/zinc/87/91/47/765879147.db2.gz QBWAZAFOWXPNMQ-MRXNPFEDSA-N 2 2 315.417 1.627 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045479695 766338380 /nfs/dbraw/zinc/33/83/80/766338380.db2.gz FOUXSKOSYJWAEI-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045483085 766340898 /nfs/dbraw/zinc/34/08/98/766340898.db2.gz HTGRHVSTOYIKBI-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157748655 766464567 /nfs/dbraw/zinc/46/45/67/766464567.db2.gz RCKZFTBPHXWPOA-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157748655 766464571 /nfs/dbraw/zinc/46/45/71/766464571.db2.gz RCKZFTBPHXWPOA-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157748655 766464574 /nfs/dbraw/zinc/46/45/74/766464574.db2.gz RCKZFTBPHXWPOA-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157748655 766464578 /nfs/dbraw/zinc/46/45/78/766464578.db2.gz RCKZFTBPHXWPOA-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416186 766874303 /nfs/dbraw/zinc/87/43/03/766874303.db2.gz FVULHKSJDZWTHB-MRXNPFEDSA-N 2 2 323.400 1.538 20 30 DDEDLP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001071091354 768939348 /nfs/dbraw/zinc/93/93/48/768939348.db2.gz ALUVWCSDOXVTEB-WBVHZDCISA-N 2 2 318.421 1.124 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161595 769074821 /nfs/dbraw/zinc/07/48/21/769074821.db2.gz MROLAICUONCNIE-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161595 769074829 /nfs/dbraw/zinc/07/48/29/769074829.db2.gz MROLAICUONCNIE-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782889 769191143 /nfs/dbraw/zinc/19/11/43/769191143.db2.gz VJFYPSATRQMKPD-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1C ZINC001132925123 769327627 /nfs/dbraw/zinc/32/76/27/769327627.db2.gz TXKFKVPBGPRNCG-GOEBONIOSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289097 769667005 /nfs/dbraw/zinc/66/70/05/769667005.db2.gz PRYXUTNIOQGQCN-CVEARBPZSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049392284 770774284 /nfs/dbraw/zinc/77/42/84/770774284.db2.gz XHVYWZVBLXGSBZ-GVDBMIGSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049392284 770774290 /nfs/dbraw/zinc/77/42/90/770774290.db2.gz XHVYWZVBLXGSBZ-GVDBMIGSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049392284 770774293 /nfs/dbraw/zinc/77/42/93/770774293.db2.gz XHVYWZVBLXGSBZ-GVDBMIGSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049392284 770774301 /nfs/dbraw/zinc/77/43/01/770774301.db2.gz XHVYWZVBLXGSBZ-GVDBMIGSSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867599 771219071 /nfs/dbraw/zinc/21/90/71/771219071.db2.gz NUXISOAJKYSBMB-HZPDHXFCSA-N 2 2 302.422 1.902 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867599 771219075 /nfs/dbraw/zinc/21/90/75/771219075.db2.gz NUXISOAJKYSBMB-HZPDHXFCSA-N 2 2 302.422 1.902 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706226 772922707 /nfs/dbraw/zinc/92/27/07/772922707.db2.gz BOAKXHZFMPDLSF-HOTGVXAUSA-N 2 2 320.437 1.186 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748695 774248889 /nfs/dbraw/zinc/24/88/89/774248889.db2.gz IZGBZFINEUOMKK-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](C)C1 ZINC001092748695 774248892 /nfs/dbraw/zinc/24/88/92/774248892.db2.gz IZGBZFINEUOMKK-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748695 774248905 /nfs/dbraw/zinc/24/89/05/774248905.db2.gz IZGBZFINEUOMKK-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](C)C1 ZINC001092748695 774248907 /nfs/dbraw/zinc/24/89/07/774248907.db2.gz IZGBZFINEUOMKK-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777576 774590753 /nfs/dbraw/zinc/59/07/53/774590753.db2.gz FCZAFMXRDBSXMU-GJZGRUSLSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777576 774590755 /nfs/dbraw/zinc/59/07/55/774590755.db2.gz FCZAFMXRDBSXMU-GJZGRUSLSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001098760078 774665689 /nfs/dbraw/zinc/66/56/89/774665689.db2.gz OKFGBRNAPXRUDL-LZWOXQAQSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001098760078 774665690 /nfs/dbraw/zinc/66/56/90/774665690.db2.gz OKFGBRNAPXRUDL-LZWOXQAQSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098760078 774665693 /nfs/dbraw/zinc/66/56/93/774665693.db2.gz OKFGBRNAPXRUDL-LZWOXQAQSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098760078 774665695 /nfs/dbraw/zinc/66/56/95/774665695.db2.gz OKFGBRNAPXRUDL-LZWOXQAQSA-N 2 2 311.857 1.804 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC001093572899 774845845 /nfs/dbraw/zinc/84/58/45/774845845.db2.gz VKHNMVBZJKAJRF-YOEHRIQHSA-N 2 2 321.465 1.062 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC001093572899 774845855 /nfs/dbraw/zinc/84/58/55/774845855.db2.gz VKHNMVBZJKAJRF-YOEHRIQHSA-N 2 2 321.465 1.062 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001099260925 774921785 /nfs/dbraw/zinc/92/17/85/774921785.db2.gz CZDMLWWAFYWIOR-VXGBXAGGSA-N 2 2 316.327 1.507 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001099333401 774951069 /nfs/dbraw/zinc/95/10/69/774951069.db2.gz YRVMVXCXVFKWOY-VXGBXAGGSA-N 2 2 316.327 1.128 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870388 775007539 /nfs/dbraw/zinc/00/75/39/775007539.db2.gz UDPLUJDJSSRYGD-KGLIPLIRSA-N 2 2 300.406 1.243 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036870388 775007548 /nfs/dbraw/zinc/00/75/48/775007548.db2.gz UDPLUJDJSSRYGD-KGLIPLIRSA-N 2 2 300.406 1.243 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036879886 775923906 /nfs/dbraw/zinc/92/39/06/775923906.db2.gz VWVPMNPKVMFHCH-ZFWWWQNUSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036879886 775923913 /nfs/dbraw/zinc/92/39/13/775923913.db2.gz VWVPMNPKVMFHCH-ZFWWWQNUSA-N 2 2 322.840 1.936 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095045848 777046662 /nfs/dbraw/zinc/04/66/62/777046662.db2.gz OFEMEIWSYVJUHS-IHRRRGAJSA-N 2 2 322.840 1.982 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001174681953 777550173 /nfs/dbraw/zinc/55/01/73/777550173.db2.gz CVEMXFIAHZTLNZ-UHFFFAOYSA-N 2 2 311.389 1.428 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927910 777689904 /nfs/dbraw/zinc/68/99/04/777689904.db2.gz QYXPGCHUXQRHNH-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927910 777689905 /nfs/dbraw/zinc/68/99/05/777689905.db2.gz QYXPGCHUXQRHNH-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415134 778125214 /nfs/dbraw/zinc/12/52/14/778125214.db2.gz YRRQHXSUEAHSRX-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102415134 778125218 /nfs/dbraw/zinc/12/52/18/778125218.db2.gz YRRQHXSUEAHSRX-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162709 778680877 /nfs/dbraw/zinc/68/08/77/778680877.db2.gz HRDOCKAIHCEOFF-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162709 778680879 /nfs/dbraw/zinc/68/08/79/778680879.db2.gz HRDOCKAIHCEOFF-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479107 778888413 /nfs/dbraw/zinc/88/84/13/778888413.db2.gz GOPPDXBGXOIOIS-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479107 778888415 /nfs/dbraw/zinc/88/84/15/778888415.db2.gz GOPPDXBGXOIOIS-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178853654 779200735 /nfs/dbraw/zinc/20/07/35/779200735.db2.gz MXWHNKYWAGPUCS-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179018761 779247153 /nfs/dbraw/zinc/24/71/53/779247153.db2.gz HRDFRCBHOCTECK-JYJNAYRXSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331790 779723942 /nfs/dbraw/zinc/72/39/42/779723942.db2.gz RRBDMRTXQLTLJR-YJBOKZPZSA-N 2 2 314.433 1.584 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190128 779934444 /nfs/dbraw/zinc/93/44/44/779934444.db2.gz KAVYBSLVVYZVNJ-KMANFZQXSA-N 2 2 316.449 1.754 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190128 779934452 /nfs/dbraw/zinc/93/44/52/779934452.db2.gz KAVYBSLVVYZVNJ-KMANFZQXSA-N 2 2 316.449 1.754 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765952 780411664 /nfs/dbraw/zinc/41/16/64/780411664.db2.gz NENGRGWDBSESDB-CQSZACIVSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765952 780411668 /nfs/dbraw/zinc/41/16/68/780411668.db2.gz NENGRGWDBSESDB-CQSZACIVSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267142186 837410031 /nfs/dbraw/zinc/41/00/31/837410031.db2.gz QPVMEQMDEOGNRK-DOTOQJQBSA-N 2 2 321.465 1.138 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267142186 837410040 /nfs/dbraw/zinc/41/00/40/837410040.db2.gz QPVMEQMDEOGNRK-DOTOQJQBSA-N 2 2 321.465 1.138 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306798 837794116 /nfs/dbraw/zinc/79/41/16/837794116.db2.gz XUFJMLGAGBAEGA-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306798 837794127 /nfs/dbraw/zinc/79/41/27/837794127.db2.gz XUFJMLGAGBAEGA-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306798 837794128 /nfs/dbraw/zinc/79/41/28/837794128.db2.gz XUFJMLGAGBAEGA-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306798 837794137 /nfs/dbraw/zinc/79/41/37/837794137.db2.gz XUFJMLGAGBAEGA-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001266493922 836344009 /nfs/dbraw/zinc/34/40/09/836344009.db2.gz HBSVNWZIAZNCGT-BBWFWOEESA-N 2 2 305.466 1.805 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001266493922 836344021 /nfs/dbraw/zinc/34/40/21/836344021.db2.gz HBSVNWZIAZNCGT-BBWFWOEESA-N 2 2 305.466 1.805 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266859870 836952291 /nfs/dbraw/zinc/95/22/91/836952291.db2.gz RFAZZAJQIJSZSN-ROUUACIJSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266859870 836952304 /nfs/dbraw/zinc/95/23/04/836952304.db2.gz RFAZZAJQIJSZSN-ROUUACIJSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766465 838910945 /nfs/dbraw/zinc/91/09/45/838910945.db2.gz JCMADJXWHBGDPI-CVEARBPZSA-N 2 2 302.422 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766465 838910949 /nfs/dbraw/zinc/91/09/49/838910949.db2.gz JCMADJXWHBGDPI-CVEARBPZSA-N 2 2 302.422 1.636 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001269234918 841393278 /nfs/dbraw/zinc/39/32/78/841393278.db2.gz GIPREXMHQLWFPO-LSDHHAIUSA-N 2 2 302.422 1.610 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001269234918 841393290 /nfs/dbraw/zinc/39/32/90/841393290.db2.gz GIPREXMHQLWFPO-LSDHHAIUSA-N 2 2 302.422 1.610 20 30 DDEDLP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269623650 841867302 /nfs/dbraw/zinc/86/73/02/841867302.db2.gz YUAMBIQMLMUAIH-KDOFPFPSSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001326367090 861307891 /nfs/dbraw/zinc/30/78/91/861307891.db2.gz AQGLYANUNBBIIG-RBSFLKMASA-N 2 2 302.422 1.538 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996988581 847057343 /nfs/dbraw/zinc/05/73/43/847057343.db2.gz KATXCBWIDGDVEU-AWEZNQCLSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327224969 861978254 /nfs/dbraw/zinc/97/82/54/861978254.db2.gz IMUDSRZIJFDWIP-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327224969 861978261 /nfs/dbraw/zinc/97/82/61/861978261.db2.gz IMUDSRZIJFDWIP-OAHLLOKOSA-N 2 2 302.422 1.249 20 30 DDEDLP C#CCCC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273541654 851077753 /nfs/dbraw/zinc/07/77/53/851077753.db2.gz HEPXHETWXSEELA-QGZVFWFLSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273541654 851077758 /nfs/dbraw/zinc/07/77/58/851077758.db2.gz HEPXHETWXSEELA-QGZVFWFLSA-N 2 2 300.406 1.363 20 30 DDEDLP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001273548527 851083584 /nfs/dbraw/zinc/08/35/84/851083584.db2.gz WGKXGILRXOKMKO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001273548527 851083588 /nfs/dbraw/zinc/08/35/88/851083588.db2.gz WGKXGILRXOKMKO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001273548527 851083598 /nfs/dbraw/zinc/08/35/98/851083598.db2.gz WGKXGILRXOKMKO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001273548527 851083604 /nfs/dbraw/zinc/08/36/04/851083604.db2.gz WGKXGILRXOKMKO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507489 862285061 /nfs/dbraw/zinc/28/50/61/862285061.db2.gz GZDMQPGDCGAFLV-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507489 862285077 /nfs/dbraw/zinc/28/50/77/862285077.db2.gz GZDMQPGDCGAFLV-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)n1 ZINC001275605147 853424668 /nfs/dbraw/zinc/42/46/68/853424668.db2.gz DXTUUHQWEYBMKB-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)n1 ZINC001275605147 853424672 /nfs/dbraw/zinc/42/46/72/853424672.db2.gz DXTUUHQWEYBMKB-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ncc[nH]2)CC3)cc1C#N ZINC001275846759 853864227 /nfs/dbraw/zinc/86/42/27/853864227.db2.gz BZECIXUENFUMIJ-UHFFFAOYSA-N 2 2 324.432 1.718 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741115 855264284 /nfs/dbraw/zinc/26/42/84/855264284.db2.gz RPBAGKGXWIHKNU-PVAVHDDUSA-N 2 2 321.384 1.236 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741115 855264290 /nfs/dbraw/zinc/26/42/90/855264290.db2.gz RPBAGKGXWIHKNU-PVAVHDDUSA-N 2 2 321.384 1.236 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870331 857825611 /nfs/dbraw/zinc/82/56/11/857825611.db2.gz FPIRVMVYZPATPD-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001121909277 858629735 /nfs/dbraw/zinc/62/97/35/858629735.db2.gz LVCRMFRDNRHFHP-HUUCEWRRSA-N 2 2 315.417 1.457 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001122140932 858694778 /nfs/dbraw/zinc/69/47/78/858694778.db2.gz NQAJKQPUJDFMRZ-UHFFFAOYSA-N 2 2 314.433 1.393 20 30 DDEDLP CCN(CCn1cc[nH+]c1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157459776 863833876 /nfs/dbraw/zinc/83/38/76/863833876.db2.gz IFBYGQLWCLDVFN-UHFFFAOYSA-N 2 2 310.405 1.712 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332111446 865585232 /nfs/dbraw/zinc/58/52/32/865585232.db2.gz NALOBQZADILDAF-JFIYKMOQSA-N 2 2 314.433 1.971 20 30 DDEDLP N#CCN(Cc1ccccc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160670355 866010656 /nfs/dbraw/zinc/01/06/56/866010656.db2.gz XOWLSVHURZJISA-KRWDZBQOSA-N 2 2 308.385 1.811 20 30 DDEDLP Cc1c(C(=O)NC2(C#N)CC[NH+](C)CC2)cnn1-c1cc[nH+]cc1 ZINC001324541694 867342035 /nfs/dbraw/zinc/34/20/35/867342035.db2.gz IRNFZLFTHFLDFE-UHFFFAOYSA-N 2 2 324.388 1.294 20 30 DDEDLP Cc1[nH+]c2c(n1-c1nc(Cl)nc(C)c1C#N)CC[NH2+]CC2 ZINC001165353215 869542560 /nfs/dbraw/zinc/54/25/60/869542560.db2.gz MMXSPXRHOHXXDI-UHFFFAOYSA-N 2 2 302.769 1.492 20 30 DDEDLP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317171812 870411609 /nfs/dbraw/zinc/41/16/09/870411609.db2.gz BLTWFRXCCRDRLK-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001317171812 870411617 /nfs/dbraw/zinc/41/16/17/870411617.db2.gz BLTWFRXCCRDRLK-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317171812 870411623 /nfs/dbraw/zinc/41/16/23/870411623.db2.gz BLTWFRXCCRDRLK-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317171812 870411629 /nfs/dbraw/zinc/41/16/29/870411629.db2.gz BLTWFRXCCRDRLK-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316682529 871043225 /nfs/dbraw/zinc/04/32/25/871043225.db2.gz YVWJJMSBGNSFQY-RDJZCZTQSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316682529 871043242 /nfs/dbraw/zinc/04/32/42/871043242.db2.gz YVWJJMSBGNSFQY-RDJZCZTQSA-N 2 2 316.449 1.972 20 30 DDEDLP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553580 871060817 /nfs/dbraw/zinc/06/08/17/871060817.db2.gz NUIQCLOFTPJWIT-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553580 871060835 /nfs/dbraw/zinc/06/08/35/871060835.db2.gz NUIQCLOFTPJWIT-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802337 871527774 /nfs/dbraw/zinc/52/77/74/871527774.db2.gz IURBYGZYIQQHHW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317802337 871527793 /nfs/dbraw/zinc/52/77/93/871527793.db2.gz IURBYGZYIQQHHW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802337 871527800 /nfs/dbraw/zinc/52/78/00/871527800.db2.gz IURBYGZYIQQHHW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317802337 871527818 /nfs/dbraw/zinc/52/78/18/871527818.db2.gz IURBYGZYIQQHHW-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433286 871552407 /nfs/dbraw/zinc/55/24/07/871552407.db2.gz SGJAZPNNOUMQDJ-UHFFFAOYSA-N 2 2 310.829 1.923 20 30 DDEDLP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433286 871552421 /nfs/dbraw/zinc/55/24/21/871552421.db2.gz SGJAZPNNOUMQDJ-UHFFFAOYSA-N 2 2 310.829 1.923 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487351 871581368 /nfs/dbraw/zinc/58/13/68/871581368.db2.gz BVPBZZIDKZYZGJ-HUUCEWRRSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487351 871581379 /nfs/dbraw/zinc/58/13/79/871581379.db2.gz BVPBZZIDKZYZGJ-HUUCEWRRSA-N 2 2 300.406 1.365 20 30 DDEDLP CSc1nc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1C#N ZINC001205681232 871692924 /nfs/dbraw/zinc/69/29/24/871692924.db2.gz HMMRSVXSDJISOI-HNNXBMFYSA-N 2 2 306.435 1.351 20 30 DDEDLP CSc1nc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1C#N ZINC001205681232 871692930 /nfs/dbraw/zinc/69/29/30/871692930.db2.gz HMMRSVXSDJISOI-HNNXBMFYSA-N 2 2 306.435 1.351 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001319081079 872432092 /nfs/dbraw/zinc/43/20/92/872432092.db2.gz WFGBDGXUCZVZSB-CVEARBPZSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\CC)C[C@H]1C ZINC001207582706 873404492 /nfs/dbraw/zinc/40/44/92/873404492.db2.gz CESNBGFKCYZMIC-WDYWZEPKSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001207582706 873404498 /nfs/dbraw/zinc/40/44/98/873404498.db2.gz CESNBGFKCYZMIC-WDYWZEPKSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001207582706 873404504 /nfs/dbraw/zinc/40/45/04/873404504.db2.gz CESNBGFKCYZMIC-WDYWZEPKSA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@H]1C ZINC001207582706 873404507 /nfs/dbraw/zinc/40/45/07/873404507.db2.gz CESNBGFKCYZMIC-WDYWZEPKSA-N 2 2 317.477 1.877 20 30 DDEDLP C=CCCC[N@@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209162280 874700417 /nfs/dbraw/zinc/70/04/17/874700417.db2.gz WSQFEZCJUASIOU-INIZCTEOSA-N 2 2 317.481 1.973 20 30 DDEDLP C=CCCC[N@H+]1CCn2c(CN3CC[NH+](C)CC3)cnc2[C@@H]1C ZINC001209162280 874700423 /nfs/dbraw/zinc/70/04/23/874700423.db2.gz WSQFEZCJUASIOU-INIZCTEOSA-N 2 2 317.481 1.973 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977570 876118499 /nfs/dbraw/zinc/11/84/99/876118499.db2.gz NMZIBPGMXVMIKM-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977570 876118503 /nfs/dbraw/zinc/11/85/03/876118503.db2.gz NMZIBPGMXVMIKM-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353468236 877354006 /nfs/dbraw/zinc/35/40/06/877354006.db2.gz VRGVOQMRCQQCNW-GDBMZVCRSA-N 2 2 308.470 1.844 20 30 DDEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219457008 878243560 /nfs/dbraw/zinc/24/35/60/878243560.db2.gz VXKBVWMJBAWOHY-HIFRSBDPSA-N 2 2 323.343 1.352 20 30 DDEDLP N#Cc1cc(Cl)cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222104621 880255912 /nfs/dbraw/zinc/25/59/12/880255912.db2.gz JVGVSAKMGJEJOP-UHFFFAOYSA-N 2 2 304.825 1.739 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229932950 884237795 /nfs/dbraw/zinc/23/77/95/884237795.db2.gz DZPMCEUUDWJELN-HUUCEWRRSA-N 2 2 320.437 1.480 20 30 DDEDLP CC[N@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230575379 884608826 /nfs/dbraw/zinc/60/88/26/884608826.db2.gz NVAHAGRDXFHLNQ-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230575379 884608832 /nfs/dbraw/zinc/60/88/32/884608832.db2.gz NVAHAGRDXFHLNQ-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230575379 884608840 /nfs/dbraw/zinc/60/88/40/884608840.db2.gz NVAHAGRDXFHLNQ-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230575379 884608847 /nfs/dbraw/zinc/60/88/47/884608847.db2.gz NVAHAGRDXFHLNQ-INIZCTEOSA-N 2 2 320.481 1.943 20 30 DDEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001277863743 888068288 /nfs/dbraw/zinc/06/82/88/888068288.db2.gz RQIYTPZYYXUXBK-CQSZACIVSA-N 2 2 320.437 1.013 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCOC ZINC001235473995 888668272 /nfs/dbraw/zinc/66/82/72/888668272.db2.gz YXTXKPOXXMYOJJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCOC ZINC001235473995 888668289 /nfs/dbraw/zinc/66/82/89/888668289.db2.gz YXTXKPOXXMYOJJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCOC ZINC001235473995 888668308 /nfs/dbraw/zinc/66/83/08/888668308.db2.gz YXTXKPOXXMYOJJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCOC ZINC001235473995 888668325 /nfs/dbraw/zinc/66/83/25/888668325.db2.gz YXTXKPOXXMYOJJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278375004 891776807 /nfs/dbraw/zinc/77/68/07/891776807.db2.gz MVUVIMDZCMRNQS-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278375004 891776817 /nfs/dbraw/zinc/77/68/17/891776817.db2.gz MVUVIMDZCMRNQS-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278375004 891776829 /nfs/dbraw/zinc/77/68/29/891776829.db2.gz MVUVIMDZCMRNQS-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278375004 891776841 /nfs/dbraw/zinc/77/68/41/891776841.db2.gz MVUVIMDZCMRNQS-WMZOPIPTSA-N 2 2 323.481 1.644 20 30 DDEDLP N#C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCN1 ZINC001247001466 893072662 /nfs/dbraw/zinc/07/26/62/893072662.db2.gz ISEZCOKSYGZRFU-IRXDYDNUSA-N 2 2 310.445 1.768 20 30 DDEDLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H]([NH3+])C1 ZINC001256955979 897645144 /nfs/dbraw/zinc/64/51/44/897645144.db2.gz GHMCSKZJZMLLGA-CLRIEMFWSA-N 2 2 308.426 1.605 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001263928883 900822361 /nfs/dbraw/zinc/82/23/61/900822361.db2.gz JBIKPXJHPMIBNA-LSDHHAIUSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001263957502 900841946 /nfs/dbraw/zinc/84/19/46/900841946.db2.gz FFZOWLHCYOQKRU-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264080900 900920442 /nfs/dbraw/zinc/92/04/42/900920442.db2.gz ZAGWUWNCYMODID-CQSZACIVSA-N 2 2 320.437 1.159 20 30 DDEDLP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264080900 900920450 /nfs/dbraw/zinc/92/04/50/900920450.db2.gz ZAGWUWNCYMODID-CQSZACIVSA-N 2 2 320.437 1.159 20 30 DDEDLP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265121664 901591470 /nfs/dbraw/zinc/59/14/70/901591470.db2.gz YZDRRFIVHSQERN-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265121664 901591473 /nfs/dbraw/zinc/59/14/73/901591473.db2.gz YZDRRFIVHSQERN-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266146225 903022277 /nfs/dbraw/zinc/02/22/77/903022277.db2.gz KTWJXBPBTGISKV-XJKSGUPXSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001266146225 903022285 /nfs/dbraw/zinc/02/22/85/903022285.db2.gz KTWJXBPBTGISKV-XJKSGUPXSA-N 2 2 317.437 1.298 20 30 DDEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001281634692 905103564 /nfs/dbraw/zinc/10/35/64/905103564.db2.gz NPGZQORYJXXJLY-UHFFFAOYSA-N 2 2 320.437 1.207 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccsc1 ZINC001282403192 905752161 /nfs/dbraw/zinc/75/21/61/905752161.db2.gz TXSPLMUJQJWUFI-HOCLYGCPSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccsc1 ZINC001282403192 905752172 /nfs/dbraw/zinc/75/21/72/905752172.db2.gz TXSPLMUJQJWUFI-HOCLYGCPSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccsc1 ZINC001282403192 905752185 /nfs/dbraw/zinc/75/21/85/905752185.db2.gz TXSPLMUJQJWUFI-HOCLYGCPSA-N 2 2 319.474 1.782 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001282403192 905752198 /nfs/dbraw/zinc/75/21/98/905752198.db2.gz TXSPLMUJQJWUFI-HOCLYGCPSA-N 2 2 319.474 1.782 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001371857735 905867337 /nfs/dbraw/zinc/86/73/37/905867337.db2.gz BTHDFLQRYOPDCI-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393376298 906830781 /nfs/dbraw/zinc/83/07/81/906830781.db2.gz GKCJHNBOIBGYLZ-STQMWFEESA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393376298 906830783 /nfs/dbraw/zinc/83/07/83/906830783.db2.gz GKCJHNBOIBGYLZ-STQMWFEESA-N 2 2 310.829 1.921 20 30 DDEDLP CC#CC[NH2+][C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC001284155806 908562121 /nfs/dbraw/zinc/56/21/21/908562121.db2.gz WKPGWLYUGSGIEZ-KRWDZBQOSA-N 2 2 324.428 1.683 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001284774601 909476417 /nfs/dbraw/zinc/47/64/17/909476417.db2.gz XWLOBKRQHHHPFR-WLYUNCDWSA-N 2 2 300.406 1.048 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374034379 911695341 /nfs/dbraw/zinc/69/53/41/911695341.db2.gz BWTKLCZFYKISRE-AAEUAGOBSA-N 2 2 310.829 1.540 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001376361289 918321472 /nfs/dbraw/zinc/32/14/72/918321472.db2.gz KEXSANAYPRBEAQ-GXTWGEPZSA-N 2 2 324.856 1.789 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100028 529922967 /nfs/dbraw/zinc/92/29/67/529922967.db2.gz FYUFPZSGMDEDRL-SFHVURJKSA-N 2 2 317.433 1.485 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100028 529922969 /nfs/dbraw/zinc/92/29/69/529922969.db2.gz FYUFPZSGMDEDRL-SFHVURJKSA-N 2 2 317.433 1.485 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000339100028 529922970 /nfs/dbraw/zinc/92/29/70/529922970.db2.gz FYUFPZSGMDEDRL-SFHVURJKSA-N 2 2 317.433 1.485 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000339100028 529922972 /nfs/dbraw/zinc/92/29/72/529922972.db2.gz FYUFPZSGMDEDRL-SFHVURJKSA-N 2 2 317.433 1.485 20 30 DDEDLP C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638679 365972220 /nfs/dbraw/zinc/97/22/20/365972220.db2.gz OHPDTZLJWAJGEU-JKSUJKDBSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638679 365972222 /nfs/dbraw/zinc/97/22/22/365972222.db2.gz OHPDTZLJWAJGEU-JKSUJKDBSA-N 2 2 320.481 1.763 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959202 353639024 /nfs/dbraw/zinc/63/90/24/353639024.db2.gz RWRIGRXFEVNKIN-AWEZNQCLSA-N 2 2 314.393 1.245 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959202 353639029 /nfs/dbraw/zinc/63/90/29/353639029.db2.gz RWRIGRXFEVNKIN-AWEZNQCLSA-N 2 2 314.393 1.245 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594435177 356212846 /nfs/dbraw/zinc/21/28/46/356212846.db2.gz BTNOECBWOUCVSJ-IAGOWNOFSA-N 2 2 314.433 1.913 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594435177 356212850 /nfs/dbraw/zinc/21/28/50/356212850.db2.gz BTNOECBWOUCVSJ-IAGOWNOFSA-N 2 2 314.433 1.913 20 30 DDEDLP C[C@H]1C[C@H](C)C[NH+](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000595334202 356452773 /nfs/dbraw/zinc/45/27/73/356452773.db2.gz QLWXFUNYTRHKFF-ROUUACIJSA-N 2 2 322.497 1.512 20 30 DDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507132 356524328 /nfs/dbraw/zinc/52/43/28/356524328.db2.gz KFSVERDNJQELTH-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507132 356524330 /nfs/dbraw/zinc/52/43/30/356524330.db2.gz KFSVERDNJQELTH-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507132 356524332 /nfs/dbraw/zinc/52/43/32/356524332.db2.gz KFSVERDNJQELTH-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507132 356524335 /nfs/dbraw/zinc/52/43/35/356524335.db2.gz KFSVERDNJQELTH-KRWDZBQOSA-N 2 2 317.437 1.060 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633712 356586272 /nfs/dbraw/zinc/58/62/72/356586272.db2.gz WZJFHLMEWIVBHG-INIZCTEOSA-N 2 2 305.422 1.322 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633712 356586279 /nfs/dbraw/zinc/58/62/79/356586279.db2.gz WZJFHLMEWIVBHG-INIZCTEOSA-N 2 2 305.422 1.322 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329733021 223019992 /nfs/dbraw/zinc/01/99/92/223019992.db2.gz QOHPQAUWPXEIOI-LBPRGKRZSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329733021 223019997 /nfs/dbraw/zinc/01/99/97/223019997.db2.gz QOHPQAUWPXEIOI-LBPRGKRZSA-N 2 2 314.393 1.784 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000602508068 359019484 /nfs/dbraw/zinc/01/94/84/359019484.db2.gz LDIGXKLVMONGLK-MAUKXSAKSA-N 2 2 301.434 1.935 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000602508068 359019488 /nfs/dbraw/zinc/01/94/88/359019488.db2.gz LDIGXKLVMONGLK-MAUKXSAKSA-N 2 2 301.434 1.935 20 30 DDEDLP N#Cc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000602669435 359115569 /nfs/dbraw/zinc/11/55/69/359115569.db2.gz IXGBNRWWNLYFBE-UHFFFAOYSA-N 2 2 315.421 1.035 20 30 DDEDLP C[C@@H](CC#N)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000602860685 359245991 /nfs/dbraw/zinc/24/59/91/359245991.db2.gz DLBQUWRPYMPWIZ-HNNXBMFYSA-N 2 2 322.453 1.029 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908939 359287663 /nfs/dbraw/zinc/28/76/63/359287663.db2.gz XJROHSAGOLSHAJ-INIZCTEOSA-N 2 2 302.422 1.445 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908939 359287666 /nfs/dbraw/zinc/28/76/66/359287666.db2.gz XJROHSAGOLSHAJ-INIZCTEOSA-N 2 2 302.422 1.445 20 30 DDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000093159802 407195800 /nfs/dbraw/zinc/19/58/00/407195800.db2.gz WSOMDOILEVDXSA-GOSISDBHSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000093159802 407195803 /nfs/dbraw/zinc/19/58/03/407195803.db2.gz WSOMDOILEVDXSA-GOSISDBHSA-N 2 2 311.429 1.383 20 30 DDEDLP C=C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000128196106 407506746 /nfs/dbraw/zinc/50/67/46/407506746.db2.gz RYXDJLZHJYXTFQ-OAHLLOKOSA-N 2 2 308.470 1.810 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCN(C)CC1 ZINC000170910333 407550475 /nfs/dbraw/zinc/55/04/75/407550475.db2.gz QLOQBMOXBQAZNW-CQSZACIVSA-N 2 2 304.442 1.080 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109368 407591899 /nfs/dbraw/zinc/59/18/99/407591899.db2.gz KRIRZLSJKAGDTH-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109368 407591907 /nfs/dbraw/zinc/59/19/07/407591907.db2.gz KRIRZLSJKAGDTH-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109368 407591912 /nfs/dbraw/zinc/59/19/12/407591912.db2.gz KRIRZLSJKAGDTH-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129109368 407591917 /nfs/dbraw/zinc/59/19/17/407591917.db2.gz KRIRZLSJKAGDTH-WBVHZDCISA-N 2 2 312.417 1.913 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000271404365 407671486 /nfs/dbraw/zinc/67/14/86/407671486.db2.gz OKWNEFIVFKTVAA-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266944764 407686720 /nfs/dbraw/zinc/68/67/20/407686720.db2.gz SHCFCDUQVSHWAG-MRXNPFEDSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266944764 407686725 /nfs/dbraw/zinc/68/67/25/407686725.db2.gz SHCFCDUQVSHWAG-MRXNPFEDSA-N 2 2 323.400 1.777 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272184587 407807452 /nfs/dbraw/zinc/80/74/52/407807452.db2.gz AKVAUTSHOWJPGF-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159976357 408448289 /nfs/dbraw/zinc/44/82/89/408448289.db2.gz VNXBCPWDRLRXGF-SOUVJXGZSA-N 2 2 305.426 1.520 20 30 DDEDLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354087286 409640250 /nfs/dbraw/zinc/64/02/50/409640250.db2.gz YZFDGLYVYMVZMK-MRXNPFEDSA-N 2 2 324.469 1.228 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227159 409735422 /nfs/dbraw/zinc/73/54/22/409735422.db2.gz ZLEGWPXUIXSGKS-JKSUJKDBSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227159 409735427 /nfs/dbraw/zinc/73/54/27/409735427.db2.gz ZLEGWPXUIXSGKS-JKSUJKDBSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227159 409735435 /nfs/dbraw/zinc/73/54/35/409735435.db2.gz ZLEGWPXUIXSGKS-JKSUJKDBSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227159 409735440 /nfs/dbraw/zinc/73/54/40/409735440.db2.gz ZLEGWPXUIXSGKS-JKSUJKDBSA-N 2 2 319.453 1.447 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328611586 409933578 /nfs/dbraw/zinc/93/35/78/409933578.db2.gz OQQYRLCLKFCTQC-QLFBSQMISA-N 2 2 317.437 1.843 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328611586 409933585 /nfs/dbraw/zinc/93/35/85/409933585.db2.gz OQQYRLCLKFCTQC-QLFBSQMISA-N 2 2 317.437 1.843 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329267637 410202549 /nfs/dbraw/zinc/20/25/49/410202549.db2.gz GCDIXHHZSQLEBL-KBMXLJTQSA-N 2 2 319.453 1.768 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329267637 410202555 /nfs/dbraw/zinc/20/25/55/410202555.db2.gz GCDIXHHZSQLEBL-KBMXLJTQSA-N 2 2 319.453 1.768 20 30 DDEDLP C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299276039 410585139 /nfs/dbraw/zinc/58/51/39/410585139.db2.gz MQQPRLBKKZVSPZ-IEBWSBKVSA-N 2 2 323.440 1.334 20 30 DDEDLP C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299276039 410585145 /nfs/dbraw/zinc/58/51/45/410585145.db2.gz MQQPRLBKKZVSPZ-IEBWSBKVSA-N 2 2 323.440 1.334 20 30 DDEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000580208692 422903139 /nfs/dbraw/zinc/90/31/39/422903139.db2.gz JYEFWFGKVALXSG-UHFFFAOYSA-N 2 2 310.405 1.442 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638523730 422961231 /nfs/dbraw/zinc/96/12/31/422961231.db2.gz DYYGRPROCJRADQ-UHFFFAOYSA-N 2 2 315.464 1.136 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961824 222232344 /nfs/dbraw/zinc/23/23/44/222232344.db2.gz GHSOPOHTTZNONG-PMPSAXMXSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961824 222232346 /nfs/dbraw/zinc/23/23/46/222232346.db2.gz GHSOPOHTTZNONG-PMPSAXMXSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247961824 222232347 /nfs/dbraw/zinc/23/23/47/222232347.db2.gz GHSOPOHTTZNONG-PMPSAXMXSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247961824 222232348 /nfs/dbraw/zinc/23/23/48/222232348.db2.gz GHSOPOHTTZNONG-PMPSAXMXSA-N 2 2 306.454 1.411 20 30 DDEDLP Cn1c[nH+]cc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262324541 222276032 /nfs/dbraw/zinc/27/60/32/222276032.db2.gz SSQCSKMNBFYAOY-UHFFFAOYSA-N 2 2 301.350 1.508 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000266899958 222365665 /nfs/dbraw/zinc/36/56/65/222365665.db2.gz GDAWQAGGVGFNAY-UHFFFAOYSA-N 2 2 311.389 1.645 20 30 DDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C[NH+]1CCOCC1 ZINC000376181490 418693240 /nfs/dbraw/zinc/69/32/40/418693240.db2.gz MNEKHIFHRGJHSQ-ILOCAZANSA-N 2 2 321.465 1.784 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000368137184 418695298 /nfs/dbraw/zinc/69/52/98/418695298.db2.gz YAPADCRAKOHZKT-AWEZNQCLSA-N 2 2 306.373 1.929 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000368137184 418695300 /nfs/dbraw/zinc/69/53/00/418695300.db2.gz YAPADCRAKOHZKT-AWEZNQCLSA-N 2 2 306.373 1.929 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000371156379 418765961 /nfs/dbraw/zinc/76/59/61/418765961.db2.gz KNKISTBSATZAIU-UHFFFAOYSA-N 2 2 313.449 1.950 20 30 DDEDLP Cc1ccc(N2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)[nH+]c1 ZINC000424158802 228237633 /nfs/dbraw/zinc/23/76/33/228237633.db2.gz UFZRKMVHVSXJSG-OAHLLOKOSA-N 2 2 315.421 1.496 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+]3CCO)n2c1 ZINC000449397537 421007888 /nfs/dbraw/zinc/00/78/88/421007888.db2.gz VNKDFBPTUGTNQM-OAHLLOKOSA-N 2 2 313.405 1.142 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+]3CCO)n2c1 ZINC000449397537 421007892 /nfs/dbraw/zinc/00/78/92/421007892.db2.gz VNKDFBPTUGTNQM-OAHLLOKOSA-N 2 2 313.405 1.142 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000530334790 421594465 /nfs/dbraw/zinc/59/44/65/421594465.db2.gz WQLDPYPYUCUWPO-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000530334790 421594467 /nfs/dbraw/zinc/59/44/67/421594467.db2.gz WQLDPYPYUCUWPO-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000530334790 421594472 /nfs/dbraw/zinc/59/44/72/421594472.db2.gz WQLDPYPYUCUWPO-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000530334790 421594474 /nfs/dbraw/zinc/59/44/74/421594474.db2.gz WQLDPYPYUCUWPO-GJZGRUSLSA-N 2 2 306.454 1.744 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566123376 421602702 /nfs/dbraw/zinc/60/27/02/421602702.db2.gz IRNNWGXSCVGPKR-ALYAQQCSSA-N 2 2 312.454 1.027 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566123376 421602705 /nfs/dbraw/zinc/60/27/05/421602705.db2.gz IRNNWGXSCVGPKR-ALYAQQCSSA-N 2 2 312.454 1.027 20 30 DDEDLP COCC[NH2+]C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000575063833 422249336 /nfs/dbraw/zinc/24/93/36/422249336.db2.gz HHGYPGWVSGVEEP-UHFFFAOYSA-N 2 2 303.406 1.767 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000576629434 422376378 /nfs/dbraw/zinc/37/63/78/422376378.db2.gz CXLLURHTKTXFFD-DJIMGWMZSA-N 2 2 304.438 1.787 20 30 DDEDLP C[NH+](C)C1(CNC[C@H](O)C[N@H+](C)CCC#N)CCCCCC1 ZINC000576958618 422378798 /nfs/dbraw/zinc/37/87/98/422378798.db2.gz HPWICDMIOHGVRE-INIZCTEOSA-N 2 2 310.486 1.437 20 30 DDEDLP C[NH+](C)C1(CNC[C@H](O)C[N@@H+](C)CCC#N)CCCCCC1 ZINC000576958618 422378805 /nfs/dbraw/zinc/37/88/05/422378805.db2.gz HPWICDMIOHGVRE-INIZCTEOSA-N 2 2 310.486 1.437 20 30 DDEDLP CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344067069 266283563 /nfs/dbraw/zinc/28/35/63/266283563.db2.gz FOSMPQHOAGFBRA-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000530232640 268305094 /nfs/dbraw/zinc/30/50/94/268305094.db2.gz AUBPVCZCXFFRCI-UONOGXRCSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000530232640 268305095 /nfs/dbraw/zinc/30/50/95/268305095.db2.gz AUBPVCZCXFFRCI-UONOGXRCSA-N 2 2 312.373 1.168 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422974536 275417789 /nfs/dbraw/zinc/41/77/89/275417789.db2.gz FDGHNKNHQCMIAN-KURKYZTESA-N 3 2 307.482 1.774 20 30 DDEDLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000120802797 276311826 /nfs/dbraw/zinc/31/18/26/276311826.db2.gz GIYZVQPKFQFRIS-OAHLLOKOSA-N 2 2 314.433 1.715 20 30 DDEDLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000120802797 276311827 /nfs/dbraw/zinc/31/18/27/276311827.db2.gz GIYZVQPKFQFRIS-OAHLLOKOSA-N 2 2 314.433 1.715 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371418433 307148872 /nfs/dbraw/zinc/14/88/72/307148872.db2.gz CNWOJLQSCYCMBY-CQSZACIVSA-N 2 2 304.463 1.832 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371418433 307148873 /nfs/dbraw/zinc/14/88/73/307148873.db2.gz CNWOJLQSCYCMBY-CQSZACIVSA-N 2 2 304.463 1.832 20 30 DDEDLP C[NH+](C)[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)C1CCCCC1 ZINC000562986426 333012857 /nfs/dbraw/zinc/01/28/57/333012857.db2.gz YEYNKSDHYLSDQJ-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[NH+](C)[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)C1CCCCC1 ZINC000562986426 333012858 /nfs/dbraw/zinc/01/28/58/333012858.db2.gz YEYNKSDHYLSDQJ-IRXDYDNUSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000526056624 333090560 /nfs/dbraw/zinc/09/05/60/333090560.db2.gz XTENSLFBMAYBTF-RBSFLKMASA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000526056624 333090561 /nfs/dbraw/zinc/09/05/61/333090561.db2.gz XTENSLFBMAYBTF-RBSFLKMASA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000526056624 333090562 /nfs/dbraw/zinc/09/05/62/333090562.db2.gz XTENSLFBMAYBTF-RBSFLKMASA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000526056624 333090563 /nfs/dbraw/zinc/09/05/63/333090563.db2.gz XTENSLFBMAYBTF-RBSFLKMASA-N 2 2 304.438 1.353 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009108 341243111 /nfs/dbraw/zinc/24/31/11/341243111.db2.gz QMAGUXKXWZFVLI-KGLIPLIRSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009108 341243112 /nfs/dbraw/zinc/24/31/12/341243112.db2.gz QMAGUXKXWZFVLI-KGLIPLIRSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491803706 526812717 /nfs/dbraw/zinc/81/27/17/526812717.db2.gz JQWITVKBYPBHDZ-MRXNPFEDSA-N 2 2 316.405 1.199 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491803706 526812725 /nfs/dbraw/zinc/81/27/25/526812725.db2.gz JQWITVKBYPBHDZ-MRXNPFEDSA-N 2 2 316.405 1.199 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000490937371 526950546 /nfs/dbraw/zinc/95/05/46/526950546.db2.gz UHQMVWPZDIJUSS-UHFFFAOYSA-N 2 2 305.447 1.350 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000491418242 526982755 /nfs/dbraw/zinc/98/27/55/526982755.db2.gz QAZFHUDUYJRZSH-LJQANCHMSA-N 2 2 313.445 1.770 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000491418242 526982760 /nfs/dbraw/zinc/98/27/60/526982760.db2.gz QAZFHUDUYJRZSH-LJQANCHMSA-N 2 2 313.445 1.770 20 30 DDEDLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330963368 528020871 /nfs/dbraw/zinc/02/08/71/528020871.db2.gz CQHQXMVNRRNNCQ-GFCCVEGCSA-N 2 2 307.398 1.419 20 30 DDEDLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330963368 528020872 /nfs/dbraw/zinc/02/08/72/528020872.db2.gz CQHQXMVNRRNNCQ-GFCCVEGCSA-N 2 2 307.398 1.419 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638174 695700912 /nfs/dbraw/zinc/70/09/12/695700912.db2.gz DNPIXVBOYGARBF-CQSZACIVSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000974638174 695700914 /nfs/dbraw/zinc/70/09/14/695700914.db2.gz DNPIXVBOYGARBF-CQSZACIVSA-N 2 2 319.474 1.883 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974829947 695744978 /nfs/dbraw/zinc/74/49/78/695744978.db2.gz XBHVISOVMLMJGZ-INIZCTEOSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000974829947 695744980 /nfs/dbraw/zinc/74/49/80/695744980.db2.gz XBHVISOVMLMJGZ-INIZCTEOSA-N 2 2 314.433 1.222 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)c1cccc(F)c1 ZINC000104155362 696618629 /nfs/dbraw/zinc/61/86/29/696618629.db2.gz ULJHVCCKVGIQIA-AWEZNQCLSA-N 2 2 310.442 1.792 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910412 696965399 /nfs/dbraw/zinc/96/53/99/696965399.db2.gz ZXNRDFYOAUXWMU-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981910412 696965401 /nfs/dbraw/zinc/96/54/01/696965401.db2.gz ZXNRDFYOAUXWMU-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103262 697005125 /nfs/dbraw/zinc/00/51/25/697005125.db2.gz UFQZHNMBKJOFDI-CABCVRRESA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981211067 697035411 /nfs/dbraw/zinc/03/54/11/697035411.db2.gz ZYCHRDKEDIFYSW-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981211067 697035412 /nfs/dbraw/zinc/03/54/12/697035412.db2.gz ZYCHRDKEDIFYSW-UHFFFAOYSA-N 2 2 316.449 1.872 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472889 697105697 /nfs/dbraw/zinc/10/56/97/697105697.db2.gz SSAFVWPQTFPTTB-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472889 697105699 /nfs/dbraw/zinc/10/56/99/697105699.db2.gz SSAFVWPQTFPTTB-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477302 697106500 /nfs/dbraw/zinc/10/65/00/697106500.db2.gz UCGMOHWHWGDFBG-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981477302 697106501 /nfs/dbraw/zinc/10/65/01/697106501.db2.gz UCGMOHWHWGDFBG-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982850449 697185153 /nfs/dbraw/zinc/18/51/53/697185153.db2.gz IOQASKUZRXNQMY-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982850449 697185154 /nfs/dbraw/zinc/18/51/54/697185154.db2.gz IOQASKUZRXNQMY-CALCHBBNSA-N 2 2 300.406 1.077 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000986298077 697771108 /nfs/dbraw/zinc/77/11/08/697771108.db2.gz XIPUOIGGBYOBSP-ZBFHGGJFSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000987340140 698089560 /nfs/dbraw/zinc/08/95/60/698089560.db2.gz DFQXMVOBQFMGGN-UKRRQHHQSA-N 2 2 311.389 1.646 20 30 DDEDLP CCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000303878238 698608536 /nfs/dbraw/zinc/60/85/36/698608536.db2.gz FWGIWKLKICWUHP-INIZCTEOSA-N 2 2 317.481 1.902 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989638327 698703514 /nfs/dbraw/zinc/70/35/14/698703514.db2.gz IZMZXRPMPRQCAW-KBPBESRZSA-N 2 2 309.373 1.093 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991469207 699331774 /nfs/dbraw/zinc/33/17/74/699331774.db2.gz DNIZSAJQQPBUGD-IIDMSEBBSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC000991469207 699331775 /nfs/dbraw/zinc/33/17/75/699331775.db2.gz DNIZSAJQQPBUGD-IIDMSEBBSA-N 2 2 314.433 1.745 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000730106201 699501763 /nfs/dbraw/zinc/50/17/63/699501763.db2.gz WDCABGQTIASPCE-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000730106201 699501764 /nfs/dbraw/zinc/50/17/64/699501764.db2.gz WDCABGQTIASPCE-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000730106201 699501765 /nfs/dbraw/zinc/50/17/65/699501765.db2.gz WDCABGQTIASPCE-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000730106201 699501766 /nfs/dbraw/zinc/50/17/66/699501766.db2.gz WDCABGQTIASPCE-CVEARBPZSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000730284193 699506739 /nfs/dbraw/zinc/50/67/39/699506739.db2.gz LNXTVMNPDRJALA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000730284193 699506740 /nfs/dbraw/zinc/50/67/40/699506740.db2.gz LNXTVMNPDRJALA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC ZINC000730284193 699506741 /nfs/dbraw/zinc/50/67/41/699506741.db2.gz LNXTVMNPDRJALA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC ZINC000730284193 699506742 /nfs/dbraw/zinc/50/67/42/699506742.db2.gz LNXTVMNPDRJALA-IRXDYDNUSA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000759947016 700784119 /nfs/dbraw/zinc/78/41/19/700784119.db2.gz KXDFIYFRZZTZKY-BZSNNMDCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000759947016 700784121 /nfs/dbraw/zinc/78/41/21/700784121.db2.gz KXDFIYFRZZTZKY-BZSNNMDCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000759947016 700784123 /nfs/dbraw/zinc/78/41/23/700784123.db2.gz KXDFIYFRZZTZKY-BZSNNMDCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000759947016 700784125 /nfs/dbraw/zinc/78/41/25/700784125.db2.gz KXDFIYFRZZTZKY-BZSNNMDCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000759947027 700784228 /nfs/dbraw/zinc/78/42/28/700784228.db2.gz KXDFIYFRZZTZKY-OKZBNKHCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000759947027 700784229 /nfs/dbraw/zinc/78/42/29/700784229.db2.gz KXDFIYFRZZTZKY-OKZBNKHCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000759947027 700784230 /nfs/dbraw/zinc/78/42/30/700784230.db2.gz KXDFIYFRZZTZKY-OKZBNKHCSA-N 2 2 311.429 1.646 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000759947027 700784231 /nfs/dbraw/zinc/78/42/31/700784231.db2.gz KXDFIYFRZZTZKY-OKZBNKHCSA-N 2 2 311.429 1.646 20 30 DDEDLP C=C(C)CONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000845595719 703179689 /nfs/dbraw/zinc/17/96/89/703179689.db2.gz WGNJICQQCFMQNO-UHFFFAOYSA-N 2 2 310.442 1.352 20 30 DDEDLP C#C[C@@H](C)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820394717 704271761 /nfs/dbraw/zinc/27/17/61/704271761.db2.gz NUWNBMUBWJRBBX-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP C#C[C@@H](C)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820394717 704271764 /nfs/dbraw/zinc/27/17/64/704271764.db2.gz NUWNBMUBWJRBBX-OAHLLOKOSA-N 2 2 306.454 1.210 20 30 DDEDLP COCC[N@@H+](Cc1nc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877664452 706173996 /nfs/dbraw/zinc/17/39/96/706173996.db2.gz PDXXYXVITBKOIV-UHFFFAOYSA-N 2 2 308.451 1.805 20 30 DDEDLP COCC[N@H+](Cc1nc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877664452 706173997 /nfs/dbraw/zinc/17/39/97/706173997.db2.gz PDXXYXVITBKOIV-UHFFFAOYSA-N 2 2 308.451 1.805 20 30 DDEDLP Cc1[nH]c(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)[nH+]c1C ZINC000886660689 708808639 /nfs/dbraw/zinc/80/86/39/708808639.db2.gz CWDIOTSSHGGIOA-UHFFFAOYSA-N 2 2 315.421 1.768 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896208601 711691582 /nfs/dbraw/zinc/69/15/82/711691582.db2.gz JUBPTIRKSFXHOX-INIZCTEOSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896208601 711691584 /nfs/dbraw/zinc/69/15/84/711691584.db2.gz JUBPTIRKSFXHOX-INIZCTEOSA-N 2 2 317.437 1.557 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C#N)C3)C2)CC1 ZINC000918905852 713573272 /nfs/dbraw/zinc/57/32/72/713573272.db2.gz IFWJZVNMGWGUMM-LSDHHAIUSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C#N)C3)C2)CC1 ZINC000918905852 713573274 /nfs/dbraw/zinc/57/32/74/713573274.db2.gz IFWJZVNMGWGUMM-LSDHHAIUSA-N 2 2 319.453 1.100 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000923399906 714342454 /nfs/dbraw/zinc/34/24/54/714342454.db2.gz UPDBOXYKURYEPU-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000923399906 714342457 /nfs/dbraw/zinc/34/24/57/714342457.db2.gz UPDBOXYKURYEPU-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000923580104 714414766 /nfs/dbraw/zinc/41/47/66/714414766.db2.gz YFVZQKXUBIZZMW-QZTJIDSGSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000923580104 714414769 /nfs/dbraw/zinc/41/47/69/714414769.db2.gz YFVZQKXUBIZZMW-QZTJIDSGSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580104 714414770 /nfs/dbraw/zinc/41/47/70/714414770.db2.gz YFVZQKXUBIZZMW-QZTJIDSGSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580104 714414772 /nfs/dbraw/zinc/41/47/72/714414772.db2.gz YFVZQKXUBIZZMW-QZTJIDSGSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000964089194 717997548 /nfs/dbraw/zinc/99/75/48/717997548.db2.gz IIJZZOCLEQPZHU-OQDWRCPYSA-N 2 2 312.417 1.096 20 30 DDEDLP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924995651 714720485 /nfs/dbraw/zinc/72/04/85/714720485.db2.gz ZVJTUKVQGKPXSN-WMLDXEAASA-N 2 2 316.449 1.940 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957612269 715969140 /nfs/dbraw/zinc/96/91/40/715969140.db2.gz MIWHKAXEEOJOPD-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166304 717119942 /nfs/dbraw/zinc/11/99/42/717119942.db2.gz FNXKVKVXOXWTIR-HNNXBMFYSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166304 717119943 /nfs/dbraw/zinc/11/99/43/717119943.db2.gz FNXKVKVXOXWTIR-HNNXBMFYSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373420 717764949 /nfs/dbraw/zinc/76/49/49/717764949.db2.gz HEDAGIAHTIWRNN-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373420 717764951 /nfs/dbraw/zinc/76/49/51/717764951.db2.gz HEDAGIAHTIWRNN-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402547 718871866 /nfs/dbraw/zinc/87/18/66/718871866.db2.gz SPIXYNHMJBAVFO-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967402547 718871868 /nfs/dbraw/zinc/87/18/68/718871868.db2.gz SPIXYNHMJBAVFO-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946816097 718917457 /nfs/dbraw/zinc/91/74/57/718917457.db2.gz ZQVKOIKNBMCHRU-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946816097 718917461 /nfs/dbraw/zinc/91/74/61/718917461.db2.gz ZQVKOIKNBMCHRU-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946816097 718917463 /nfs/dbraw/zinc/91/74/63/718917463.db2.gz ZQVKOIKNBMCHRU-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946816097 718917464 /nfs/dbraw/zinc/91/74/64/718917464.db2.gz ZQVKOIKNBMCHRU-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947919915 719307541 /nfs/dbraw/zinc/30/75/41/719307541.db2.gz AQJODNALASNMAU-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948899200 719773663 /nfs/dbraw/zinc/77/36/63/719773663.db2.gz RBNUUVOJKVAFRE-ROUUACIJSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948899200 719773667 /nfs/dbraw/zinc/77/36/67/719773667.db2.gz RBNUUVOJKVAFRE-ROUUACIJSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899200 719773672 /nfs/dbraw/zinc/77/36/72/719773672.db2.gz RBNUUVOJKVAFRE-ROUUACIJSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899200 719773675 /nfs/dbraw/zinc/77/36/75/719773675.db2.gz RBNUUVOJKVAFRE-ROUUACIJSA-N 2 2 311.429 1.429 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027581936 738432016 /nfs/dbraw/zinc/43/20/16/738432016.db2.gz IAANEILDRNSFJH-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027581936 738432017 /nfs/dbraw/zinc/43/20/17/738432017.db2.gz IAANEILDRNSFJH-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956600 732609560 /nfs/dbraw/zinc/60/95/60/732609560.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956600 732609562 /nfs/dbraw/zinc/60/95/62/732609562.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956600 732609564 /nfs/dbraw/zinc/60/95/64/732609564.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956600 732609565 /nfs/dbraw/zinc/60/95/65/732609565.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 2 302.422 1.601 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001021126310 732955217 /nfs/dbraw/zinc/95/52/17/732955217.db2.gz JITGGWBGUDEXGW-WKILWMFISA-N 2 2 309.373 1.192 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753884 733514367 /nfs/dbraw/zinc/51/43/67/733514367.db2.gz JDAPGFQHNPABFC-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753884 733514369 /nfs/dbraw/zinc/51/43/69/733514369.db2.gz JDAPGFQHNPABFC-HZPDHXFCSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023429112 735227786 /nfs/dbraw/zinc/22/77/86/735227786.db2.gz DNLHZYBYISOIMR-RRFJBIMHSA-N 2 2 300.406 1.365 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023429112 735227791 /nfs/dbraw/zinc/22/77/91/735227791.db2.gz DNLHZYBYISOIMR-RRFJBIMHSA-N 2 2 300.406 1.365 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447650 735236185 /nfs/dbraw/zinc/23/61/85/735236185.db2.gz SKNVFEANLZJIFP-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447650 735236189 /nfs/dbraw/zinc/23/61/89/735236189.db2.gz SKNVFEANLZJIFP-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023446982 735239827 /nfs/dbraw/zinc/23/98/27/735239827.db2.gz CLUYWKNGEYMBSZ-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023446982 735239831 /nfs/dbraw/zinc/23/98/31/735239831.db2.gz CLUYWKNGEYMBSZ-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024511232 735886433 /nfs/dbraw/zinc/88/64/33/735886433.db2.gz CZGBDXBQUUZABK-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001024511232 735886435 /nfs/dbraw/zinc/88/64/35/735886435.db2.gz CZGBDXBQUUZABK-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024519958 735889100 /nfs/dbraw/zinc/88/91/00/735889100.db2.gz AFEKTEAHWOIBBY-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024519958 735889105 /nfs/dbraw/zinc/88/91/05/735889105.db2.gz AFEKTEAHWOIBBY-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024514749 735890176 /nfs/dbraw/zinc/89/01/76/735890176.db2.gz DTFNDQVUBPFYET-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024514749 735890180 /nfs/dbraw/zinc/89/01/80/735890180.db2.gz DTFNDQVUBPFYET-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516081 735892661 /nfs/dbraw/zinc/89/26/61/735892661.db2.gz GHYRPVQHHKYKIM-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516081 735892668 /nfs/dbraw/zinc/89/26/68/735892668.db2.gz GHYRPVQHHKYKIM-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516342 735893567 /nfs/dbraw/zinc/89/35/67/735893567.db2.gz IKIBLJOCNBPNBX-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516342 735893572 /nfs/dbraw/zinc/89/35/72/735893572.db2.gz IKIBLJOCNBPNBX-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980057 738903224 /nfs/dbraw/zinc/90/32/24/738903224.db2.gz LBFVBGBPFBZVGL-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980057 738903226 /nfs/dbraw/zinc/90/32/26/738903226.db2.gz LBFVBGBPFBZVGL-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025291974 736410715 /nfs/dbraw/zinc/41/07/15/736410715.db2.gz DGJGHXIWEDYZJW-IAGOWNOFSA-N 2 2 314.433 1.739 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025291974 736410718 /nfs/dbraw/zinc/41/07/18/736410718.db2.gz DGJGHXIWEDYZJW-IAGOWNOFSA-N 2 2 314.433 1.739 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026252874 737251929 /nfs/dbraw/zinc/25/19/29/737251929.db2.gz VJZLZXGEOLTBBE-RBSFLKMASA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 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C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899758 751539440 /nfs/dbraw/zinc/53/94/40/751539440.db2.gz ZBMWNRYLSFNLKD-AIANPOQGSA-N 2 2 302.422 1.847 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899758 751539444 /nfs/dbraw/zinc/53/94/44/751539444.db2.gz ZBMWNRYLSFNLKD-AIANPOQGSA-N 2 2 302.422 1.847 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038432780 740434006 /nfs/dbraw/zinc/43/40/06/740434006.db2.gz YGBPHCZRPOELJO-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038432780 740434007 /nfs/dbraw/zinc/43/40/07/740434007.db2.gz YGBPHCZRPOELJO-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038432780 740434010 /nfs/dbraw/zinc/43/40/10/740434010.db2.gz YGBPHCZRPOELJO-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038432780 740434013 /nfs/dbraw/zinc/43/40/13/740434013.db2.gz YGBPHCZRPOELJO-KGLIPLIRSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087635001 740685207 /nfs/dbraw/zinc/68/52/07/740685207.db2.gz FTBXJMCPKOVSPP-DZGCQCFKSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1CC ZINC001087635001 740685210 /nfs/dbraw/zinc/68/52/10/740685210.db2.gz FTBXJMCPKOVSPP-DZGCQCFKSA-N 2 2 306.410 1.505 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000490 740939067 /nfs/dbraw/zinc/93/90/67/740939067.db2.gz JYXMBOBWPYFPIC-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088000490 740939068 /nfs/dbraw/zinc/93/90/68/740939068.db2.gz JYXMBOBWPYFPIC-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337457 741410218 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1.755 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000992870771 745260942 /nfs/dbraw/zinc/26/09/42/745260942.db2.gz IPPMDUCCMIUISI-BHYGNILZSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239589 746312244 /nfs/dbraw/zinc/31/22/44/746312244.db2.gz JFDXFZFXDYFTSX-HUUCEWRRSA-N 2 2 302.422 1.866 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001007375786 752116130 /nfs/dbraw/zinc/11/61/30/752116130.db2.gz UGSRMLDELSBQMI-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001007375786 752116135 /nfs/dbraw/zinc/11/61/35/752116135.db2.gz UGSRMLDELSBQMI-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375786 752116141 /nfs/dbraw/zinc/11/61/41/752116141.db2.gz UGSRMLDELSBQMI-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375786 752116145 /nfs/dbraw/zinc/11/61/45/752116145.db2.gz UGSRMLDELSBQMI-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001031742878 747637024 /nfs/dbraw/zinc/63/70/24/747637024.db2.gz UPLGHDVGUMXGQS-INIZCTEOSA-N 2 2 317.458 1.394 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001031742878 747637033 /nfs/dbraw/zinc/63/70/33/747637033.db2.gz UPLGHDVGUMXGQS-INIZCTEOSA-N 2 2 317.458 1.394 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004371138 748374254 /nfs/dbraw/zinc/37/42/54/748374254.db2.gz JKXNZKGIJBDSQZ-HOTGVXAUSA-N 2 2 304.438 1.307 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001004371138 748374260 /nfs/dbraw/zinc/37/42/60/748374260.db2.gz JKXNZKGIJBDSQZ-HOTGVXAUSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004371138 748374267 /nfs/dbraw/zinc/37/42/67/748374267.db2.gz JKXNZKGIJBDSQZ-HOTGVXAUSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004371138 748374274 /nfs/dbraw/zinc/37/42/74/748374274.db2.gz JKXNZKGIJBDSQZ-HOTGVXAUSA-N 2 2 304.438 1.307 20 30 DDEDLP C[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004523443 748511804 /nfs/dbraw/zinc/51/18/04/748511804.db2.gz QRRUAYXIWQDIHR-QGZVFWFLSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004523443 748511809 /nfs/dbraw/zinc/51/18/09/748511809.db2.gz QRRUAYXIWQDIHR-QGZVFWFLSA-N 2 2 318.465 1.555 20 30 DDEDLP CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004539194 748542677 /nfs/dbraw/zinc/54/26/77/748542677.db2.gz HVCJKRLITFTVHF-DLBZAZTESA-N 2 2 320.481 1.799 20 30 DDEDLP CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004539194 748542683 /nfs/dbraw/zinc/54/26/83/748542683.db2.gz HVCJKRLITFTVHF-DLBZAZTESA-N 2 2 320.481 1.799 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032098106 748629370 /nfs/dbraw/zinc/62/93/70/748629370.db2.gz IROLAIKRHGUCJD-UHFFFAOYSA-N 2 2 311.389 1.505 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202192049 748708430 /nfs/dbraw/zinc/70/84/30/748708430.db2.gz QFKJLFDWIRUMSK-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086523923 761899572 /nfs/dbraw/zinc/89/95/72/761899572.db2.gz QOGRAMOEVLLOAC-KOMQPUFPSA-N 2 2 308.385 1.604 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098748 749069541 /nfs/dbraw/zinc/06/95/41/749069541.db2.gz ZBXXZQGKEMGOAO-SJLPKXTDSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001108098748 749069546 /nfs/dbraw/zinc/06/95/46/749069546.db2.gz ZBXXZQGKEMGOAO-SJLPKXTDSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 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QVTUKDGIPHVPTN-HNNXBMFYSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874572 750008345 /nfs/dbraw/zinc/00/83/45/750008345.db2.gz BFNJQVAHYZQNLX-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033879206 750041621 /nfs/dbraw/zinc/04/16/21/750041621.db2.gz XYDKQBJMXZLEPO-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033879206 750041628 /nfs/dbraw/zinc/04/16/28/750041628.db2.gz XYDKQBJMXZLEPO-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640858 750102867 /nfs/dbraw/zinc/10/28/67/750102867.db2.gz HTBDPDCFHJHMAO-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640858 750102872 /nfs/dbraw/zinc/10/28/72/750102872.db2.gz HTBDPDCFHJHMAO-FSDCSDTHSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005605088 750694677 /nfs/dbraw/zinc/69/46/77/750694677.db2.gz HAOIKGVJNIBWIB-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445712 750848429 /nfs/dbraw/zinc/84/84/29/750848429.db2.gz OFSGWXVIHSIXES-ULQDDVLXSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445712 750848438 /nfs/dbraw/zinc/84/84/38/750848438.db2.gz OFSGWXVIHSIXES-ULQDDVLXSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445712 750848447 /nfs/dbraw/zinc/84/84/47/750848447.db2.gz OFSGWXVIHSIXES-ULQDDVLXSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445712 750848457 /nfs/dbraw/zinc/84/84/57/750848457.db2.gz OFSGWXVIHSIXES-ULQDDVLXSA-N 2 2 301.434 1.312 20 30 DDEDLP C#CC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001000684344 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GQUYGDBCMQLDBF-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799473 756484271 /nfs/dbraw/zinc/48/42/71/756484271.db2.gz RCHGMIWNRQOKSZ-RBSFLKMASA-N 2 2 318.421 1.152 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799473 756484272 /nfs/dbraw/zinc/48/42/72/756484272.db2.gz RCHGMIWNRQOKSZ-RBSFLKMASA-N 2 2 318.421 1.152 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016973898 757522641 /nfs/dbraw/zinc/52/26/41/757522641.db2.gz GYLJNIUUIAYAHB-AWEZNQCLSA-N 2 2 322.840 1.915 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464644 757583734 /nfs/dbraw/zinc/58/37/34/757583734.db2.gz LVIITJIFABTJIX-RBSFLKMASA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084464644 757583739 /nfs/dbraw/zinc/58/37/39/757583739.db2.gz LVIITJIFABTJIX-RBSFLKMASA-N 2 2 300.406 1.164 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052724883 757690533 /nfs/dbraw/zinc/69/05/33/757690533.db2.gz DHQOCWFEYPXXBN-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052724883 757690535 /nfs/dbraw/zinc/69/05/35/757690535.db2.gz DHQOCWFEYPXXBN-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001097878499 757958060 /nfs/dbraw/zinc/95/80/60/757958060.db2.gz HXJCUFGAWRPPKL-QCODTGAPSA-N 2 2 314.433 1.821 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001097878499 757958068 /nfs/dbraw/zinc/95/80/68/757958068.db2.gz HXJCUFGAWRPPKL-QCODTGAPSA-N 2 2 314.433 1.821 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659529 758127829 /nfs/dbraw/zinc/12/78/29/758127829.db2.gz VDMZTSCTFSSFAA-BDXSIMOUSA-N 2 2 315.461 1.702 20 30 DDEDLP 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CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736554 758196474 /nfs/dbraw/zinc/19/64/74/758196474.db2.gz UPDQNHZXRBCRME-CALCHBBNSA-N 2 2 308.385 1.646 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736554 758196478 /nfs/dbraw/zinc/19/64/78/758196478.db2.gz UPDQNHZXRBCRME-CALCHBBNSA-N 2 2 308.385 1.646 20 30 DDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001040682549 762647101 /nfs/dbraw/zinc/64/71/01/762647101.db2.gz CXOSWDWLZUTWNE-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001040683400 762648491 /nfs/dbraw/zinc/64/84/91/762648491.db2.gz PWTHAWINXODCNB-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394407 759325839 /nfs/dbraw/zinc/32/58/39/759325839.db2.gz JZUVYBMNQSOZDW-ZIAGYGMSSA-N 2 2 310.829 1.732 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001018858922 759341590 /nfs/dbraw/zinc/34/15/90/759341590.db2.gz ODKVDEWBAJVGEO-OWCLPIDISA-N 2 2 314.433 1.530 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001019060785 759555035 /nfs/dbraw/zinc/55/50/35/759555035.db2.gz GIXIUTRBVWIARY-STQMWFEESA-N 2 2 308.813 1.389 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788175 760242054 /nfs/dbraw/zinc/24/20/54/760242054.db2.gz FRDGNQFHJJFOGZ-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788175 760242060 /nfs/dbraw/zinc/24/20/60/760242060.db2.gz FRDGNQFHJJFOGZ-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086482770 761691545 /nfs/dbraw/zinc/69/15/45/761691545.db2.gz VOPIGNYDXIAPLB-KBUPBQIOSA-N 2 2 302.422 1.584 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138095 761772849 /nfs/dbraw/zinc/77/28/49/761772849.db2.gz TXJBLBLSWOINMI-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001039138095 761772855 /nfs/dbraw/zinc/77/28/55/761772855.db2.gz TXJBLBLSWOINMI-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138095 761772859 /nfs/dbraw/zinc/77/28/59/761772859.db2.gz TXJBLBLSWOINMI-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001039138095 761772863 /nfs/dbraw/zinc/77/28/63/761772863.db2.gz TXJBLBLSWOINMI-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407114 763010767 /nfs/dbraw/zinc/01/07/67/763010767.db2.gz OGSIGZYUPBFQKU-SFHVURJKSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407114 763010771 /nfs/dbraw/zinc/01/07/71/763010771.db2.gz OGSIGZYUPBFQKU-SFHVURJKSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001050033841 763043133 /nfs/dbraw/zinc/04/31/33/763043133.db2.gz AFUXOCUUNMIVLW-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001050033841 763043138 /nfs/dbraw/zinc/04/31/38/763043138.db2.gz AFUXOCUUNMIVLW-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041810445 763362883 /nfs/dbraw/zinc/36/28/83/763362883.db2.gz FDQXKGLJAHQGRC-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041810445 763362888 /nfs/dbraw/zinc/36/28/88/763362888.db2.gz FDQXKGLJAHQGRC-SFHVURJKSA-N 2 2 316.449 1.853 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041810961 763363142 /nfs/dbraw/zinc/36/31/42/763363142.db2.gz KOVPEYWMBLZYFW-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001041810961 763363149 /nfs/dbraw/zinc/36/31/49/763363149.db2.gz KOVPEYWMBLZYFW-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042114731 763668661 /nfs/dbraw/zinc/66/86/61/763668661.db2.gz NRBGQXKSMJVBHT-CVEARBPZSA-N 2 2 314.433 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001042114731 763668664 /nfs/dbraw/zinc/66/86/64/763668664.db2.gz NRBGQXKSMJVBHT-CVEARBPZSA-N 2 2 314.433 1.483 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042177175 763741330 /nfs/dbraw/zinc/74/13/30/763741330.db2.gz UKKKSXQLNMJDLJ-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042177175 763741339 /nfs/dbraw/zinc/74/13/39/763741339.db2.gz UKKKSXQLNMJDLJ-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042355480 763957489 /nfs/dbraw/zinc/95/74/89/763957489.db2.gz MXMIVYLCMIEJAS-CABCVRRESA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042355480 763957495 /nfs/dbraw/zinc/95/74/95/763957495.db2.gz MXMIVYLCMIEJAS-CABCVRRESA-N 2 2 322.840 1.867 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113403198 765653275 /nfs/dbraw/zinc/65/32/75/765653275.db2.gz WXSBJUQGGYKCHC-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113403198 765653279 /nfs/dbraw/zinc/65/32/79/765653279.db2.gz WXSBJUQGGYKCHC-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500788 765890643 /nfs/dbraw/zinc/89/06/43/765890643.db2.gz PICOODKIMVJIPW-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500788 765890647 /nfs/dbraw/zinc/89/06/47/765890647.db2.gz PICOODKIMVJIPW-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987383 766763663 /nfs/dbraw/zinc/76/36/63/766763663.db2.gz PWXSZIJNGVQBPT-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987383 766763667 /nfs/dbraw/zinc/76/36/67/766763667.db2.gz PWXSZIJNGVQBPT-GOSISDBHSA-N 2 2 314.433 1.611 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405213 767500557 /nfs/dbraw/zinc/50/05/57/767500557.db2.gz ZVKLPALULCIOTE-QGZVFWFLSA-N 2 2 322.412 1.203 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434023 767558729 /nfs/dbraw/zinc/55/87/29/767558729.db2.gz JANTYWOPDYBZJS-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434023 767558732 /nfs/dbraw/zinc/55/87/32/767558732.db2.gz JANTYWOPDYBZJS-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434797 767561865 /nfs/dbraw/zinc/56/18/65/767561865.db2.gz RSBVZHXPNMJFGZ-YJBOKZPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434797 767561873 /nfs/dbraw/zinc/56/18/73/767561873.db2.gz RSBVZHXPNMJFGZ-YJBOKZPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091433 768617125 /nfs/dbraw/zinc/61/71/25/768617125.db2.gz XTRCUUQHXBOKAI-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132091433 768617127 /nfs/dbraw/zinc/61/71/27/768617127.db2.gz XTRCUUQHXBOKAI-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091433 768617131 /nfs/dbraw/zinc/61/71/31/768617131.db2.gz XTRCUUQHXBOKAI-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132091433 768617135 /nfs/dbraw/zinc/61/71/35/768617135.db2.gz XTRCUUQHXBOKAI-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546938 768962608 /nfs/dbraw/zinc/96/26/08/768962608.db2.gz UTHNVMGWVNPESK-HOTGVXAUSA-N 2 2 302.422 1.656 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546938 768962611 /nfs/dbraw/zinc/96/26/11/768962611.db2.gz UTHNVMGWVNPESK-HOTGVXAUSA-N 2 2 302.422 1.656 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133242642 769621638 /nfs/dbraw/zinc/62/16/38/769621638.db2.gz VXIDEQBAAVNVBU-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071775894 770046561 /nfs/dbraw/zinc/04/65/61/770046561.db2.gz JOIDKPAEFNWIOF-ZFWWWQNUSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071775894 770046572 /nfs/dbraw/zinc/04/65/72/770046572.db2.gz JOIDKPAEFNWIOF-ZFWWWQNUSA-N 2 2 303.406 1.557 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513372 770954310 /nfs/dbraw/zinc/95/43/10/770954310.db2.gz WFIRQAMDEAJWDD-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513372 770954314 /nfs/dbraw/zinc/95/43/14/770954314.db2.gz WFIRQAMDEAJWDD-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513372 770954323 /nfs/dbraw/zinc/95/43/23/770954323.db2.gz WFIRQAMDEAJWDD-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513372 770954332 /nfs/dbraw/zinc/95/43/32/770954332.db2.gz WFIRQAMDEAJWDD-HZPDHXFCSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513370 770955251 /nfs/dbraw/zinc/95/52/51/770955251.db2.gz WFIRQAMDEAJWDD-HOTGVXAUSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513370 770955257 /nfs/dbraw/zinc/95/52/57/770955257.db2.gz WFIRQAMDEAJWDD-HOTGVXAUSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513370 770955262 /nfs/dbraw/zinc/95/52/62/770955262.db2.gz WFIRQAMDEAJWDD-HOTGVXAUSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513370 770955269 /nfs/dbraw/zinc/95/52/69/770955269.db2.gz WFIRQAMDEAJWDD-HOTGVXAUSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049528493 770981255 /nfs/dbraw/zinc/98/12/55/770981255.db2.gz FNNNSXJQOKXCLS-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049528493 770981259 /nfs/dbraw/zinc/98/12/59/770981259.db2.gz FNNNSXJQOKXCLS-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049528493 770981263 /nfs/dbraw/zinc/98/12/63/770981263.db2.gz FNNNSXJQOKXCLS-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049528493 770981267 /nfs/dbraw/zinc/98/12/67/770981267.db2.gz FNNNSXJQOKXCLS-SQNIBIBYSA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC ZINC001049529638 770985328 /nfs/dbraw/zinc/98/53/28/770985328.db2.gz POWJVHMKJGRKQH-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049529638 770985339 /nfs/dbraw/zinc/98/53/39/770985339.db2.gz POWJVHMKJGRKQH-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC ZINC001049529638 770985347 /nfs/dbraw/zinc/98/53/47/770985347.db2.gz POWJVHMKJGRKQH-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC ZINC001049529638 770985355 /nfs/dbraw/zinc/98/53/55/770985355.db2.gz POWJVHMKJGRKQH-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848423 771205124 /nfs/dbraw/zinc/20/51/24/771205124.db2.gz KJHIZWOKFDEYHN-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848423 771205125 /nfs/dbraw/zinc/20/51/25/771205125.db2.gz KJHIZWOKFDEYHN-KGLIPLIRSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001091166474 772570500 /nfs/dbraw/zinc/57/05/00/772570500.db2.gz LIFZYLOUNOUHOP-UHFFFAOYSA-N 2 2 308.385 1.604 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001091201563 772612137 /nfs/dbraw/zinc/61/21/37/772612137.db2.gz YHTUTSGDXUDWBX-DQPZFDDXSA-N 2 2 321.465 1.300 20 30 DDEDLP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001091201563 772612140 /nfs/dbraw/zinc/61/21/40/772612140.db2.gz YHTUTSGDXUDWBX-DQPZFDDXSA-N 2 2 321.465 1.300 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091754467 773630321 /nfs/dbraw/zinc/63/03/21/773630321.db2.gz QQCVRXDESBCSDT-ADAWSYLGSA-N 2 2 314.433 1.870 20 30 DDEDLP 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC2)C1 ZINC001034249534 848157010 /nfs/dbraw/zinc/15/70/10/848157010.db2.gz KXKZSEBGEZVKGD-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267043 848208348 /nfs/dbraw/zinc/20/83/48/848208348.db2.gz SDEJLNGTDBYUIB-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034267043 848208355 /nfs/dbraw/zinc/20/83/55/848208355.db2.gz SDEJLNGTDBYUIB-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507488 862287399 /nfs/dbraw/zinc/28/73/99/862287399.db2.gz GZDMQPGDCGAFLV-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507488 862287413 /nfs/dbraw/zinc/28/74/13/862287413.db2.gz GZDMQPGDCGAFLV-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP N#CCCC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274040421 851875708 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C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001328693211 863152118 /nfs/dbraw/zinc/15/21/18/863152118.db2.gz FUVVJYBPMVCSLN-CRAIPNDOSA-N 2 2 310.401 1.900 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329443366 863669750 /nfs/dbraw/zinc/66/97/50/863669750.db2.gz ZDNJUNQGJNNXOM-AWEZNQCLSA-N 2 2 304.438 1.775 20 30 DDEDLP C=CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329443366 863669753 /nfs/dbraw/zinc/66/97/53/863669753.db2.gz ZDNJUNQGJNNXOM-AWEZNQCLSA-N 2 2 304.438 1.775 20 30 DDEDLP C#CC[N@@H+](CC1(C)COC1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001330708912 864544559 /nfs/dbraw/zinc/54/45/59/864544559.db2.gz UVRWDNBFXJHFSE-UHFFFAOYSA-N 2 2 306.450 1.459 20 30 DDEDLP C#CC[N@H+](CC1(C)COC1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001330708912 864544571 /nfs/dbraw/zinc/54/45/71/864544571.db2.gz UVRWDNBFXJHFSE-UHFFFAOYSA-N 2 2 306.450 1.459 20 30 DDEDLP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326528 865780181 /nfs/dbraw/zinc/78/01/81/865780181.db2.gz MHGRFUCYFURHNA-IAGOWNOFSA-N 2 2 322.412 1.661 20 30 DDEDLP O=C(NCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326528 865780194 /nfs/dbraw/zinc/78/01/94/865780194.db2.gz MHGRFUCYFURHNA-IAGOWNOFSA-N 2 2 322.412 1.661 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001332400645 865814469 /nfs/dbraw/zinc/81/44/69/865814469.db2.gz XYCUOFDBKSKXIH-LSDHHAIUSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC001332426360 865833827 /nfs/dbraw/zinc/83/38/27/865833827.db2.gz CIKZOQZQYYYCIY-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001332426360 865833839 /nfs/dbraw/zinc/83/38/39/865833839.db2.gz CIKZOQZQYYYCIY-DZGCQCFKSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CCCCC1 ZINC001319669722 866201425 /nfs/dbraw/zinc/20/14/25/866201425.db2.gz SQTNNLPHRVWBEY-QGZVFWFLSA-N 2 2 316.449 1.951 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCOC ZINC001332914085 866249977 /nfs/dbraw/zinc/24/99/77/866249977.db2.gz OOWKQLLTNILTGW-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847293 866339431 /nfs/dbraw/zinc/33/94/31/866339431.db2.gz HDLJBOFUFOLBRN-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847293 866339445 /nfs/dbraw/zinc/33/94/45/866339445.db2.gz HDLJBOFUFOLBRN-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC001333214298 866530055 /nfs/dbraw/zinc/53/00/55/866530055.db2.gz FJIGYICYRMTVFC-HNNXBMFYSA-N 2 2 303.410 1.012 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC001333214298 866530071 /nfs/dbraw/zinc/53/00/71/866530071.db2.gz FJIGYICYRMTVFC-HNNXBMFYSA-N 2 2 303.410 1.012 20 30 DDEDLP C=CCOCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989459 867164710 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C#CCOCC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001322060142 867962339 /nfs/dbraw/zinc/96/23/39/867962339.db2.gz MVNSKVPLQMKMGX-UHFFFAOYSA-N 2 2 315.461 1.780 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322192206 868037728 /nfs/dbraw/zinc/03/77/28/868037728.db2.gz FOHWGHOPCQKNAI-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322192206 868037739 /nfs/dbraw/zinc/03/77/39/868037739.db2.gz FOHWGHOPCQKNAI-GJZGRUSLSA-N 2 2 320.437 1.085 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317375189 870733115 /nfs/dbraw/zinc/73/31/15/870733115.db2.gz IBUPTIJWOOPMJP-MRXNPFEDSA-N 2 2 315.417 1.579 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317375189 870733122 /nfs/dbraw/zinc/73/31/22/870733122.db2.gz IBUPTIJWOOPMJP-MRXNPFEDSA-N 2 2 315.417 1.579 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816396 870776957 /nfs/dbraw/zinc/77/69/57/870776957.db2.gz WGQWOGJUHPSDSX-LSDHHAIUSA-N 2 2 302.422 1.866 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317433003 870826675 /nfs/dbraw/zinc/82/66/75/870826675.db2.gz CHUUDBLXHWZHTE-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317433003 870826683 /nfs/dbraw/zinc/82/66/83/870826683.db2.gz CHUUDBLXHWZHTE-HNNXBMFYSA-N 2 2 302.422 1.645 20 30 DDEDLP Cn1cc(C[NH+]2CC3(C2)CCCN(CC[NH+](C)C)C3)cc1C#N ZINC001276463655 871102913 /nfs/dbraw/zinc/10/29/13/871102913.db2.gz YPLVWTVOTYKJHR-UHFFFAOYSA-N 2 2 315.465 1.356 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342754918 872369292 /nfs/dbraw/zinc/36/92/92/872369292.db2.gz MVIOTCFTNYFGMR-AWEZNQCLSA-N 2 2 302.422 1.567 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985835 874583112 /nfs/dbraw/zinc/58/31/12/874583112.db2.gz YQASVEGOEHNUBR-OWCLPIDISA-N 2 2 320.437 1.473 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985835 874583114 /nfs/dbraw/zinc/58/31/14/874583114.db2.gz YQASVEGOEHNUBR-OWCLPIDISA-N 2 2 320.437 1.473 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001276633511 874812821 /nfs/dbraw/zinc/81/28/21/874812821.db2.gz HYGDZVYIYJPVCL-GOSISDBHSA-N 2 2 322.412 1.994 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209576804 874983397 /nfs/dbraw/zinc/98/33/97/874983397.db2.gz AIPVYQQIXKKXSS-KBPBESRZSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211364902 875773784 /nfs/dbraw/zinc/77/37/84/875773784.db2.gz SNPNABNBSFGSHZ-OIISXLGYSA-N 2 2 301.434 1.912 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211364902 875773796 /nfs/dbraw/zinc/77/37/96/875773796.db2.gz SNPNABNBSFGSHZ-OIISXLGYSA-N 2 2 301.434 1.912 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374211 875780905 /nfs/dbraw/zinc/78/09/05/875780905.db2.gz CXKPYEUPAFZZLI-NXHRZFHOSA-N 2 2 313.445 1.749 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374211 875780913 /nfs/dbraw/zinc/78/09/13/875780913.db2.gz CXKPYEUPAFZZLI-NXHRZFHOSA-N 2 2 313.445 1.749 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215006364 876538937 /nfs/dbraw/zinc/53/89/37/876538937.db2.gz VHNGZSPTTBMEOR-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC001356618253 879134817 /nfs/dbraw/zinc/13/48/17/879134817.db2.gz JMKYWKRMDLYHLM-KRWDZBQOSA-N 2 2 320.408 1.390 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852272 879316960 /nfs/dbraw/zinc/31/69/60/879316960.db2.gz CGEPNBDOXVNZBY-CVEARBPZSA-N 2 2 322.453 1.392 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852272 879316982 /nfs/dbraw/zinc/31/69/82/879316982.db2.gz CGEPNBDOXVNZBY-CVEARBPZSA-N 2 2 322.453 1.392 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801232 883677349 /nfs/dbraw/zinc/67/73/49/883677349.db2.gz VWWAXRMMSZOATR-HUUCEWRRSA-N 2 2 306.410 1.172 20 30 DDEDLP CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230617507 884656974 /nfs/dbraw/zinc/65/69/74/884656974.db2.gz BMZLAFVWJGCMNA-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230617507 884656983 /nfs/dbraw/zinc/65/69/83/884656983.db2.gz BMZLAFVWJGCMNA-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230617507 884656991 /nfs/dbraw/zinc/65/69/91/884656991.db2.gz BMZLAFVWJGCMNA-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230617507 884656999 /nfs/dbraw/zinc/65/69/99/884656999.db2.gz BMZLAFVWJGCMNA-KRWDZBQOSA-N 2 2 320.481 1.945 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234214337 887752078 /nfs/dbraw/zinc/75/20/78/887752078.db2.gz AEIKRIQJDXGPJT-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234214337 887752087 /nfs/dbraw/zinc/75/20/87/887752087.db2.gz AEIKRIQJDXGPJT-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234214337 887752096 /nfs/dbraw/zinc/75/20/96/887752096.db2.gz AEIKRIQJDXGPJT-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234214337 887752105 /nfs/dbraw/zinc/75/21/05/887752105.db2.gz AEIKRIQJDXGPJT-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277883537 888191590 /nfs/dbraw/zinc/19/15/90/888191590.db2.gz JYAGTKWBFKWLIG-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP Cn1cc(C[N@@H+]2CCC23CN(CCC[NH+](C)C)C3)cc1C#N ZINC001278049176 889494648 /nfs/dbraw/zinc/49/46/48/889494648.db2.gz HQTLHQBRXBKXHS-UHFFFAOYSA-N 2 2 301.438 1.109 20 30 DDEDLP Cn1cc(C[N@H+]2CCC23CN(CCC[NH+](C)C)C3)cc1C#N ZINC001278049176 889494660 /nfs/dbraw/zinc/49/46/60/889494660.db2.gz HQTLHQBRXBKXHS-UHFFFAOYSA-N 2 2 301.438 1.109 20 30 DDEDLP CC#CC[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001281845075 889560607 /nfs/dbraw/zinc/56/06/07/889560607.db2.gz MGVNJKVCMUNTBD-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP CC#CC[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001281845075 889560613 /nfs/dbraw/zinc/56/06/13/889560613.db2.gz MGVNJKVCMUNTBD-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC(=C)C)CC1 ZINC001278194173 890064635 /nfs/dbraw/zinc/06/46/35/890064635.db2.gz ICSHIKDQQOGSEF-UHFFFAOYSA-N 2 2 314.433 1.465 20 30 DDEDLP N#C[C@@H]1C[C@H]([NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)CCN1 ZINC001247001465 893070016 /nfs/dbraw/zinc/07/00/16/893070016.db2.gz ISEZCOKSYGZRFU-DLBZAZTESA-N 2 2 310.445 1.768 20 30 DDEDLP N#Cc1ccn2ncc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001249082446 893812039 /nfs/dbraw/zinc/81/20/39/893812039.db2.gz SXDMIMBEOSRREE-UHFFFAOYSA-N 2 2 318.384 1.923 20 30 DDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001366741296 894780426 /nfs/dbraw/zinc/78/04/26/894780426.db2.gz XSGBJIRVILOXAB-AWEZNQCLSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001366741296 894780441 /nfs/dbraw/zinc/78/04/41/894780441.db2.gz XSGBJIRVILOXAB-AWEZNQCLSA-N 2 2 301.862 1.906 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001252469199 895184309 /nfs/dbraw/zinc/18/43/09/895184309.db2.gz WXXDPEGCKHFQHQ-DLBZAZTESA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001252469199 895184314 /nfs/dbraw/zinc/18/43/14/895184314.db2.gz WXXDPEGCKHFQHQ-DLBZAZTESA-N 2 2 312.454 1.125 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC001367915409 898181078 /nfs/dbraw/zinc/18/10/78/898181078.db2.gz XVICBBRZKQXMGR-QGZVFWFLSA-N 2 2 323.400 1.508 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001368030398 898532607 /nfs/dbraw/zinc/53/26/07/898532607.db2.gz SNRNJOMQIXQLHE-UHFFFAOYSA-N 2 2 315.402 1.324 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1C#N ZINC001390509930 899574972 /nfs/dbraw/zinc/57/49/72/899574972.db2.gz NKUNCMJEKICMGI-CYBMUJFWSA-N 2 2 311.389 1.129 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264153208 900982202 /nfs/dbraw/zinc/98/22/02/900982202.db2.gz ZCHPUKGSQHKPDG-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264153208 900982217 /nfs/dbraw/zinc/98/22/17/900982217.db2.gz ZCHPUKGSQHKPDG-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001264424273 901112772 /nfs/dbraw/zinc/11/27/72/901112772.db2.gz BOFSOYWCMONKCO-CTYIDZIISA-N 2 2 301.390 1.140 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001265440304 902018455 /nfs/dbraw/zinc/01/84/55/902018455.db2.gz MBNQMPAHXNZXOL-INIZCTEOSA-N 2 2 308.385 1.700 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001265649433 902251928 /nfs/dbraw/zinc/25/19/28/902251928.db2.gz RCHAHUIDFHYCKF-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001265649433 902251937 /nfs/dbraw/zinc/25/19/37/902251937.db2.gz RCHAHUIDFHYCKF-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001279250511 903202688 /nfs/dbraw/zinc/20/26/88/903202688.db2.gz XCKDKLLBIVGQDY-HPUBIQBYSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316618556 905653147 /nfs/dbraw/zinc/65/31/47/905653147.db2.gz NBIHIXGEFDIUMD-OAGGEKHMSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820753 906071089 /nfs/dbraw/zinc/07/10/89/906071089.db2.gz MMWXCRLNOZQINW-HIFRSBDPSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820753 906071104 /nfs/dbraw/zinc/07/11/04/906071104.db2.gz MMWXCRLNOZQINW-HIFRSBDPSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820753 906071115 /nfs/dbraw/zinc/07/11/15/906071115.db2.gz MMWXCRLNOZQINW-HIFRSBDPSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820753 906071135 /nfs/dbraw/zinc/07/11/35/906071135.db2.gz MMWXCRLNOZQINW-HIFRSBDPSA-N 2 2 302.422 1.438 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283905135 908163392 /nfs/dbraw/zinc/16/33/92/908163392.db2.gz JFGHFPLRQQSBQN-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372803799 908301173 /nfs/dbraw/zinc/30/11/73/908301173.db2.gz KWJUJKSARXZPFA-HNNXBMFYSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372803799 908301185 /nfs/dbraw/zinc/30/11/85/908301185.db2.gz KWJUJKSARXZPFA-HNNXBMFYSA-N 2 2 311.857 1.661 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)cc1 ZINC001376247373 918064471 /nfs/dbraw/zinc/06/44/71/918064471.db2.gz CSPRDTLTUAAKBP-MRXNPFEDSA-N 2 2 323.400 1.508 20 30 DDEDLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377862534 923263664 /nfs/dbraw/zinc/26/36/64/923263664.db2.gz OKFNAGKALDREML-STQMWFEESA-N 2 2 311.389 1.507 20 30 DDEDLP C[C@@H](C#N)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182848194 354276923 /nfs/dbraw/zinc/27/69/23/354276923.db2.gz LUVLIZSJIMMUCI-LSVZVQIISA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@@H](C#N)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182848194 354276926 /nfs/dbraw/zinc/27/69/26/354276926.db2.gz LUVLIZSJIMMUCI-LSVZVQIISA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000316606548 354504384 /nfs/dbraw/zinc/50/43/84/354504384.db2.gz NRCFNRHYAZTMNF-ZFWWWQNUSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000316606548 354504388 /nfs/dbraw/zinc/50/43/88/354504388.db2.gz NRCFNRHYAZTMNF-ZFWWWQNUSA-N 2 2 321.446 1.404 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCOCC1 ZINC000599340212 357901333 /nfs/dbraw/zinc/90/13/33/357901333.db2.gz CSSFSUCOGKQXPS-OAHLLOKOSA-N 2 2 318.421 1.660 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000600719435 358294482 /nfs/dbraw/zinc/29/44/82/358294482.db2.gz SPEVAXXJLNKMQU-HNNXBMFYSA-N 2 2 300.406 1.695 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000602675576 359119770 /nfs/dbraw/zinc/11/97/70/359119770.db2.gz UVMGRSFYKYFHBL-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000602675576 359119773 /nfs/dbraw/zinc/11/97/73/359119773.db2.gz UVMGRSFYKYFHBL-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603432627 359636552 /nfs/dbraw/zinc/63/65/52/359636552.db2.gz NPUVKAZRWGWPQE-IBGZPJMESA-N 2 2 311.429 1.887 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329819139 223034107 /nfs/dbraw/zinc/03/41/07/223034107.db2.gz XQMNLHYYQYEXNA-IUODEOHRSA-N 2 2 317.437 1.706 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329819139 223034110 /nfs/dbraw/zinc/03/41/10/223034110.db2.gz XQMNLHYYQYEXNA-IUODEOHRSA-N 2 2 317.437 1.706 20 30 DDEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862819 361608865 /nfs/dbraw/zinc/60/88/65/361608865.db2.gz YGGNEUDRTGYMHW-OAHLLOKOSA-N 2 2 321.469 1.346 20 30 DDEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862819 361608868 /nfs/dbraw/zinc/60/88/68/361608868.db2.gz YGGNEUDRTGYMHW-OAHLLOKOSA-N 2 2 321.469 1.346 20 30 DDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000619721240 364131156 /nfs/dbraw/zinc/13/11/56/364131156.db2.gz XYTXIFJWNIBHJG-HNNXBMFYSA-N 2 2 309.454 1.064 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860131 406944379 /nfs/dbraw/zinc/94/43/79/406944379.db2.gz DMFYVVWFCSQVJN-KBPBESRZSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860131 406944381 /nfs/dbraw/zinc/94/43/81/406944381.db2.gz DMFYVVWFCSQVJN-KBPBESRZSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860131 406944384 /nfs/dbraw/zinc/94/43/84/406944384.db2.gz DMFYVVWFCSQVJN-KBPBESRZSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860131 406944387 /nfs/dbraw/zinc/94/43/87/406944387.db2.gz DMFYVVWFCSQVJN-KBPBESRZSA-N 2 2 310.442 1.193 20 30 DDEDLP C#CC[NH+](CC#C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076185298 406957977 /nfs/dbraw/zinc/95/79/77/406957977.db2.gz VZHXMTNNYXZFRY-UHFFFAOYSA-N 2 2 323.440 1.467 20 30 DDEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664825 407201037 /nfs/dbraw/zinc/20/10/37/407201037.db2.gz PLUKWOOKHGIMRO-SFHVURJKSA-N 2 2 314.429 1.853 20 30 DDEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664825 407201039 /nfs/dbraw/zinc/20/10/39/407201039.db2.gz PLUKWOOKHGIMRO-SFHVURJKSA-N 2 2 314.429 1.853 20 30 DDEDLP C=CCNC(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000268731547 408178584 /nfs/dbraw/zinc/17/85/84/408178584.db2.gz TVAWNMWMWYCGTR-UHFFFAOYSA-N 2 2 321.856 1.552 20 30 DDEDLP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H](C)C#N ZINC000184959409 408725431 /nfs/dbraw/zinc/72/54/31/408725431.db2.gz UZAVESWCWVKCMT-RDJZCZTQSA-N 2 2 316.449 1.887 20 30 DDEDLP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H](C)C#N ZINC000184959409 408725437 /nfs/dbraw/zinc/72/54/37/408725437.db2.gz UZAVESWCWVKCMT-RDJZCZTQSA-N 2 2 316.449 1.887 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000124018862 221554500 /nfs/dbraw/zinc/55/45/00/221554500.db2.gz RXSANWOFLKLCTF-WBVHZDCISA-N 2 2 314.433 1.638 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247243573 222228352 /nfs/dbraw/zinc/22/83/52/222228352.db2.gz ZHYIFAGUATZHBQ-HZPDHXFCSA-N 2 2 306.454 1.697 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247243573 222228354 /nfs/dbraw/zinc/22/83/54/222228354.db2.gz ZHYIFAGUATZHBQ-HZPDHXFCSA-N 2 2 306.454 1.697 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264071073 222313183 /nfs/dbraw/zinc/31/31/83/222313183.db2.gz GGQLFUYVJWOWCD-AWEZNQCLSA-N 2 2 322.453 1.963 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264076443 222314211 /nfs/dbraw/zinc/31/42/11/222314211.db2.gz HIEHGFLIBNBRCE-INIZCTEOSA-N 2 2 304.438 1.448 20 30 DDEDLP CC(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264076443 222314214 /nfs/dbraw/zinc/31/42/14/222314214.db2.gz HIEHGFLIBNBRCE-INIZCTEOSA-N 2 2 304.438 1.448 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887367 418690650 /nfs/dbraw/zinc/69/06/50/418690650.db2.gz CWOIAICVBQWODG-AWEZNQCLSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887367 418690653 /nfs/dbraw/zinc/69/06/53/418690653.db2.gz CWOIAICVBQWODG-AWEZNQCLSA-N 2 2 316.287 1.995 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000376201205 418693997 /nfs/dbraw/zinc/69/39/97/418693997.db2.gz ZCIPHDYLAXVSQS-UHFFFAOYSA-N 2 2 317.437 1.949 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000376201205 418693999 /nfs/dbraw/zinc/69/39/99/418693999.db2.gz ZCIPHDYLAXVSQS-UHFFFAOYSA-N 2 2 317.437 1.949 20 30 DDEDLP C#CCCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362636704 418757819 /nfs/dbraw/zinc/75/78/19/418757819.db2.gz FWAGZEHAYVPCHX-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362636704 418757821 /nfs/dbraw/zinc/75/78/21/418757821.db2.gz FWAGZEHAYVPCHX-MRXNPFEDSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000362719520 418758890 /nfs/dbraw/zinc/75/88/90/418758890.db2.gz LFVZKSJICAVWAT-FUHWJXTLSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000362719520 418758892 /nfs/dbraw/zinc/75/88/92/418758892.db2.gz LFVZKSJICAVWAT-FUHWJXTLSA-N 2 2 300.402 1.651 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414972756 419901670 /nfs/dbraw/zinc/90/16/70/419901670.db2.gz YCFYFQGTYVJPJX-HNNXBMFYSA-N 2 2 305.422 1.253 20 30 DDEDLP N#CCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000430766638 420188615 /nfs/dbraw/zinc/18/86/15/420188615.db2.gz XLYWDIGZSSEMPV-UHFFFAOYSA-N 2 2 306.454 1.066 20 30 DDEDLP N#CCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000430766638 420188617 /nfs/dbraw/zinc/18/86/17/420188617.db2.gz XLYWDIGZSSEMPV-UHFFFAOYSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752144 421202715 /nfs/dbraw/zinc/20/27/15/421202715.db2.gz ZFQSPPSHNOMBNR-HKUYNNGSSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752144 421202718 /nfs/dbraw/zinc/20/27/18/421202718.db2.gz ZFQSPPSHNOMBNR-HKUYNNGSSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752144 421202719 /nfs/dbraw/zinc/20/27/19/421202719.db2.gz ZFQSPPSHNOMBNR-HKUYNNGSSA-N 2 2 316.445 1.548 20 30 DDEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCc2ccccc21 ZINC000491752144 421202721 /nfs/dbraw/zinc/20/27/21/421202721.db2.gz ZFQSPPSHNOMBNR-HKUYNNGSSA-N 2 2 316.445 1.548 20 30 DDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000569012348 421624056 /nfs/dbraw/zinc/62/40/56/421624056.db2.gz KRHWGHKKDDAZLA-MRXNPFEDSA-N 2 2 314.389 1.369 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612379520 422482100 /nfs/dbraw/zinc/48/21/00/422482100.db2.gz STYOFSFQKFVHMG-KRWDZBQOSA-N 2 2 321.469 1.348 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324127 424573231 /nfs/dbraw/zinc/57/32/31/424573231.db2.gz VCLQMJUAMYRILO-SJORKVTESA-N 2 2 323.481 1.618 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324127 424573236 /nfs/dbraw/zinc/57/32/36/424573236.db2.gz VCLQMJUAMYRILO-SJORKVTESA-N 2 2 323.481 1.618 20 30 DDEDLP C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660712885 424754295 /nfs/dbraw/zinc/75/42/95/424754295.db2.gz NZBOQYICIFGOBE-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CCOCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660712885 424754297 /nfs/dbraw/zinc/75/42/97/424754297.db2.gz NZBOQYICIFGOBE-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662786813 424767500 /nfs/dbraw/zinc/76/75/00/424767500.db2.gz YQLFYEWVAKIHNH-SFHVURJKSA-N 2 2 314.433 1.424 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091104 266966870 /nfs/dbraw/zinc/96/68/70/266966870.db2.gz CTYADQNEPMOOIS-CJNGLKHVSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091104 266966873 /nfs/dbraw/zinc/96/68/73/266966873.db2.gz CTYADQNEPMOOIS-CJNGLKHVSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000316807915 267168717 /nfs/dbraw/zinc/16/87/17/267168717.db2.gz DSQZJDOTCVNSAO-CYBMUJFWSA-N 2 2 318.402 1.207 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198840 278214929 /nfs/dbraw/zinc/21/49/29/278214929.db2.gz GUCBQXXPHNJOBO-DZGCQCFKSA-N 2 2 300.406 1.769 20 30 DDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198840 278214931 /nfs/dbraw/zinc/21/49/31/278214931.db2.gz GUCBQXXPHNJOBO-DZGCQCFKSA-N 2 2 300.406 1.769 20 30 DDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450193 279040173 /nfs/dbraw/zinc/04/01/73/279040173.db2.gz OIZYRUOUSYPBKJ-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450193 279040175 /nfs/dbraw/zinc/04/01/75/279040175.db2.gz OIZYRUOUSYPBKJ-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450193 279040177 /nfs/dbraw/zinc/04/01/77/279040177.db2.gz OIZYRUOUSYPBKJ-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245450193 279040180 /nfs/dbraw/zinc/04/01/80/279040180.db2.gz OIZYRUOUSYPBKJ-HZPDHXFCSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[C@]1(C)COCC[N@@H+]1CC#CC[NH+]1CCOC[C@]1(C)CC ZINC000341908458 281330766 /nfs/dbraw/zinc/33/07/66/281330766.db2.gz DKNKJJZRTGJBKP-HDICACEKSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@]1(C)COCC[N@H+]1CC#CC[NH+]1CCOC[C@]1(C)CC ZINC000341908458 281330768 /nfs/dbraw/zinc/33/07/68/281330768.db2.gz DKNKJJZRTGJBKP-HDICACEKSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@]1(C)COCC[NH+]1CC#CC[N@@H+]1CCOC[C@]1(C)CC ZINC000341908458 281330770 /nfs/dbraw/zinc/33/07/70/281330770.db2.gz DKNKJJZRTGJBKP-HDICACEKSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@]1(C)COCC[NH+]1CC#CC[N@H+]1CCOC[C@]1(C)CC ZINC000341908458 281330772 /nfs/dbraw/zinc/33/07/72/281330772.db2.gz DKNKJJZRTGJBKP-HDICACEKSA-N 2 2 308.466 1.992 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244081 332303014 /nfs/dbraw/zinc/30/30/14/332303014.db2.gz ONBMZHBTLZLZGN-AWEZNQCLSA-N 2 2 303.410 1.528 20 30 DDEDLP C=C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000341992722 526908156 /nfs/dbraw/zinc/90/81/56/526908156.db2.gz CMPXVFGGDRRTBT-INIZCTEOSA-N 2 2 314.433 1.771 20 30 DDEDLP CC(C)[C@H]1C[NH+](CC#CC[N@@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000341906056 527851461 /nfs/dbraw/zinc/85/14/61/527851461.db2.gz UHIKRQMXKVBFLQ-QZTJIDSGSA-N 2 2 308.466 1.703 20 30 DDEDLP CC(C)[C@H]1C[NH+](CC#CC[N@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000341906056 527851471 /nfs/dbraw/zinc/85/14/71/527851471.db2.gz UHIKRQMXKVBFLQ-QZTJIDSGSA-N 2 2 308.466 1.703 20 30 DDEDLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330858845 528739302 /nfs/dbraw/zinc/73/93/02/528739302.db2.gz RAFDLOVTOXLWIG-HNNXBMFYSA-N 2 2 319.453 1.834 20 30 DDEDLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330858845 528739304 /nfs/dbraw/zinc/73/93/04/528739304.db2.gz RAFDLOVTOXLWIG-HNNXBMFYSA-N 2 2 319.453 1.834 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514775 735283781 /nfs/dbraw/zinc/28/37/81/735283781.db2.gz RLKSFFDQRCPBOC-INIZCTEOSA-N 2 2 322.412 1.947 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514775 735283784 /nfs/dbraw/zinc/28/37/84/735283784.db2.gz RLKSFFDQRCPBOC-INIZCTEOSA-N 2 2 322.412 1.947 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980194165 696705836 /nfs/dbraw/zinc/70/58/36/696705836.db2.gz QEQLHFMKFQVZQV-MJBXVCDLSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980194165 696705838 /nfs/dbraw/zinc/70/58/38/696705838.db2.gz QEQLHFMKFQVZQV-MJBXVCDLSA-N 2 2 322.840 1.921 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972026839 695141986 /nfs/dbraw/zinc/14/19/86/695141986.db2.gz NPZTVIDMLAXBAX-KRWDZBQOSA-N 2 2 308.385 1.652 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000972026839 695141987 /nfs/dbraw/zinc/14/19/87/695141987.db2.gz NPZTVIDMLAXBAX-KRWDZBQOSA-N 2 2 308.385 1.652 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035899 695781811 /nfs/dbraw/zinc/78/18/11/695781811.db2.gz BZHRRMLWMFCQHT-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035899 695781812 /nfs/dbraw/zinc/78/18/12/695781812.db2.gz BZHRRMLWMFCQHT-UKRRQHHQSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978310494 696362031 /nfs/dbraw/zinc/36/20/31/696362031.db2.gz AVLYZOHMDQMGHU-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978310494 696362033 /nfs/dbraw/zinc/36/20/33/696362033.db2.gz AVLYZOHMDQMGHU-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978310494 696362036 /nfs/dbraw/zinc/36/20/36/696362036.db2.gz AVLYZOHMDQMGHU-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978310494 696362039 /nfs/dbraw/zinc/36/20/39/696362039.db2.gz AVLYZOHMDQMGHU-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854858 698797907 /nfs/dbraw/zinc/79/79/07/698797907.db2.gz WBHPPBVYQATRLP-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000732058506 699545145 /nfs/dbraw/zinc/54/51/45/699545145.db2.gz AFMLHDRWPXVLFB-KRWDZBQOSA-N 2 2 315.417 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000732058506 699545146 /nfs/dbraw/zinc/54/51/46/699545146.db2.gz AFMLHDRWPXVLFB-KRWDZBQOSA-N 2 2 315.417 1.663 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000764438632 700970808 /nfs/dbraw/zinc/97/08/08/700970808.db2.gz PKGIEGYCJQHSSV-UHFFFAOYSA-N 2 2 316.449 1.490 20 30 DDEDLP COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1C#N ZINC000817915221 702519522 /nfs/dbraw/zinc/51/95/22/702519522.db2.gz JDTBRNXYRKVPLW-IAGOWNOFSA-N 2 2 301.390 1.423 20 30 DDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000848410304 703547519 /nfs/dbraw/zinc/54/75/19/703547519.db2.gz JVGXLUZQSSIJQY-KGLIPLIRSA-N 2 2 305.426 1.825 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000874264038 704989758 /nfs/dbraw/zinc/98/97/58/704989758.db2.gz PNUXGZZHKWXZBU-UHFFFAOYSA-N 2 2 313.445 1.328 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000874264038 704989761 /nfs/dbraw/zinc/98/97/61/704989761.db2.gz PNUXGZZHKWXZBU-UHFFFAOYSA-N 2 2 313.445 1.328 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903865550 711308379 /nfs/dbraw/zinc/30/83/79/711308379.db2.gz ZYDQSROMYNCQHE-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903865550 711308382 /nfs/dbraw/zinc/30/83/82/711308382.db2.gz ZYDQSROMYNCQHE-ZMSDIMECSA-N 2 2 301.390 1.111 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1C#N ZINC000895597256 711554111 /nfs/dbraw/zinc/55/41/11/711554111.db2.gz GYXAKEFQCRMYHJ-CYBMUJFWSA-N 2 2 318.425 1.245 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1C#N ZINC000895597256 711554115 /nfs/dbraw/zinc/55/41/15/711554115.db2.gz GYXAKEFQCRMYHJ-CYBMUJFWSA-N 2 2 318.425 1.245 20 30 DDEDLP C#Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000934922560 714930120 /nfs/dbraw/zinc/93/01/20/714930120.db2.gz KDCPCCCKPNRTAK-UHFFFAOYSA-N 2 2 302.422 1.673 20 30 DDEDLP C#Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000934922560 714930123 /nfs/dbraw/zinc/93/01/23/714930123.db2.gz KDCPCCCKPNRTAK-UHFFFAOYSA-N 2 2 302.422 1.673 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181192 717530940 /nfs/dbraw/zinc/53/09/40/717530940.db2.gz QSZWLQUAVNENKM-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942181192 717530943 /nfs/dbraw/zinc/53/09/43/717530943.db2.gz QSZWLQUAVNENKM-ZFWWWQNUSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487066 717697156 /nfs/dbraw/zinc/69/71/56/717697156.db2.gz QMSAVIZAVPSDSB-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942487066 717697159 /nfs/dbraw/zinc/69/71/59/717697159.db2.gz QMSAVIZAVPSDSB-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631565 718859335 /nfs/dbraw/zinc/85/93/35/718859335.db2.gz OILMEYPVLHHCFZ-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631565 718859342 /nfs/dbraw/zinc/85/93/42/718859342.db2.gz OILMEYPVLHHCFZ-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631565 718859347 /nfs/dbraw/zinc/85/93/47/718859347.db2.gz OILMEYPVLHHCFZ-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631565 718859352 /nfs/dbraw/zinc/85/93/52/718859352.db2.gz OILMEYPVLHHCFZ-QKPAOTATSA-N 2 2 314.433 1.870 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803800 718914072 /nfs/dbraw/zinc/91/40/72/718914072.db2.gz WOCXSGJQAFKGRV-YESZJQIVSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803800 718914075 /nfs/dbraw/zinc/91/40/75/718914075.db2.gz WOCXSGJQAFKGRV-YESZJQIVSA-N 2 2 314.433 1.638 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540864 719204384 /nfs/dbraw/zinc/20/43/84/719204384.db2.gz ZKWXZUHLMBUIHV-CABCVRRESA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540864 719204385 /nfs/dbraw/zinc/20/43/85/719204385.db2.gz ZKWXZUHLMBUIHV-CABCVRRESA-N 2 2 310.401 1.940 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930774 719310502 /nfs/dbraw/zinc/31/05/02/719310502.db2.gz VCNZZJIFLSNPRZ-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930774 719310504 /nfs/dbraw/zinc/31/05/04/719310504.db2.gz VCNZZJIFLSNPRZ-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058885 719406334 /nfs/dbraw/zinc/40/63/34/719406334.db2.gz NJXDVQJEUHJUPV-GDBMZVCRSA-N 2 2 317.433 1.805 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058885 719406335 /nfs/dbraw/zinc/40/63/35/719406335.db2.gz NJXDVQJEUHJUPV-GDBMZVCRSA-N 2 2 317.433 1.805 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925442 719874698 /nfs/dbraw/zinc/87/46/98/719874698.db2.gz DHMWURZFWOIBRK-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925724 719877488 /nfs/dbraw/zinc/87/74/88/719877488.db2.gz LISOCTVZOBGEAM-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000968925724 719877494 /nfs/dbraw/zinc/87/74/94/719877494.db2.gz LISOCTVZOBGEAM-CQSZACIVSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970730567 720912688 /nfs/dbraw/zinc/91/26/88/720912688.db2.gz IWWYGZZUPUFHMY-AWEZNQCLSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203203353 733585961 /nfs/dbraw/zinc/58/59/61/733585961.db2.gz QHNOIDDHDIRYAB-UONOGXRCSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311693 734481305 /nfs/dbraw/zinc/48/13/05/734481305.db2.gz WCWWEJGYWSPEIL-RWMBFGLXSA-N 2 2 308.813 1.435 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001022494440 734566822 /nfs/dbraw/zinc/56/68/22/734566822.db2.gz LSLMUJYJYHUJMT-BBWFWOEESA-N 2 2 321.465 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001022494440 734566827 /nfs/dbraw/zinc/56/68/27/734566827.db2.gz LSLMUJYJYHUJMT-BBWFWOEESA-N 2 2 321.465 1.300 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC001027940692 738841849 /nfs/dbraw/zinc/84/18/49/738841849.db2.gz QZVDCXSVHWMNFL-PYMSSDGJSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC001027940692 738841852 /nfs/dbraw/zinc/84/18/52/738841852.db2.gz QZVDCXSVHWMNFL-PYMSSDGJSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C/C=C\Cl ZINC001027940692 738841855 /nfs/dbraw/zinc/84/18/55/738841855.db2.gz QZVDCXSVHWMNFL-PYMSSDGJSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C/C=C\Cl ZINC001027940692 738841857 /nfs/dbraw/zinc/84/18/57/738841857.db2.gz QZVDCXSVHWMNFL-PYMSSDGJSA-N 2 2 309.841 1.417 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001022929678 734896880 /nfs/dbraw/zinc/89/68/80/734896880.db2.gz LNVNTLGXFZMSDL-OKILXGFUSA-N 2 2 311.389 1.694 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573827 735262595 /nfs/dbraw/zinc/26/25/95/735262595.db2.gz SZJWMYHAFNKQRR-QGZVFWFLSA-N 2 2 318.421 1.222 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131244 739075476 /nfs/dbraw/zinc/07/54/76/739075476.db2.gz GDQPOTBFLNKGLF-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131244 739075480 /nfs/dbraw/zinc/07/54/80/739075480.db2.gz GDQPOTBFLNKGLF-KBPBESRZSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCCC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514413 739081536 /nfs/dbraw/zinc/08/15/36/739081536.db2.gz STUSSZUXSOLUEQ-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=CCCC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514413 739081541 /nfs/dbraw/zinc/08/15/41/739081541.db2.gz STUSSZUXSOLUEQ-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231143 739201321 /nfs/dbraw/zinc/20/13/21/739201321.db2.gz YGBIMDFVNXSKQC-INIZCTEOSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231143 739201324 /nfs/dbraw/zinc/20/13/24/739201324.db2.gz YGBIMDFVNXSKQC-INIZCTEOSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796675 740052316 /nfs/dbraw/zinc/05/23/16/740052316.db2.gz DPKFUYOAGNSTGG-KGLIPLIRSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796675 740052319 /nfs/dbraw/zinc/05/23/19/740052319.db2.gz DPKFUYOAGNSTGG-KGLIPLIRSA-N 2 2 300.406 1.291 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038432783 740433981 /nfs/dbraw/zinc/43/39/81/740433981.db2.gz YGBPHCZRPOELJO-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038432783 740433985 /nfs/dbraw/zinc/43/39/85/740433985.db2.gz YGBPHCZRPOELJO-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038432783 740433987 /nfs/dbraw/zinc/43/39/87/740433987.db2.gz YGBPHCZRPOELJO-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038432783 740433990 /nfs/dbraw/zinc/43/39/90/740433990.db2.gz YGBPHCZRPOELJO-UONOGXRCSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495955 751555384 /nfs/dbraw/zinc/55/53/84/751555384.db2.gz HGUVSRAUIKWLIR-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111495955 751555386 /nfs/dbraw/zinc/55/53/86/751555386.db2.gz HGUVSRAUIKWLIR-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001029342506 740582006 /nfs/dbraw/zinc/58/20/06/740582006.db2.gz RLDQPOQHCVJWER-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001029342506 740582010 /nfs/dbraw/zinc/58/20/10/740582010.db2.gz RLDQPOQHCVJWER-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001029342506 740582013 /nfs/dbraw/zinc/58/20/13/740582013.db2.gz RLDQPOQHCVJWER-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(=C)C ZINC001029342506 740582015 /nfs/dbraw/zinc/58/20/15/740582015.db2.gz RLDQPOQHCVJWER-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441674 740682588 /nfs/dbraw/zinc/68/25/88/740682588.db2.gz DEXPYXGICUPCQI-LSDHHAIUSA-N 2 2 318.421 1.172 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678570 742070100 /nfs/dbraw/zinc/07/01/00/742070100.db2.gz YLXKGHNSNKNNKI-ILXRZTDVSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678570 742070104 /nfs/dbraw/zinc/07/01/04/742070104.db2.gz YLXKGHNSNKNNKI-ILXRZTDVSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752218 742286881 /nfs/dbraw/zinc/28/68/81/742286881.db2.gz BZQFEQWEOYHHSK-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752218 742286883 /nfs/dbraw/zinc/28/68/83/742286883.db2.gz BZQFEQWEOYHHSK-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001108043414 743113030 /nfs/dbraw/zinc/11/30/30/743113030.db2.gz KGBOLFBNERKJRB-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001108043414 743113033 /nfs/dbraw/zinc/11/30/33/743113033.db2.gz KGBOLFBNERKJRB-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043414 743113037 /nfs/dbraw/zinc/11/30/37/743113037.db2.gz KGBOLFBNERKJRB-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043414 743113039 /nfs/dbraw/zinc/11/30/39/743113039.db2.gz KGBOLFBNERKJRB-SJLPKXTDSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563280 743242572 /nfs/dbraw/zinc/24/25/72/743242572.db2.gz HPCNITROJOUJJC-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563280 743242575 /nfs/dbraw/zinc/24/25/75/743242575.db2.gz HPCNITROJOUJJC-CABCVRRESA-N 2 2 320.437 1.054 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731830 743895335 /nfs/dbraw/zinc/89/53/35/743895335.db2.gz WBERAPBKMGOCBM-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399084 744033994 /nfs/dbraw/zinc/03/39/94/744033994.db2.gz HKYKCYIOPUMZJN-WMLDXEAASA-N 2 2 324.428 1.964 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185215679 744182160 /nfs/dbraw/zinc/18/21/60/744182160.db2.gz NUOMABHQNNCAHE-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992397728 744853079 /nfs/dbraw/zinc/85/30/79/744853079.db2.gz OYDLPLDFGUIVEO-NVXWUHKLSA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992397728 744853082 /nfs/dbraw/zinc/85/30/82/744853082.db2.gz OYDLPLDFGUIVEO-NVXWUHKLSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787414 744981669 /nfs/dbraw/zinc/98/16/69/744981669.db2.gz NUTKLFQYZVLNRU-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787414 744981675 /nfs/dbraw/zinc/98/16/75/744981675.db2.gz NUTKLFQYZVLNRU-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815410 744996141 /nfs/dbraw/zinc/99/61/41/744996141.db2.gz UUIOPROFQSAWDJ-ZBFHGGJFSA-N 2 2 309.454 1.158 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992665419 745093239 /nfs/dbraw/zinc/09/32/39/745093239.db2.gz GFYSRCRBZMBQJH-QLFBSQMISA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992841742 745242662 /nfs/dbraw/zinc/24/26/62/745242662.db2.gz ANCVDRQENPSTKB-MGPQQGTHSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000992850300 745248616 /nfs/dbraw/zinc/24/86/16/745248616.db2.gz FWKIFDBTKWIPKF-DJIMGWMZSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C/C=C/Cl)C1 ZINC001190724971 745306837 /nfs/dbraw/zinc/30/68/37/745306837.db2.gz OIGYCMXLSPENQD-ZRJDUIELSA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001190724971 745306845 /nfs/dbraw/zinc/30/68/45/745306845.db2.gz OIGYCMXLSPENQD-ZRJDUIELSA-N 2 2 309.841 1.369 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191011952 745404930 /nfs/dbraw/zinc/40/49/30/745404930.db2.gz VSGDMOZIEFRAKV-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191011952 745404932 /nfs/dbraw/zinc/40/49/32/745404932.db2.gz VSGDMOZIEFRAKV-NVXWUHKLSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018522 745405565 /nfs/dbraw/zinc/40/55/65/745405565.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018522 745405567 /nfs/dbraw/zinc/40/55/67/745405567.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018522 745405569 /nfs/dbraw/zinc/40/55/69/745405569.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018522 745405571 /nfs/dbraw/zinc/40/55/71/745405571.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633699 745560107 /nfs/dbraw/zinc/56/01/07/745560107.db2.gz STGHBESRPVNPHK-OAHLLOKOSA-N 2 2 306.410 1.009 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633699 745560109 /nfs/dbraw/zinc/56/01/09/745560109.db2.gz STGHBESRPVNPHK-OAHLLOKOSA-N 2 2 306.410 1.009 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342835 745615846 /nfs/dbraw/zinc/61/58/46/745615846.db2.gz FXTVFVXEYMXPRY-VHDGCEQUSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342835 745615847 /nfs/dbraw/zinc/61/58/47/745615847.db2.gz FXTVFVXEYMXPRY-VHDGCEQUSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993605293 746228153 /nfs/dbraw/zinc/22/81/53/746228153.db2.gz DFENEDHFESAEPE-GJZGRUSLSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993605293 746228156 /nfs/dbraw/zinc/22/81/56/746228156.db2.gz DFENEDHFESAEPE-GJZGRUSLSA-N 2 2 316.449 1.917 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310409 746657141 /nfs/dbraw/zinc/65/71/41/746657141.db2.gz LFYFILIJJHPJJA-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310409 746657142 /nfs/dbraw/zinc/65/71/42/746657142.db2.gz LFYFILIJJHPJJA-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089507782 747134324 /nfs/dbraw/zinc/13/43/24/747134324.db2.gz RDPNNOQCSPIHEP-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089507782 747134327 /nfs/dbraw/zinc/13/43/27/747134327.db2.gz RDPNNOQCSPIHEP-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001036082185 752173746 /nfs/dbraw/zinc/17/37/46/752173746.db2.gz GASOQSSWTWAJOR-DZGCQCFKSA-N 2 2 303.406 1.645 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003956164 747801388 /nfs/dbraw/zinc/80/13/88/747801388.db2.gz VBZQKFAQKANAMN-UHFFFAOYSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200954546 748388632 /nfs/dbraw/zinc/38/86/32/748388632.db2.gz CUHNPGZOCNNYFM-AWEZNQCLSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033207239 748921231 /nfs/dbraw/zinc/92/12/31/748921231.db2.gz JYDRYXQGHJSTII-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033207239 748921235 /nfs/dbraw/zinc/92/12/35/748921235.db2.gz JYDRYXQGHJSTII-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210269 748929890 /nfs/dbraw/zinc/92/98/90/748929890.db2.gz FNZVFCYBHOVUCB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033210269 748929893 /nfs/dbraw/zinc/92/98/93/748929893.db2.gz FNZVFCYBHOVUCB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365097 749253594 /nfs/dbraw/zinc/25/35/94/749253594.db2.gz KBMXHXWISLCAFF-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365097 749253595 /nfs/dbraw/zinc/25/35/95/749253595.db2.gz KBMXHXWISLCAFF-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365097 749253596 /nfs/dbraw/zinc/25/35/96/749253596.db2.gz KBMXHXWISLCAFF-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365097 749253597 /nfs/dbraw/zinc/25/35/97/749253597.db2.gz KBMXHXWISLCAFF-IRXDYDNUSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1(C)C ZINC000996693946 749918341 /nfs/dbraw/zinc/91/83/41/749918341.db2.gz LKNFVHVNNPVBNC-CVEARBPZSA-N 2 2 316.449 1.697 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001039397194 761996992 /nfs/dbraw/zinc/99/69/92/761996992.db2.gz XZMWJBLBTPWNNV-OAGGEKHMSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001039397194 761996994 /nfs/dbraw/zinc/99/69/94/761996994.db2.gz XZMWJBLBTPWNNV-OAGGEKHMSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531634 750016254 /nfs/dbraw/zinc/01/62/54/750016254.db2.gz MJKDZTBRGGNCEL-FXUDXRNXSA-N 2 2 312.417 1.505 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531634 750016260 /nfs/dbraw/zinc/01/62/60/750016260.db2.gz MJKDZTBRGGNCEL-FXUDXRNXSA-N 2 2 312.417 1.505 20 30 DDEDLP 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753319284 /nfs/dbraw/zinc/31/92/84/753319284.db2.gz URKFSSZDYILGOP-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001009711005 753319289 /nfs/dbraw/zinc/31/92/89/753319289.db2.gz URKFSSZDYILGOP-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036703006 753499527 /nfs/dbraw/zinc/49/95/27/753499527.db2.gz VIEAYMOJUHEZIC-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036703006 753499531 /nfs/dbraw/zinc/49/95/31/753499531.db2.gz VIEAYMOJUHEZIC-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080038079 755704133 /nfs/dbraw/zinc/70/41/33/755704133.db2.gz ZYUCMSGSFWOHHL-TZMCWYRMSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080038079 755704139 /nfs/dbraw/zinc/70/41/39/755704139.db2.gz ZYUCMSGSFWOHHL-TZMCWYRMSA-N 2 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20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001269812385 842070049 /nfs/dbraw/zinc/07/00/49/842070049.db2.gz DVLVGVBITARMLA-CABCVRRESA-N 2 2 316.449 1.943 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001269867276 842115821 /nfs/dbraw/zinc/11/58/21/842115821.db2.gz XFUHMSYYUYDSCB-UHFFFAOYSA-N 2 2 323.481 1.452 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001284996084 842617460 /nfs/dbraw/zinc/61/74/60/842617460.db2.gz TWNKAHAPYBYEDR-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001284996084 842617465 /nfs/dbraw/zinc/61/74/65/842617465.db2.gz TWNKAHAPYBYEDR-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001271145769 843299525 /nfs/dbraw/zinc/29/95/25/843299525.db2.gz JMUIFJRQJKOWPP-AWEZNQCLSA-N 2 2 300.406 1.808 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001271444818 843599219 /nfs/dbraw/zinc/59/92/19/843599219.db2.gz BFLRANHGCCIFFL-DZGCQCFKSA-N 2 2 320.437 1.290 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271551892 843691383 /nfs/dbraw/zinc/69/13/83/843691383.db2.gz RRVGSYZPLATFDP-CABCVRRESA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996988584 847057668 /nfs/dbraw/zinc/05/76/68/847057668.db2.gz KATXCBWIDGDVEU-CQSZACIVSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[NH2+]CC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001273075918 847872376 /nfs/dbraw/zinc/87/23/76/847872376.db2.gz NAWAWNFPZTUCTA-AWEZNQCLSA-N 2 2 300.406 1.856 20 30 DDEDLP C#CCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273541948 851077479 /nfs/dbraw/zinc/07/74/79/851077479.db2.gz MNQIBGOMZMZBKV-MRXNPFEDSA-N 2 2 314.433 1.515 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273827014 851392787 /nfs/dbraw/zinc/39/27/87/851392787.db2.gz LUGHWVJEZXPUBU-HZPDHXFCSA-N 2 2 304.438 1.450 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001273827014 851392799 /nfs/dbraw/zinc/39/27/99/851392799.db2.gz LUGHWVJEZXPUBU-HZPDHXFCSA-N 2 2 304.438 1.450 20 30 DDEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001274351472 852180466 /nfs/dbraw/zinc/18/04/66/852180466.db2.gz QZYLHFKSEUGHSR-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)CC[N@@H+](C)CCC)cc2C1 ZINC001327696537 862397527 /nfs/dbraw/zinc/39/75/27/862397527.db2.gz TVVNQVJNLXWGEU-UHFFFAOYSA-N 2 2 313.445 1.984 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)CC[N@H+](C)CCC)cc2C1 ZINC001327696537 862397545 /nfs/dbraw/zinc/39/75/45/862397545.db2.gz TVVNQVJNLXWGEU-UHFFFAOYSA-N 2 2 313.445 1.984 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)CCC)cc2C1 ZINC001327696537 862397563 /nfs/dbraw/zinc/39/75/63/862397563.db2.gz TVVNQVJNLXWGEU-UHFFFAOYSA-N 2 2 313.445 1.984 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)CCC)cc2C1 ZINC001327696537 862397579 /nfs/dbraw/zinc/39/75/79/862397579.db2.gz TVVNQVJNLXWGEU-UHFFFAOYSA-N 2 2 313.445 1.984 20 30 DDEDLP C=CCOCC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275231556 852915232 /nfs/dbraw/zinc/91/52/32/852915232.db2.gz DROYWSNOUHYIOS-ZDUSSCGKSA-N 2 2 302.378 1.245 20 30 DDEDLP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275684514 853564595 /nfs/dbraw/zinc/56/45/95/853564595.db2.gz CRFIQHNKVQBWHG-HNNXBMFYSA-N 2 2 316.449 1.543 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001275781007 853738376 /nfs/dbraw/zinc/73/83/76/853738376.db2.gz MBDOKTLEMPJTRB-CABCVRRESA-N 2 2 302.422 1.251 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001327994829 862619518 /nfs/dbraw/zinc/61/95/18/862619518.db2.gz CMKQFTLFRHILJA-ZIAGYGMSSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327994829 862619529 /nfs/dbraw/zinc/61/95/29/862619529.db2.gz CMKQFTLFRHILJA-ZIAGYGMSSA-N 2 2 300.406 1.507 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328255360 862828237 /nfs/dbraw/zinc/82/82/37/862828237.db2.gz HXUYXVYSGICYRH-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001328255360 862828258 /nfs/dbraw/zinc/82/82/58/862828258.db2.gz HXUYXVYSGICYRH-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328255360 862828269 /nfs/dbraw/zinc/82/82/69/862828269.db2.gz HXUYXVYSGICYRH-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001328255360 862828285 /nfs/dbraw/zinc/82/82/85/862828285.db2.gz HXUYXVYSGICYRH-CABCVRRESA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857930 860168596 /nfs/dbraw/zinc/16/85/96/860168596.db2.gz YPAVWTPTTNNYLJ-KGLIPLIRSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC001139229454 860328020 /nfs/dbraw/zinc/32/80/20/860328020.db2.gz YGQRTTSGCQGSJY-UHFFFAOYSA-N 2 2 321.494 1.517 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001153496352 863912876 /nfs/dbraw/zinc/91/28/76/863912876.db2.gz ZTPIDXQHHFUDKM-UHFFFAOYSA-N 2 2 316.792 1.294 20 30 DDEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001329887142 863921779 /nfs/dbraw/zinc/92/17/79/863921779.db2.gz KBSHVLXOKZEQHM-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158256062 864519157 /nfs/dbraw/zinc/51/91/57/864519157.db2.gz CCPBTEIUMCDHNQ-HZPDHXFCSA-N 2 2 314.433 1.273 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744332 864874155 /nfs/dbraw/zinc/87/41/55/864874155.db2.gz ICJSZZWGOGNZOW-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744332 864874170 /nfs/dbraw/zinc/87/41/70/864874170.db2.gz ICJSZZWGOGNZOW-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330600 865782512 /nfs/dbraw/zinc/78/25/12/865782512.db2.gz BUOORLLNRNNVKD-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330600 865782518 /nfs/dbraw/zinc/78/25/18/865782518.db2.gz BUOORLLNRNNVKD-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525122 865911534 /nfs/dbraw/zinc/91/15/34/865911534.db2.gz ZRMYVKVXUNEGHU-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160525122 865911547 /nfs/dbraw/zinc/91/15/47/865911547.db2.gz ZRMYVKVXUNEGHU-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C#CC[N@@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001319880161 866364270 /nfs/dbraw/zinc/36/42/70/866364270.db2.gz IGFHQHLOQQWHDR-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CC[N@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001319880161 866364283 /nfs/dbraw/zinc/36/42/83/866364283.db2.gz IGFHQHLOQQWHDR-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439619 866668147 /nfs/dbraw/zinc/66/81/47/866668147.db2.gz PAPUCDJFRGVXAV-OAHLLOKOSA-N 2 2 314.433 1.750 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439619 866668156 /nfs/dbraw/zinc/66/81/56/866668156.db2.gz PAPUCDJFRGVXAV-OAHLLOKOSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC#C)CC1 ZINC001324420329 867270308 /nfs/dbraw/zinc/27/03/08/867270308.db2.gz QJFFQNOBXUISPV-IAGOWNOFSA-N 2 2 324.428 1.083 20 30 DDEDLP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001322539362 868231191 /nfs/dbraw/zinc/23/11/91/868231191.db2.gz DUTVKRSCCMOILP-UHFFFAOYSA-N 2 2 324.428 1.832 20 30 DDEDLP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001322539362 868231209 /nfs/dbraw/zinc/23/12/09/868231209.db2.gz DUTVKRSCCMOILP-UHFFFAOYSA-N 2 2 324.428 1.832 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317001826 870107268 /nfs/dbraw/zinc/10/72/68/870107268.db2.gz MZNZUPVWCSFNRA-HIFRSBDPSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317001826 870107273 /nfs/dbraw/zinc/10/72/73/870107273.db2.gz MZNZUPVWCSFNRA-HIFRSBDPSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001317428514 870817322 /nfs/dbraw/zinc/81/73/22/870817322.db2.gz WFGWTLUAPARBGI-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001317428514 870817338 /nfs/dbraw/zinc/81/73/38/870817338.db2.gz WFGWTLUAPARBGI-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001206587532 872455691 /nfs/dbraw/zinc/45/56/91/872455691.db2.gz LCGPKSWXMNKEBT-UHFFFAOYSA-N 2 2 324.428 1.647 20 30 DDEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001319516317 872671302 /nfs/dbraw/zinc/67/13/02/872671302.db2.gz WUHLMFJZADJPSS-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001319516317 872671308 /nfs/dbraw/zinc/67/13/08/872671308.db2.gz WUHLMFJZADJPSS-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206956144 872844380 /nfs/dbraw/zinc/84/43/80/872844380.db2.gz XFGWCNJQEXQVLJ-QGZVFWFLSA-N 2 2 316.449 1.699 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761663 873542220 /nfs/dbraw/zinc/54/22/20/873542220.db2.gz MMJBXGPVDJZXSA-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207761663 873542225 /nfs/dbraw/zinc/54/22/25/873542225.db2.gz MMJBXGPVDJZXSA-BFYDXBDKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450642 874153768 /nfs/dbraw/zinc/15/37/68/874153768.db2.gz JBQOWXYFHPMWAZ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567637 874976488 /nfs/dbraw/zinc/97/64/88/874976488.db2.gz GVSXLTOZSHCWJG-KGLIPLIRSA-N 2 2 300.406 1.434 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001378496590 874988126 /nfs/dbraw/zinc/98/81/26/874988126.db2.gz MDYNPUAQBKJMAB-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866108 875150065 /nfs/dbraw/zinc/15/00/65/875150065.db2.gz NZSZAYZZDLBRFK-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499994 875955785 /nfs/dbraw/zinc/95/57/85/875955785.db2.gz ITHVESRVCZBBBK-RRFJBIMHSA-N 2 2 306.410 1.226 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213499994 875955788 /nfs/dbraw/zinc/95/57/88/875955788.db2.gz ITHVESRVCZBBBK-RRFJBIMHSA-N 2 2 306.410 1.226 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214947876 876516554 /nfs/dbraw/zinc/51/65/54/876516554.db2.gz HDAIUXZLAOKMPN-UKRRQHHQSA-N 2 2 302.422 1.386 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216182032 876885245 /nfs/dbraw/zinc/88/52/45/876885245.db2.gz NSTQDSKQDVBXMV-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[NH+]1CCN(c2nnc(C)n2CCC[NH+](CC)CC)CC1 ZINC001300686284 878140270 /nfs/dbraw/zinc/14/02/70/878140270.db2.gz ZMMXUGYQRCRBRY-UHFFFAOYSA-N 2 2 318.469 1.074 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001354934018 878324310 /nfs/dbraw/zinc/32/43/10/878324310.db2.gz NMFDJWLILFJWDQ-CQSZACIVSA-N 2 2 301.394 1.367 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001354934018 878324325 /nfs/dbraw/zinc/32/43/25/878324325.db2.gz NMFDJWLILFJWDQ-CQSZACIVSA-N 2 2 301.394 1.367 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001276810035 878666368 /nfs/dbraw/zinc/66/63/68/878666368.db2.gz AVQDGCRPIUVZGV-ZBFHGGJFSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510813 879897158 /nfs/dbraw/zinc/89/71/58/879897158.db2.gz HDVLOUGWSWXZMJ-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510813 879897180 /nfs/dbraw/zinc/89/71/80/879897180.db2.gz HDVLOUGWSWXZMJ-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572066 881009297 /nfs/dbraw/zinc/00/92/97/881009297.db2.gz CUALXCTURUEQMB-ZBFHGGJFSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572066 881009312 /nfs/dbraw/zinc/00/93/12/881009312.db2.gz CUALXCTURUEQMB-ZBFHGGJFSA-N 2 2 318.421 1.078 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001414053713 881212695 /nfs/dbraw/zinc/21/26/95/881212695.db2.gz CUPUVFBJZBUKHA-AWEZNQCLSA-N 2 2 317.437 1.608 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435499 887970003 /nfs/dbraw/zinc/97/00/03/887970003.db2.gz ITPSFNAGKXZDDB-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435499 887970013 /nfs/dbraw/zinc/97/00/13/887970013.db2.gz ITPSFNAGKXZDDB-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCOC1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246143713 892438825 /nfs/dbraw/zinc/43/88/25/892438825.db2.gz LDJOPGFRXGTELB-AQFXKWCLSA-N 3 2 307.482 1.964 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278519511 894047790 /nfs/dbraw/zinc/04/77/90/894047790.db2.gz RJCMSGIHFABIRN-YOEHRIQHSA-N 2 2 302.422 1.460 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254653994 896549148 /nfs/dbraw/zinc/54/91/48/896549148.db2.gz QZASPMBLHRMVLU-SYQHCUMBSA-N 2 2 308.426 1.605 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001367379164 896607388 /nfs/dbraw/zinc/60/73/88/896607388.db2.gz LESQYTJNBOZCTG-YNEHKIRRSA-N 2 2 310.829 1.713 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001278973588 897622211 /nfs/dbraw/zinc/62/22/11/897622211.db2.gz VSZPGDFYPWKACX-MRXNPFEDSA-N 2 2 317.433 1.777 20 30 DDEDLP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001265335790 901898236 /nfs/dbraw/zinc/89/82/36/901898236.db2.gz HLRPHYBTFYPQIU-HNNXBMFYSA-N 2 2 318.421 1.056 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001280593451 903819244 /nfs/dbraw/zinc/81/92/44/903819244.db2.gz BORWTDOEHYVNGP-OAHLLOKOSA-N 2 2 319.405 1.026 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283204696 906880696 /nfs/dbraw/zinc/88/06/96/906880696.db2.gz USQHQFORQNLQOF-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283784856 907957470 /nfs/dbraw/zinc/95/74/70/907957470.db2.gz PZWMSZZSWFPEKB-HNNXBMFYSA-N 2 2 305.422 1.653 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284025367 908335040 /nfs/dbraw/zinc/33/50/40/908335040.db2.gz JINXTEZZHQXVRA-LSDHHAIUSA-N 2 2 320.437 1.134 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000181265631 199273056 /nfs/dbraw/zinc/27/30/56/199273056.db2.gz QYLJEMBQTGJJHF-UHFFFAOYSA-N 2 2 315.421 1.175 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000584847209 354782933 /nfs/dbraw/zinc/78/29/33/354782933.db2.gz HXWTVPXGPPXNGY-OAHLLOKOSA-N 2 2 302.422 1.251 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000584847209 354782936 /nfs/dbraw/zinc/78/29/36/354782936.db2.gz HXWTVPXGPPXNGY-OAHLLOKOSA-N 2 2 302.422 1.251 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595867568 356685072 /nfs/dbraw/zinc/68/50/72/356685072.db2.gz OSQUSAYZSDPPTF-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595867568 356685074 /nfs/dbraw/zinc/68/50/74/356685074.db2.gz OSQUSAYZSDPPTF-QGZVFWFLSA-N 2 2 315.417 1.468 20 30 DDEDLP N#CC1(C[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCOCC1 ZINC000599340211 357900895 /nfs/dbraw/zinc/90/08/95/357900895.db2.gz CSSFSUCOGKQXPS-HNNXBMFYSA-N 2 2 318.421 1.660 20 30 DDEDLP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000599656473 358010722 /nfs/dbraw/zinc/01/07/22/358010722.db2.gz VTGRBYTZVRFDHA-FXUDXRNXSA-N 2 2 309.454 1.519 20 30 DDEDLP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000599656473 358010725 /nfs/dbraw/zinc/01/07/25/358010725.db2.gz VTGRBYTZVRFDHA-FXUDXRNXSA-N 2 2 309.454 1.519 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257581 360276879 /nfs/dbraw/zinc/27/68/79/360276879.db2.gz AFMQULXBOPKWDH-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257581 360276884 /nfs/dbraw/zinc/27/68/84/360276884.db2.gz AFMQULXBOPKWDH-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000330143648 223079924 /nfs/dbraw/zinc/07/99/24/223079924.db2.gz ZAXJFYVCVAFUKW-KBPBESRZSA-N 2 2 305.426 1.558 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330249754 223094490 /nfs/dbraw/zinc/09/44/90/223094490.db2.gz GTSJDPOJEJBACZ-HNNXBMFYSA-N 2 2 319.453 1.776 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330445778 223116265 /nfs/dbraw/zinc/11/62/65/223116265.db2.gz RCJISKFLYFRVHA-HNNXBMFYSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000330445778 223116268 /nfs/dbraw/zinc/11/62/68/223116268.db2.gz RCJISKFLYFRVHA-HNNXBMFYSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330445778 223116270 /nfs/dbraw/zinc/11/62/70/223116270.db2.gz RCJISKFLYFRVHA-HNNXBMFYSA-N 2 2 307.442 1.768 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@H+](C)C[C@H]1C(C)C ZINC000330445778 223116273 /nfs/dbraw/zinc/11/62/73/223116273.db2.gz RCJISKFLYFRVHA-HNNXBMFYSA-N 2 2 307.442 1.768 20 30 DDEDLP C=C[C@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000619702421 364120913 /nfs/dbraw/zinc/12/09/13/364120913.db2.gz MIBRVMVPPAOPPW-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CCOc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093412899 193246156 /nfs/dbraw/zinc/24/61/56/193246156.db2.gz XOIWVUYEVARGSG-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP C#CCOc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093412899 193246158 /nfs/dbraw/zinc/24/61/58/193246158.db2.gz XOIWVUYEVARGSG-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000264736013 204113362 /nfs/dbraw/zinc/11/33/62/204113362.db2.gz QSCFPTVBFSMEME-UHFFFAOYSA-N 2 2 310.401 1.604 20 30 DDEDLP C[NH+]1CCC(CNc2nccc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000566626992 304172798 /nfs/dbraw/zinc/17/27/98/304172798.db2.gz BGMBZRLOUPVHJY-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123799994 407338740 /nfs/dbraw/zinc/33/87/40/407338740.db2.gz UODNMGDFCXFGSW-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123799994 407338742 /nfs/dbraw/zinc/33/87/42/407338742.db2.gz UODNMGDFCXFGSW-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799994 407338744 /nfs/dbraw/zinc/33/87/44/407338744.db2.gz UODNMGDFCXFGSW-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799994 407338745 /nfs/dbraw/zinc/33/87/45/407338745.db2.gz UODNMGDFCXFGSW-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000124252889 407352742 /nfs/dbraw/zinc/35/27/42/407352742.db2.gz LUXHDCDPBKJBOQ-AWEZNQCLSA-N 2 2 313.405 1.406 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124429045 407358509 /nfs/dbraw/zinc/35/85/09/407358509.db2.gz MBFKJADXFIBIEI-HNNXBMFYSA-N 2 2 317.437 1.936 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124429045 407358510 /nfs/dbraw/zinc/35/85/10/407358510.db2.gz MBFKJADXFIBIEI-HNNXBMFYSA-N 2 2 317.437 1.936 20 30 DDEDLP CC#CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000136053569 408074031 /nfs/dbraw/zinc/07/40/31/408074031.db2.gz QJDRVUNISXADSL-UHFFFAOYSA-N 2 2 306.454 1.259 20 30 DDEDLP C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190628960 408292201 /nfs/dbraw/zinc/29/22/01/408292201.db2.gz BYVSBAHVCYWRPJ-QGZVFWFLSA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]=C(NCc1ccoc1)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176317026 408337191 /nfs/dbraw/zinc/33/71/91/408337191.db2.gz DXFVPIKYTZXJJI-KBPBESRZSA-N 2 2 322.453 1.832 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774944 408360650 /nfs/dbraw/zinc/36/06/50/408360650.db2.gz GMUIGGUVBZQOMF-CVEARBPZSA-N 2 2 317.437 1.058 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774944 408360657 /nfs/dbraw/zinc/36/06/57/408360657.db2.gz GMUIGGUVBZQOMF-CVEARBPZSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774944 408360663 /nfs/dbraw/zinc/36/06/63/408360663.db2.gz GMUIGGUVBZQOMF-CVEARBPZSA-N 2 2 317.437 1.058 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 ZINC000158774944 408360667 /nfs/dbraw/zinc/36/06/67/408360667.db2.gz GMUIGGUVBZQOMF-CVEARBPZSA-N 2 2 317.437 1.058 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000264338787 408453382 /nfs/dbraw/zinc/45/33/82/408453382.db2.gz HWTZVPCVDJOMJB-UHFFFAOYSA-N 2 2 317.437 1.669 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000176637433 408409651 /nfs/dbraw/zinc/40/96/51/408409651.db2.gz HCCZWMYRXFLGFT-UHFFFAOYSA-N 2 2 316.405 1.404 20 30 DDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000293809795 409185547 /nfs/dbraw/zinc/18/55/47/409185547.db2.gz ODILNNXBIBDZSD-INIZCTEOSA-N 2 2 324.428 1.949 20 30 DDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000293809795 409185551 /nfs/dbraw/zinc/18/55/51/409185551.db2.gz ODILNNXBIBDZSD-INIZCTEOSA-N 2 2 324.428 1.949 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000294105815 409240671 /nfs/dbraw/zinc/24/06/71/409240671.db2.gz YRZFPDKEVGIGPQ-UHFFFAOYSA-N 2 2 312.417 1.670 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000294105815 409240673 /nfs/dbraw/zinc/24/06/73/409240673.db2.gz YRZFPDKEVGIGPQ-UHFFFAOYSA-N 2 2 312.417 1.670 20 30 DDEDLP CC(C)CCNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304775731 409646400 /nfs/dbraw/zinc/64/64/00/409646400.db2.gz COTJQXLJYUPJNS-UHFFFAOYSA-N 3 2 323.529 1.887 20 30 DDEDLP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000328764183 409971540 /nfs/dbraw/zinc/97/15/40/409971540.db2.gz GEYYKOXLSNAOCO-ZDUSSCGKSA-N 2 2 305.426 1.312 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000330280636 410611897 /nfs/dbraw/zinc/61/18/97/410611897.db2.gz SSNKZOYIRAEFJX-HUUCEWRRSA-N 2 2 317.437 1.672 20 30 DDEDLP C=C[C@](C)(CCOC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000352983892 410715924 /nfs/dbraw/zinc/71/59/24/410715924.db2.gz FSIKBUVFVSHTLJ-QGZVFWFLSA-N 2 2 311.470 1.357 20 30 DDEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CCCC1 ZINC000261888439 222261233 /nfs/dbraw/zinc/26/12/33/222261233.db2.gz SMTFGIXISSWXTO-HNNXBMFYSA-N 2 2 312.483 1.041 20 30 DDEDLP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261944836 222262396 /nfs/dbraw/zinc/26/23/96/222262396.db2.gz FMDGRJZXKDUEKR-ILXRZTDVSA-N 3 2 306.458 1.292 20 30 DDEDLP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000262720842 222291205 /nfs/dbraw/zinc/29/12/05/222291205.db2.gz VHYHYBQBIREXRV-KRWDZBQOSA-N 2 2 314.433 1.765 20 30 DDEDLP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000262720842 222291210 /nfs/dbraw/zinc/29/12/10/222291210.db2.gz VHYHYBQBIREXRV-KRWDZBQOSA-N 2 2 314.433 1.765 20 30 DDEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C[C@@H](C)O1 ZINC000263278403 222307692 /nfs/dbraw/zinc/30/76/92/222307692.db2.gz ZFOGDVBFYDNDQR-CHWSQXEVSA-N 2 2 314.499 1.238 20 30 DDEDLP COc1ccc(CCNC(=[NH2+])NCCCn2cc[nH+]c2)cc1 ZINC000264063446 222311515 /nfs/dbraw/zinc/31/15/15/222311515.db2.gz DHHWAVMSCPYULA-UHFFFAOYSA-N 2 2 301.394 1.429 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264072036 222312178 /nfs/dbraw/zinc/31/21/78/222312178.db2.gz GGQLFUYVJWOWCD-CQSZACIVSA-N 2 2 322.453 1.963 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368114853 418691684 /nfs/dbraw/zinc/69/16/84/418691684.db2.gz JYLFUVYJIAHKMV-KRWDZBQOSA-N 2 2 309.429 1.366 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370130561 418741575 /nfs/dbraw/zinc/74/15/75/418741575.db2.gz HPYRHSYFQCHEPB-QGZVFWFLSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370130561 418741577 /nfs/dbraw/zinc/74/15/77/418741577.db2.gz HPYRHSYFQCHEPB-QGZVFWFLSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363217692 418763561 /nfs/dbraw/zinc/76/35/61/418763561.db2.gz AUHKGBWDIUZSCO-QGZVFWFLSA-N 2 2 322.497 1.123 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217692 418763562 /nfs/dbraw/zinc/76/35/62/418763562.db2.gz AUHKGBWDIUZSCO-QGZVFWFLSA-N 2 2 322.497 1.123 20 30 DDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144249 418929485 /nfs/dbraw/zinc/92/94/85/418929485.db2.gz ZNABDMVWZBBKGU-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144249 418929486 /nfs/dbraw/zinc/92/94/86/418929486.db2.gz ZNABDMVWZBBKGU-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144249 418929487 /nfs/dbraw/zinc/92/94/87/418929487.db2.gz ZNABDMVWZBBKGU-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373144249 418929488 /nfs/dbraw/zinc/92/94/88/418929488.db2.gz ZNABDMVWZBBKGU-DOTOQJQBSA-N 2 2 312.417 1.913 20 30 DDEDLP N#CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000495964048 421105664 /nfs/dbraw/zinc/10/56/64/421105664.db2.gz WKOAPDNEHIYXCF-QGZVFWFLSA-N 2 2 318.421 1.486 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000527297864 421375467 /nfs/dbraw/zinc/37/54/67/421375467.db2.gz AAYRIJADYJOLDB-QWHCGFSZSA-N 2 2 301.394 1.540 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000527297864 421375469 /nfs/dbraw/zinc/37/54/69/421375469.db2.gz AAYRIJADYJOLDB-QWHCGFSZSA-N 2 2 301.394 1.540 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935058 422222299 /nfs/dbraw/zinc/22/22/99/422222299.db2.gz MQTHLUBFHFHRGW-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935058 422222302 /nfs/dbraw/zinc/22/23/02/422222302.db2.gz MQTHLUBFHFHRGW-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935058 422222305 /nfs/dbraw/zinc/22/23/05/422222305.db2.gz MQTHLUBFHFHRGW-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935058 422222310 /nfs/dbraw/zinc/22/23/10/422222310.db2.gz MQTHLUBFHFHRGW-GOEBONIOSA-N 2 2 310.405 1.517 20 30 DDEDLP C=C[C@](C)(O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194360 422318565 /nfs/dbraw/zinc/31/85/65/422318565.db2.gz VQRKIMUDQKUUTB-INIZCTEOSA-N 2 2 304.394 1.099 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601125493 422419794 /nfs/dbraw/zinc/41/97/94/422419794.db2.gz NLEMWIKQZBMCOQ-UHFFFAOYSA-N 2 2 314.437 1.664 20 30 DDEDLP C[C@@H]1[NH+](CC#CC[N@@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889686 279024991 /nfs/dbraw/zinc/02/49/91/279024991.db2.gz KZQAMDCKKBRIRA-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1[NH+](CC#CC[N@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000341889686 279024992 /nfs/dbraw/zinc/02/49/92/279024992.db2.gz KZQAMDCKKBRIRA-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332002678 280102730 /nfs/dbraw/zinc/10/27/30/280102730.db2.gz ORKSLKOAWMCIRS-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332002678 280102733 /nfs/dbraw/zinc/10/27/33/280102733.db2.gz ORKSLKOAWMCIRS-HLLBOEOZSA-N 2 2 308.470 1.845 20 30 DDEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000131447336 341089001 /nfs/dbraw/zinc/08/90/01/341089001.db2.gz NYIJPPRLKQNSHP-QGZVFWFLSA-N 2 2 305.422 1.771 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000490852026 526950386 /nfs/dbraw/zinc/95/03/86/526950386.db2.gz JWBVZLYZQYIAOX-UHFFFAOYSA-N 2 2 311.429 1.433 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)CC1 ZINC000491639885 526950656 /nfs/dbraw/zinc/95/06/56/526950656.db2.gz ZASSWINGVBIPHE-CYBMUJFWSA-N 2 2 319.371 1.330 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747985 695725216 /nfs/dbraw/zinc/72/52/16/695725216.db2.gz CLLZUTNQOVQHJD-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974747985 695725218 /nfs/dbraw/zinc/72/52/18/695725218.db2.gz CLLZUTNQOVQHJD-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975044126 695784238 /nfs/dbraw/zinc/78/42/38/695784238.db2.gz XRHMQGXYIFIXHR-HNNXBMFYSA-N 2 2 305.466 1.568 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975044126 695784240 /nfs/dbraw/zinc/78/42/40/695784240.db2.gz XRHMQGXYIFIXHR-HNNXBMFYSA-N 2 2 305.466 1.568 20 30 DDEDLP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975044126 695784243 /nfs/dbraw/zinc/78/42/43/695784243.db2.gz XRHMQGXYIFIXHR-HNNXBMFYSA-N 2 2 305.466 1.568 20 30 DDEDLP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975044126 695784244 /nfs/dbraw/zinc/78/42/44/695784244.db2.gz XRHMQGXYIFIXHR-HNNXBMFYSA-N 2 2 305.466 1.568 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000104160730 696619072 /nfs/dbraw/zinc/61/90/72/696619072.db2.gz VJUZODAUZCBAHQ-HZPDHXFCSA-N 2 2 309.502 1.305 20 30 DDEDLP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160119846 697315098 /nfs/dbraw/zinc/31/50/98/697315098.db2.gz JYGCCTMYRACAHL-JKSUJKDBSA-N 3 2 320.485 1.682 20 30 DDEDLP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160119846 697315101 /nfs/dbraw/zinc/31/51/01/697315101.db2.gz JYGCCTMYRACAHL-JKSUJKDBSA-N 3 2 320.485 1.682 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500959 697520757 /nfs/dbraw/zinc/52/07/57/697520757.db2.gz QIBUKMUKVCFDAU-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500959 697520760 /nfs/dbraw/zinc/52/07/60/697520760.db2.gz QIBUKMUKVCFDAU-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000989040312 698523878 /nfs/dbraw/zinc/52/38/78/698523878.db2.gz HHHIYRVSWXBIFI-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP CCCCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303783837 698606905 /nfs/dbraw/zinc/60/69/05/698606905.db2.gz ONKVMGYQGYLWCJ-MRXNPFEDSA-N 2 2 311.518 1.743 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989826743 698783975 /nfs/dbraw/zinc/78/39/75/698783975.db2.gz SMSNLSRTHCFAIE-ZFWWWQNUSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989826743 698783980 /nfs/dbraw/zinc/78/39/80/698783980.db2.gz SMSNLSRTHCFAIE-ZFWWWQNUSA-N 2 2 319.474 1.871 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000729336923 699476849 /nfs/dbraw/zinc/47/68/49/699476849.db2.gz BCFYYABRWHGVQW-MRXNPFEDSA-N 2 2 316.449 1.759 20 30 DDEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866260272 706660332 /nfs/dbraw/zinc/66/03/32/706660332.db2.gz KDPMZKZPHZMQRI-KBPBESRZSA-N 2 2 302.422 1.550 20 30 DDEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)CN1CC[NH+](C)CC1 ZINC000866260584 706660520 /nfs/dbraw/zinc/66/05/20/706660520.db2.gz VPJHJPWKVBESKK-HUUCEWRRSA-N 2 2 316.449 1.798 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000819067091 704064462 /nfs/dbraw/zinc/06/44/62/704064462.db2.gz JXCHYJLDCNUIJI-IAGOWNOFSA-N 2 2 317.433 1.912 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000819067091 704064464 /nfs/dbraw/zinc/06/44/64/704064464.db2.gz JXCHYJLDCNUIJI-IAGOWNOFSA-N 2 2 317.433 1.912 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870995072 704195735 /nfs/dbraw/zinc/19/57/35/704195735.db2.gz CGAUPJATJJAHEY-UHFFFAOYSA-N 2 2 320.462 1.369 20 30 DDEDLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)Cn1cc[nH+]c1 ZINC000876731087 705844622 /nfs/dbraw/zinc/84/46/22/705844622.db2.gz NLMYKWNRFCXZDE-GUYCJALGSA-N 2 2 323.400 1.394 20 30 DDEDLP C[NH+](C)CCCNC(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834956657 707152322 /nfs/dbraw/zinc/15/23/22/707152322.db2.gz BPQWSOHWYTYNSS-UHFFFAOYSA-N 2 2 320.466 1.120 20 30 DDEDLP Cn1nccc1CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000871735302 707181291 /nfs/dbraw/zinc/18/12/91/707181291.db2.gz ONFGLDOJKVIPTK-UHFFFAOYSA-N 2 2 301.394 1.361 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000883131251 707935374 /nfs/dbraw/zinc/93/53/74/707935374.db2.gz RJGYTEKGFIBRPB-UHFFFAOYSA-N 2 2 311.433 1.929 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000883131251 707935377 /nfs/dbraw/zinc/93/53/77/707935377.db2.gz RJGYTEKGFIBRPB-UHFFFAOYSA-N 2 2 311.433 1.929 20 30 DDEDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000883161675 707944307 /nfs/dbraw/zinc/94/43/07/707944307.db2.gz YBSOWSFZHAPOAJ-INIZCTEOSA-N 2 2 305.422 1.749 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@]23CCOC3)cc1 ZINC000902281476 710695019 /nfs/dbraw/zinc/69/50/19/710695019.db2.gz KEFJHBASNXRBII-RDJZCZTQSA-N 2 2 303.406 1.812 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000913523612 713245745 /nfs/dbraw/zinc/24/57/45/713245745.db2.gz GPZKPKUDIGNKRJ-NSHDSACASA-N 2 2 302.300 1.058 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@H]1C ZINC000923424345 714351770 /nfs/dbraw/zinc/35/17/70/714351770.db2.gz QZDKPSOADFKWEK-YALNPMBYSA-N 2 2 317.433 1.746 20 30 DDEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@H]1C ZINC000923424345 714351772 /nfs/dbraw/zinc/35/17/72/714351772.db2.gz QZDKPSOADFKWEK-YALNPMBYSA-N 2 2 317.433 1.746 20 30 DDEDLP C=CC[C@H]1CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934471209 714828527 /nfs/dbraw/zinc/82/85/27/714828527.db2.gz SSTVTOSGWZGZLS-INIZCTEOSA-N 2 2 314.433 1.771 20 30 DDEDLP C=CC[C@H]1CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934471209 714828528 /nfs/dbraw/zinc/82/85/28/714828528.db2.gz SSTVTOSGWZGZLS-INIZCTEOSA-N 2 2 314.433 1.771 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960643174 716642919 /nfs/dbraw/zinc/64/29/19/716642919.db2.gz AXHYIVROPMBIRV-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960643174 716642923 /nfs/dbraw/zinc/64/29/23/716642923.db2.gz AXHYIVROPMBIRV-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960647195 716645235 /nfs/dbraw/zinc/64/52/35/716645235.db2.gz KOLDVYZIJWMEFA-FOCJUVANSA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960647195 716645238 /nfs/dbraw/zinc/64/52/38/716645238.db2.gz KOLDVYZIJWMEFA-FOCJUVANSA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960647195 716645240 /nfs/dbraw/zinc/64/52/40/716645240.db2.gz KOLDVYZIJWMEFA-FOCJUVANSA-N 2 2 300.406 1.055 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960647195 716645244 /nfs/dbraw/zinc/64/52/44/716645244.db2.gz KOLDVYZIJWMEFA-FOCJUVANSA-N 2 2 300.406 1.055 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267104 716888178 /nfs/dbraw/zinc/88/81/78/716888178.db2.gz XLHGGUMUVYELPH-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267104 716888182 /nfs/dbraw/zinc/88/81/82/716888182.db2.gz XLHGGUMUVYELPH-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279031 716893036 /nfs/dbraw/zinc/89/30/36/716893036.db2.gz ZVMRCGRHWKOEHU-JKSUJKDBSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000961279031 716893044 /nfs/dbraw/zinc/89/30/44/716893044.db2.gz ZVMRCGRHWKOEHU-JKSUJKDBSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940811574 716970710 /nfs/dbraw/zinc/97/07/10/716970710.db2.gz NKJYXRXTCJDMGQ-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000940811574 716970712 /nfs/dbraw/zinc/97/07/12/716970712.db2.gz NKJYXRXTCJDMGQ-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940811574 716970714 /nfs/dbraw/zinc/97/07/14/716970714.db2.gz NKJYXRXTCJDMGQ-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000940811574 716970716 /nfs/dbraw/zinc/97/07/16/716970716.db2.gz NKJYXRXTCJDMGQ-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850719 716992183 /nfs/dbraw/zinc/99/21/83/716992183.db2.gz MBLNRGUGPXOUHL-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850719 716992186 /nfs/dbraw/zinc/99/21/86/716992186.db2.gz MBLNRGUGPXOUHL-HOCLYGCPSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179856 717529449 /nfs/dbraw/zinc/52/94/49/717529449.db2.gz CPNHVKPAWXWDTP-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942179856 717529454 /nfs/dbraw/zinc/52/94/54/717529454.db2.gz CPNHVKPAWXWDTP-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179854 717529775 /nfs/dbraw/zinc/52/97/75/717529775.db2.gz CPNHVKPAWXWDTP-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942179854 717529777 /nfs/dbraw/zinc/52/97/77/717529777.db2.gz CPNHVKPAWXWDTP-GDBMZVCRSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908099 718706616 /nfs/dbraw/zinc/70/66/16/718706616.db2.gz KJWVPZFBVYXZAY-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908099 718706618 /nfs/dbraw/zinc/70/66/18/718706618.db2.gz KJWVPZFBVYXZAY-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093531 718763216 /nfs/dbraw/zinc/76/32/16/718763216.db2.gz ZRLUJUIBTXCIJS-XJKSGUPXSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967093531 718763217 /nfs/dbraw/zinc/76/32/17/718763217.db2.gz ZRLUJUIBTXCIJS-XJKSGUPXSA-N 2 2 318.421 1.200 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946797517 718911607 /nfs/dbraw/zinc/91/16/07/718911607.db2.gz FVLPKUUSAJDMGT-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946797517 718911609 /nfs/dbraw/zinc/91/16/09/718911609.db2.gz FVLPKUUSAJDMGT-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473841 719177587 /nfs/dbraw/zinc/17/75/87/719177587.db2.gz OQJJDUISGXHYCT-QWHCGFSZSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473841 719177588 /nfs/dbraw/zinc/17/75/88/719177588.db2.gz OQJJDUISGXHYCT-QWHCGFSZSA-N 2 2 306.410 1.505 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970002372 720594196 /nfs/dbraw/zinc/59/41/96/720594196.db2.gz WGJPLJAJGPITFX-JSGCOSHPSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970002372 720594199 /nfs/dbraw/zinc/59/41/99/720594199.db2.gz WGJPLJAJGPITFX-JSGCOSHPSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CC[NH+]1CCN(c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001165032568 721868734 /nfs/dbraw/zinc/86/87/34/721868734.db2.gz YTJURUASLYRXDH-UHFFFAOYSA-N 2 2 301.438 1.141 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027570723 738417995 /nfs/dbraw/zinc/41/79/95/738417995.db2.gz BCJXWPHDZSDUOG-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027570723 738417997 /nfs/dbraw/zinc/41/79/97/738417997.db2.gz BCJXWPHDZSDUOG-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027666579 738527282 /nfs/dbraw/zinc/52/72/82/738527282.db2.gz HCIQAJBPPIAIOA-MRXNPFEDSA-N 2 2 304.438 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C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996268441 749464858 /nfs/dbraw/zinc/46/48/58/749464858.db2.gz BZHSMEXWAYLNDO-GXTWGEPZSA-N 2 2 302.422 1.842 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033882730 750049943 /nfs/dbraw/zinc/04/99/43/750049943.db2.gz GWTMEFCBPDZDAS-INIZCTEOSA-N 2 2 310.401 1.894 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033882730 750049952 /nfs/dbraw/zinc/04/99/52/750049952.db2.gz GWTMEFCBPDZDAS-INIZCTEOSA-N 2 2 310.401 1.894 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639679 750102715 /nfs/dbraw/zinc/10/27/15/750102715.db2.gz NJQSCDVNJLPMKX-VDERGJSUSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639679 750102718 /nfs/dbraw/zinc/10/27/18/750102718.db2.gz NJQSCDVNJLPMKX-VDERGJSUSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039439699 762035372 /nfs/dbraw/zinc/03/53/72/762035372.db2.gz DLBAQCXMUDYWMU-QKPAOTATSA-N 2 2 314.433 1.775 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039439699 762035380 /nfs/dbraw/zinc/03/53/80/762035380.db2.gz DLBAQCXMUDYWMU-QKPAOTATSA-N 2 2 314.433 1.775 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997311455 750771214 /nfs/dbraw/zinc/77/12/14/750771214.db2.gz RNIZJWAIYRLUMC-FVQBIDKESA-N 2 2 314.433 1.374 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997345773 750781420 /nfs/dbraw/zinc/78/14/20/750781420.db2.gz QIRDNKCRCPENPE-QGZVFWFLSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001034777249 750854105 /nfs/dbraw/zinc/85/41/05/750854105.db2.gz QEGHRJQRCJUWAQ-SHTZXODSSA-N 2 2 323.400 1.531 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032443671 750855838 /nfs/dbraw/zinc/85/58/38/750855838.db2.gz AWFVVIBDNGFSIO-YESZJQIVSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032443671 750855850 /nfs/dbraw/zinc/85/58/50/750855850.db2.gz AWFVVIBDNGFSIO-YESZJQIVSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443671 750855855 /nfs/dbraw/zinc/85/58/55/750855855.db2.gz AWFVVIBDNGFSIO-YESZJQIVSA-N 2 2 319.449 1.101 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443671 750855861 /nfs/dbraw/zinc/85/58/61/750855861.db2.gz AWFVVIBDNGFSIO-YESZJQIVSA-N 2 2 319.449 1.101 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1OC ZINC001212420160 752770372 /nfs/dbraw/zinc/77/03/72/752770372.db2.gz ZIQFGOSWTXQGKW-IXDOHACOSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@H]1OC ZINC001212420160 752770378 /nfs/dbraw/zinc/77/03/78/752770378.db2.gz ZIQFGOSWTXQGKW-IXDOHACOSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1OC ZINC001212420160 752770380 /nfs/dbraw/zinc/77/03/80/752770380.db2.gz ZIQFGOSWTXQGKW-IXDOHACOSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1OC ZINC001212420160 752770385 /nfs/dbraw/zinc/77/03/85/752770385.db2.gz ZIQFGOSWTXQGKW-IXDOHACOSA-N 2 2 321.465 1.090 20 30 DDEDLP N#CCc1ccc(C(F)(F)F)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075768 762223765 /nfs/dbraw/zinc/22/37/65/762223765.db2.gz XEVRPWSMTNJEBZ-GFCCVEGCSA-N 2 2 324.306 1.819 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761142 754381549 /nfs/dbraw/zinc/38/15/49/754381549.db2.gz GSFBRXHFTUCLIT-VXGBXAGGSA-N 2 2 308.813 1.722 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078795783 754387048 /nfs/dbraw/zinc/38/70/48/754387048.db2.gz UHWVWJOLUZPMRL-CABCVRRESA-N 2 2 302.422 1.854 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079890638 755634262 /nfs/dbraw/zinc/63/42/62/755634262.db2.gz BEQVKTQRVLJACR-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079890638 755634264 /nfs/dbraw/zinc/63/42/64/755634264.db2.gz BEQVKTQRVLJACR-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079890638 755634266 /nfs/dbraw/zinc/63/42/66/755634266.db2.gz BEQVKTQRVLJACR-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079890638 755634267 /nfs/dbraw/zinc/63/42/67/755634267.db2.gz BEQVKTQRVLJACR-IXYNUQLISA-N 2 2 302.422 1.916 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001001004918 762460540 /nfs/dbraw/zinc/46/05/40/762460540.db2.gz XWBQVGQHXDCZDA-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001001004918 762460543 /nfs/dbraw/zinc/46/05/43/762460543.db2.gz XWBQVGQHXDCZDA-OAHLLOKOSA-N 2 2 317.458 1.320 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001081748424 756462739 /nfs/dbraw/zinc/46/27/39/756462739.db2.gz FNWNZMWBSNYNQY-ZIAGYGMSSA-N 2 2 323.462 1.425 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001081748424 756462741 /nfs/dbraw/zinc/46/27/41/756462741.db2.gz FNWNZMWBSNYNQY-ZIAGYGMSSA-N 2 2 323.462 1.425 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363041 757124183 /nfs/dbraw/zinc/12/41/83/757124183.db2.gz KCQPZLBLAXDAPW-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097363041 757124192 /nfs/dbraw/zinc/12/41/92/757124192.db2.gz KCQPZLBLAXDAPW-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC=C)[C@H]2C1 ZINC001084961228 758104254 /nfs/dbraw/zinc/10/42/54/758104254.db2.gz SZNCRNGOSCPWFA-IKGGRYGDSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC=C)[C@H]2C1 ZINC001084961228 758104263 /nfs/dbraw/zinc/10/42/63/758104263.db2.gz SZNCRNGOSCPWFA-IKGGRYGDSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC=C)[C@H]2C1 ZINC001084961228 758104271 /nfs/dbraw/zinc/10/42/71/758104271.db2.gz SZNCRNGOSCPWFA-IKGGRYGDSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC=C)[C@H]2C1 ZINC001084961228 758104279 /nfs/dbraw/zinc/10/42/79/758104279.db2.gz SZNCRNGOSCPWFA-IKGGRYGDSA-N 2 2 301.434 1.193 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053799466 758825983 /nfs/dbraw/zinc/82/59/83/758825983.db2.gz VWWVPVFCJRXXNH-HOTGVXAUSA-N 2 2 321.465 1.395 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053799466 758825992 /nfs/dbraw/zinc/82/59/92/758825992.db2.gz VWWVPVFCJRXXNH-HOTGVXAUSA-N 2 2 321.465 1.395 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001018783735 759257686 /nfs/dbraw/zinc/25/76/86/759257686.db2.gz STSFLDYILKFKFJ-INIZCTEOSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085337296 759274453 /nfs/dbraw/zinc/27/44/53/759274453.db2.gz RZWRCVVEMQQKKX-KBUPBQIOSA-N 2 2 300.406 1.174 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249374 759342166 /nfs/dbraw/zinc/34/21/66/759342166.db2.gz UQARNPDFQZMHQP-MRXNPFEDSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249374 759342177 /nfs/dbraw/zinc/34/21/77/759342177.db2.gz UQARNPDFQZMHQP-MRXNPFEDSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085782215 760218396 /nfs/dbraw/zinc/21/83/96/760218396.db2.gz PILPKDRTMRBILQ-JKSUJKDBSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782215 760218405 /nfs/dbraw/zinc/21/84/05/760218405.db2.gz PILPKDRTMRBILQ-JKSUJKDBSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782215 760218417 /nfs/dbraw/zinc/21/84/17/760218417.db2.gz PILPKDRTMRBILQ-JKSUJKDBSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782215 760218427 /nfs/dbraw/zinc/21/84/27/760218427.db2.gz PILPKDRTMRBILQ-JKSUJKDBSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085782214 760218769 /nfs/dbraw/zinc/21/87/69/760218769.db2.gz PILPKDRTMRBILQ-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782214 760218774 /nfs/dbraw/zinc/21/87/74/760218774.db2.gz PILPKDRTMRBILQ-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782214 760218780 /nfs/dbraw/zinc/21/87/80/760218780.db2.gz PILPKDRTMRBILQ-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782214 760218783 /nfs/dbraw/zinc/21/87/83/760218783.db2.gz PILPKDRTMRBILQ-HZPDHXFCSA-N 2 2 309.454 1.204 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001085986838 760657404 /nfs/dbraw/zinc/65/74/04/760657404.db2.gz OAWUQWYSMZKWTE-YCOJEUHLSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C/Cl)CC1 ZINC001085986838 760657407 /nfs/dbraw/zinc/65/74/07/760657407.db2.gz OAWUQWYSMZKWTE-YCOJEUHLSA-N 2 2 323.868 1.617 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086093290 760970547 /nfs/dbraw/zinc/97/05/47/760970547.db2.gz JEHMFVCJFYSCHN-ZENOOKHLSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086093290 760970553 /nfs/dbraw/zinc/97/05/53/760970553.db2.gz JEHMFVCJFYSCHN-ZENOOKHLSA-N 2 2 317.437 1.460 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086128393 761026897 /nfs/dbraw/zinc/02/68/97/761026897.db2.gz DHCAKLCQWDTUCR-KFWWJZLASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006293214 761272595 /nfs/dbraw/zinc/27/25/95/761272595.db2.gz ZBRSVEGPUAPAKV-UHFFFAOYSA-N 2 2 302.422 1.633 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001000326004 761645588 /nfs/dbraw/zinc/64/55/88/761645588.db2.gz VUOQFDLCRSHPOI-MRXNPFEDSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237504 761874847 /nfs/dbraw/zinc/87/48/47/761874847.db2.gz ITSYPEXGEPGNIO-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237504 761874854 /nfs/dbraw/zinc/87/48/54/761874854.db2.gz ITSYPEXGEPGNIO-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041419195 763015521 /nfs/dbraw/zinc/01/55/21/763015521.db2.gz RTXWVMPXOZHFPS-YJBOKZPZSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041419195 763015527 /nfs/dbraw/zinc/01/55/27/763015527.db2.gz RTXWVMPXOZHFPS-YJBOKZPZSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001113037490 765175901 /nfs/dbraw/zinc/17/59/01/765175901.db2.gz KQKHTMXFBFKMOL-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001113042931 765179937 /nfs/dbraw/zinc/17/99/37/765179937.db2.gz YEAQUWCKBAWURB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052488655 765879512 /nfs/dbraw/zinc/87/95/12/765879512.db2.gz JLAQMRPKVMUGNX-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052488655 765879515 /nfs/dbraw/zinc/87/95/15/765879515.db2.gz JLAQMRPKVMUGNX-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506668 765900155 /nfs/dbraw/zinc/90/01/55/765900155.db2.gz JBUCSCASLSVHOQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052506668 765900158 /nfs/dbraw/zinc/90/01/58/765900158.db2.gz JBUCSCASLSVHOQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432227 767555688 /nfs/dbraw/zinc/55/56/88/767555688.db2.gz KXAJPNYKAIHLRF-QGZVFWFLSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432227 767555690 /nfs/dbraw/zinc/55/56/90/767555690.db2.gz KXAJPNYKAIHLRF-QGZVFWFLSA-N 2 2 320.437 1.897 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364034 769748442 /nfs/dbraw/zinc/74/84/42/769748442.db2.gz RLJSBHJXLGNYBN-IRXDYDNUSA-N 2 2 316.449 1.761 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933195 770130587 /nfs/dbraw/zinc/13/05/87/770130587.db2.gz OPWSYGKQYTWPPZ-GASCZTMLSA-N 2 2 308.385 1.361 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933195 770130591 /nfs/dbraw/zinc/13/05/91/770130591.db2.gz OPWSYGKQYTWPPZ-GASCZTMLSA-N 2 2 308.385 1.361 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403874 770990041 /nfs/dbraw/zinc/99/00/41/770990041.db2.gz UYFBSZPAVYVCFL-KBPBESRZSA-N 2 2 304.438 1.821 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848425 771205756 /nfs/dbraw/zinc/20/57/56/771205756.db2.gz KJHIZWOKFDEYHN-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049848425 771205759 /nfs/dbraw/zinc/20/57/59/771205759.db2.gz KJHIZWOKFDEYHN-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934483 771284044 /nfs/dbraw/zinc/28/40/44/771284044.db2.gz WZPXANUCOWWKDE-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934483 771284045 /nfs/dbraw/zinc/28/40/45/771284045.db2.gz WZPXANUCOWWKDE-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(N(C)C)cc[nH+]1 ZINC001171068734 772219833 /nfs/dbraw/zinc/21/98/33/772219833.db2.gz UQJTXPYYUVGLKZ-LBPRGKRZSA-N 2 2 307.398 1.181 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001074419060 773911259 /nfs/dbraw/zinc/91/12/59/773911259.db2.gz FJKUHPVBOSHEES-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001074419060 773911263 /nfs/dbraw/zinc/91/12/63/773911263.db2.gz FJKUHPVBOSHEES-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747857 774247873 /nfs/dbraw/zinc/24/78/73/774247873.db2.gz IQRDQYWGKLGLDA-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747857 774247876 /nfs/dbraw/zinc/24/78/76/774247876.db2.gz IQRDQYWGKLGLDA-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036747779 774469014 /nfs/dbraw/zinc/46/90/14/774469014.db2.gz RNYFKFQTMVOAIU-GDBMZVCRSA-N 2 2 315.417 1.742 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@H]21 ZINC001036747779 774469015 /nfs/dbraw/zinc/46/90/15/774469015.db2.gz RNYFKFQTMVOAIU-GDBMZVCRSA-N 2 2 315.417 1.742 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098214808 774513695 /nfs/dbraw/zinc/51/36/95/774513695.db2.gz YQLPFJUTNQPYSJ-YJNKXOJESA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098214808 774513701 /nfs/dbraw/zinc/51/37/01/774513701.db2.gz YQLPFJUTNQPYSJ-YJNKXOJESA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098214808 774513707 /nfs/dbraw/zinc/51/37/07/774513707.db2.gz YQLPFJUTNQPYSJ-YJNKXOJESA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098214808 774513712 /nfs/dbraw/zinc/51/37/12/774513712.db2.gz YQLPFJUTNQPYSJ-YJNKXOJESA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910348 776077998 /nfs/dbraw/zinc/07/79/98/776077998.db2.gz RXCRTFAOZVGMRD-HOTGVXAUSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910348 776078004 /nfs/dbraw/zinc/07/80/04/776078004.db2.gz RXCRTFAOZVGMRD-HOTGVXAUSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100460920 776187256 /nfs/dbraw/zinc/18/72/56/776187256.db2.gz FDQUBIQXCKQQPO-SLTAFYQDSA-N 2 2 316.449 1.884 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100460920 776187257 /nfs/dbraw/zinc/18/72/57/776187257.db2.gz FDQUBIQXCKQQPO-SLTAFYQDSA-N 2 2 316.449 1.884 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577514 776350761 /nfs/dbraw/zinc/35/07/61/776350761.db2.gz SQJQQUXRQRGQEP-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579419 777270272 /nfs/dbraw/zinc/27/02/72/777270272.db2.gz GLOWHPVWPUQXDG-UHFFFAOYSA-N 2 2 316.449 1.830 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358805 777761979 /nfs/dbraw/zinc/76/19/79/777761979.db2.gz PJJMFTDKADYZJK-RBSFLKMASA-N 2 2 304.438 1.974 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159589 778677314 /nfs/dbraw/zinc/67/73/14/778677314.db2.gz PYIJQISBHTWNKW-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159589 778677321 /nfs/dbraw/zinc/67/73/21/778677321.db2.gz PYIJQISBHTWNKW-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103572663 778949812 /nfs/dbraw/zinc/94/98/12/778949812.db2.gz FKBVBGYXHMMCGU-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103572663 778949816 /nfs/dbraw/zinc/94/98/16/778949816.db2.gz FKBVBGYXHMMCGU-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178851801 779199615 /nfs/dbraw/zinc/19/96/15/779199615.db2.gz IRJWZOFTXJVJKB-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731894 779453187 /nfs/dbraw/zinc/45/31/87/779453187.db2.gz SHWCHIAUHMMMGA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731894 779453192 /nfs/dbraw/zinc/45/31/92/779453192.db2.gz SHWCHIAUHMMMGA-YOEHRIQHSA-N 2 2 302.422 1.889 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885247 779538283 /nfs/dbraw/zinc/53/82/83/779538283.db2.gz HPNZDRMHHXSDGJ-RYRKJORJSA-N 2 2 314.433 1.828 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885247 779538291 /nfs/dbraw/zinc/53/82/91/779538291.db2.gz HPNZDRMHHXSDGJ-RYRKJORJSA-N 2 2 314.433 1.828 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180032810 779597891 /nfs/dbraw/zinc/59/78/91/779597891.db2.gz GUEINDCTGFUPPR-HOCLYGCPSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001266420876 836232118 /nfs/dbraw/zinc/23/21/18/836232118.db2.gz MWDQZAAQMVVAAB-QGZVFWFLSA-N 2 2 308.385 1.604 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066014 837278944 /nfs/dbraw/zinc/27/89/44/837278944.db2.gz AUCBJBYYTFARNW-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267584797 838367176 /nfs/dbraw/zinc/36/71/76/838367176.db2.gz IQRFRXXREVSDMI-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267584797 838367178 /nfs/dbraw/zinc/36/71/78/838367178.db2.gz IQRFRXXREVSDMI-INIZCTEOSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001267763956 838902972 /nfs/dbraw/zinc/90/29/72/838902972.db2.gz HMKGBCAKBFEIBJ-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001267763956 838902981 /nfs/dbraw/zinc/90/29/81/838902981.db2.gz HMKGBCAKBFEIBJ-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790657 838985360 /nfs/dbraw/zinc/98/53/60/838985360.db2.gz OVWKWSKGBUURPA-ZBFHGGJFSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267790657 838985366 /nfs/dbraw/zinc/98/53/66/838985366.db2.gz OVWKWSKGBUURPA-ZBFHGGJFSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790657 838985372 /nfs/dbraw/zinc/98/53/72/838985372.db2.gz OVWKWSKGBUURPA-ZBFHGGJFSA-N 2 2 302.422 1.534 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267790657 838985373 /nfs/dbraw/zinc/98/53/73/838985373.db2.gz OVWKWSKGBUURPA-ZBFHGGJFSA-N 2 2 302.422 1.534 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268166498 839782837 /nfs/dbraw/zinc/78/28/37/839782837.db2.gz MDCBLYJJSHVNEM-DOTOQJQBSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268166498 839782847 /nfs/dbraw/zinc/78/28/47/839782847.db2.gz MDCBLYJJSHVNEM-DOTOQJQBSA-N 2 2 316.449 1.972 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268316474 839991331 /nfs/dbraw/zinc/99/13/31/839991331.db2.gz SVLQZHBUPBTOGF-OCCSQVGLSA-N 2 2 316.405 1.598 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735016 840734623 /nfs/dbraw/zinc/73/46/23/840734623.db2.gz CONFEAGDBKICNN-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735016 840734629 /nfs/dbraw/zinc/73/46/29/840734629.db2.gz CONFEAGDBKICNN-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268992849 841092472 /nfs/dbraw/zinc/09/24/72/841092472.db2.gz ISPODTVZSOSTQE-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268992849 841092482 /nfs/dbraw/zinc/09/24/82/841092482.db2.gz ISPODTVZSOSTQE-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001269980243 842199289 /nfs/dbraw/zinc/19/92/89/842199289.db2.gz FCWNIJNZUULTFX-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271687772 843781263 /nfs/dbraw/zinc/78/12/63/843781263.db2.gz NJMNEHARJKZZTK-CVEARBPZSA-N 2 2 320.437 1.302 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nccs1 ZINC001273426845 850235917 /nfs/dbraw/zinc/23/59/17/850235917.db2.gz BJJUHCWMRBLYMV-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nccs1 ZINC001273426845 850235926 /nfs/dbraw/zinc/23/59/26/850235926.db2.gz BJJUHCWMRBLYMV-AWEZNQCLSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001327468004 862194917 /nfs/dbraw/zinc/19/49/17/862194917.db2.gz SPHWLUVUFFMSPC-UHFFFAOYSA-N 2 2 302.422 1.347 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327361 852984510 /nfs/dbraw/zinc/98/45/10/852984510.db2.gz ONJSFZHVQJDVMX-UHFFFAOYSA-N 2 2 302.397 1.377 20 30 DDEDLP C[NH+](C)C1(CNc2nc3c(cc2C#N)CCC3)CC[NH+](C)CC1 ZINC001156185567 862789271 /nfs/dbraw/zinc/78/92/71/862789271.db2.gz SSAYZKHULLHDEG-UHFFFAOYSA-N 2 2 313.449 1.880 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072871600 857826374 /nfs/dbraw/zinc/82/63/74/857826374.db2.gz KJJCWGFLXGZMHL-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072871600 857826385 /nfs/dbraw/zinc/82/63/85/857826385.db2.gz KJJCWGFLXGZMHL-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001224691067 881497348 /nfs/dbraw/zinc/49/73/48/881497348.db2.gz BOWKAPDMXHNNDW-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878398 860505028 /nfs/dbraw/zinc/50/50/28/860505028.db2.gz KQHMAADATJGNGG-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878398 860505034 /nfs/dbraw/zinc/50/50/34/860505034.db2.gz KQHMAADATJGNGG-MRXNPFEDSA-N 2 2 318.396 1.340 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001381384258 881640515 /nfs/dbraw/zinc/64/05/15/881640515.db2.gz UAGGCDPDNKAWIB-QWHCGFSZSA-N 2 2 324.856 1.997 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCc2sccc2C1 ZINC001157068481 863550213 /nfs/dbraw/zinc/55/02/13/863550213.db2.gz AQNTWZOIOULPSV-CQSZACIVSA-N 2 2 319.474 1.566 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCc2sccc2C1 ZINC001157068481 863550215 /nfs/dbraw/zinc/55/02/15/863550215.db2.gz AQNTWZOIOULPSV-CQSZACIVSA-N 2 2 319.474 1.566 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001157068481 863550224 /nfs/dbraw/zinc/55/02/24/863550224.db2.gz AQNTWZOIOULPSV-CQSZACIVSA-N 2 2 319.474 1.566 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001157068481 863550234 /nfs/dbraw/zinc/55/02/34/863550234.db2.gz AQNTWZOIOULPSV-CQSZACIVSA-N 2 2 319.474 1.566 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153476958 863906358 /nfs/dbraw/zinc/90/63/58/863906358.db2.gz BFQAAESEQAWOTJ-CJNGLKHVSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001153476958 863906374 /nfs/dbraw/zinc/90/63/74/863906374.db2.gz BFQAAESEQAWOTJ-CJNGLKHVSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153476958 863906393 /nfs/dbraw/zinc/90/63/93/863906393.db2.gz BFQAAESEQAWOTJ-CJNGLKHVSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001153476958 863906406 /nfs/dbraw/zinc/90/64/06/863906406.db2.gz BFQAAESEQAWOTJ-CJNGLKHVSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159472 864112599 /nfs/dbraw/zinc/11/25/99/864112599.db2.gz GSRMKDJQCAFZOK-SJLPKXTDSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001330159472 864112601 /nfs/dbraw/zinc/11/26/01/864112601.db2.gz GSRMKDJQCAFZOK-SJLPKXTDSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330339961 864253019 /nfs/dbraw/zinc/25/30/19/864253019.db2.gz MGHOJANBLLNOKH-MIGQKNRLSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330339961 864253036 /nfs/dbraw/zinc/25/30/36/864253036.db2.gz MGHOJANBLLNOKH-MIGQKNRLSA-N 2 2 302.422 1.601 20 30 DDEDLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001331521098 865132539 /nfs/dbraw/zinc/13/25/39/865132539.db2.gz XWYHGKNHWUFSBS-KRWDZBQOSA-N 2 2 324.428 1.761 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(N(C)CC)cc[nH+]1 ZINC001159918417 865594958 /nfs/dbraw/zinc/59/49/58/865594958.db2.gz AYJNEUSAKJOGHW-ZDUSSCGKSA-N 2 2 321.425 1.571 20 30 DDEDLP CC#CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001333179295 866490217 /nfs/dbraw/zinc/49/02/17/866490217.db2.gz CQULPBZDEYJZHS-UHFFFAOYSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ocnc1C ZINC001320755153 867004781 /nfs/dbraw/zinc/00/47/81/867004781.db2.gz CEMOXQSJUVBGMZ-HNNXBMFYSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ocnc1C ZINC001320755153 867004793 /nfs/dbraw/zinc/00/47/93/867004793.db2.gz CEMOXQSJUVBGMZ-HNNXBMFYSA-N 2 2 318.421 1.019 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165836479 869730598 /nfs/dbraw/zinc/73/05/98/869730598.db2.gz PKRPPKLHAQCFHZ-OAHLLOKOSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CC[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccncc1 ZINC001338534078 870034657 /nfs/dbraw/zinc/03/46/57/870034657.db2.gz CQHOSAOWXCVLFG-MRXNPFEDSA-N 2 2 317.437 1.421 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816489 870776214 /nfs/dbraw/zinc/77/62/14/870776214.db2.gz XXFWONBACVJPKH-JKSUJKDBSA-N 2 2 314.433 1.704 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853459 871592413 /nfs/dbraw/zinc/59/24/13/871592413.db2.gz LMEAMGYEQDHIKU-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853459 871592432 /nfs/dbraw/zinc/59/24/32/871592432.db2.gz LMEAMGYEQDHIKU-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853459 871592443 /nfs/dbraw/zinc/59/24/43/871592443.db2.gz LMEAMGYEQDHIKU-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853459 871592461 /nfs/dbraw/zinc/59/24/61/871592461.db2.gz LMEAMGYEQDHIKU-LSDHHAIUSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205680107 871692897 /nfs/dbraw/zinc/69/28/97/871692897.db2.gz YHIQMJVENTVVRT-UHFFFAOYSA-N 2 2 310.401 1.799 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001341710823 871787570 /nfs/dbraw/zinc/78/75/70/871787570.db2.gz AZCDGVPNSULKGB-OAHLLOKOSA-N 2 2 300.406 1.985 20 30 DDEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872583 872676651 /nfs/dbraw/zinc/67/66/51/872676651.db2.gz KPFZMMGSCWLZQW-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006714 876537897 /nfs/dbraw/zinc/53/78/97/876537897.db2.gz ZVBNIRQBFONGTI-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006714 876537905 /nfs/dbraw/zinc/53/79/05/876537905.db2.gz ZVBNIRQBFONGTI-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005765 876538990 /nfs/dbraw/zinc/53/89/90/876538990.db2.gz HMWZVCMQQNJFBV-QLFBSQMISA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646550 877636513 /nfs/dbraw/zinc/63/65/13/877636513.db2.gz VDDLYVOHPSBEJG-LSDHHAIUSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646550 877636520 /nfs/dbraw/zinc/63/65/20/877636520.db2.gz VDDLYVOHPSBEJG-LSDHHAIUSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646550 877636525 /nfs/dbraw/zinc/63/65/25/877636525.db2.gz VDDLYVOHPSBEJG-LSDHHAIUSA-N 2 2 309.454 1.062 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646550 877636528 /nfs/dbraw/zinc/63/65/28/877636528.db2.gz VDDLYVOHPSBEJG-LSDHHAIUSA-N 2 2 309.454 1.062 20 30 DDEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276838375 880698736 /nfs/dbraw/zinc/69/87/36/880698736.db2.gz UHROQDQXOYTCTH-UHFFFAOYSA-N 2 2 310.405 1.707 20 30 DDEDLP CC(=O)[C@@H](C)[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277888390 888199823 /nfs/dbraw/zinc/19/98/23/888199823.db2.gz IUKGIPDTBZTXJB-CQSZACIVSA-N 2 2 314.433 1.772 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001364360860 888457742 /nfs/dbraw/zinc/45/77/42/888457742.db2.gz VFMKYIAOXYEBNP-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001364360860 888457747 /nfs/dbraw/zinc/45/77/47/888457747.db2.gz VFMKYIAOXYEBNP-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323491 890587139 /nfs/dbraw/zinc/58/71/39/890587139.db2.gz FBWWPGWLTCSEOA-ROUUACIJSA-N 2 2 317.433 1.634 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323491 890587144 /nfs/dbraw/zinc/58/71/44/890587144.db2.gz FBWWPGWLTCSEOA-ROUUACIJSA-N 2 2 317.433 1.634 20 30 DDEDLP CCCCCCCCOC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246307858 892530434 /nfs/dbraw/zinc/53/04/34/892530434.db2.gz HAXXQESJQAVAHV-HNNXBMFYSA-N 2 2 311.470 1.574 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001278485750 893189018 /nfs/dbraw/zinc/18/90/18/893189018.db2.gz CBTMGWGDBCNZTK-BRWVUGGUSA-N 2 2 314.433 1.513 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001252468903 895180892 /nfs/dbraw/zinc/18/08/92/895180892.db2.gz RSTRMRNIYVCKAT-QGZVFWFLSA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001252468903 895180905 /nfs/dbraw/zinc/18/09/05/895180905.db2.gz RSTRMRNIYVCKAT-QGZVFWFLSA-N 2 2 312.454 1.125 20 30 DDEDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254660658 896551953 /nfs/dbraw/zinc/55/19/53/896551953.db2.gz ZELMEULULGFEDW-CABCVRRESA-N 2 2 304.438 1.355 20 30 DDEDLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254660658 896551964 /nfs/dbraw/zinc/55/19/64/896551964.db2.gz ZELMEULULGFEDW-CABCVRRESA-N 2 2 304.438 1.355 20 30 DDEDLP C=CCOC(=O)N1CCC2(C[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC001256202814 897313904 /nfs/dbraw/zinc/31/39/04/897313904.db2.gz MSJZOOBDJMGBLS-UHFFFAOYSA-N 2 2 307.438 1.801 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263833962 900750705 /nfs/dbraw/zinc/75/07/05/900750705.db2.gz UKVFOPCEECBCKX-GASCZTMLSA-N 2 2 314.433 1.270 20 30 DDEDLP C=CCC[NH2+]C1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001265737690 902352865 /nfs/dbraw/zinc/35/28/65/902352865.db2.gz UEPMCYMVNRSEDA-UHFFFAOYSA-N 2 2 304.438 1.946 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001279250531 903203560 /nfs/dbraw/zinc/20/35/60/903203560.db2.gz XPOZWHUCQOZADS-FHERZECASA-N 2 2 316.449 1.991 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001281020548 904325445 /nfs/dbraw/zinc/32/54/45/904325445.db2.gz AJSDQLNQJFUCMO-UHFFFAOYSA-N 2 2 310.401 1.942 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001392626597 904651439 /nfs/dbraw/zinc/65/14/39/904651439.db2.gz DBZJZRDQKVNNSL-NSHDSACASA-N 2 2 303.391 1.111 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001281497017 904937595 /nfs/dbraw/zinc/93/75/95/904937595.db2.gz DXWQODGUYUKVBY-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001281681367 905156299 /nfs/dbraw/zinc/15/62/99/905156299.db2.gz AQEYMFIMDBPTBD-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001281681367 905156312 /nfs/dbraw/zinc/15/63/12/905156312.db2.gz AQEYMFIMDBPTBD-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282204815 905614312 /nfs/dbraw/zinc/61/43/12/905614312.db2.gz ALNFCYJZQULJJE-GJZGRUSLSA-N 2 2 310.401 1.487 20 30 DDEDLP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001283507053 907490643 /nfs/dbraw/zinc/49/06/43/907490643.db2.gz AZCWPVHGEAUQIV-INIZCTEOSA-N 2 2 316.449 1.775 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001394133115 908926021 /nfs/dbraw/zinc/92/60/21/908926021.db2.gz IWLHAKHRSJXOCJ-TZMCWYRMSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001394133115 908926025 /nfs/dbraw/zinc/92/60/25/908926025.db2.gz IWLHAKHRSJXOCJ-TZMCWYRMSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001373673068 910574999 /nfs/dbraw/zinc/57/49/99/910574999.db2.gz NOCKSNQPZUOCOG-ZIAGYGMSSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001373673068 910575013 /nfs/dbraw/zinc/57/50/13/910575013.db2.gz NOCKSNQPZUOCOG-ZIAGYGMSSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001394835025 910698561 /nfs/dbraw/zinc/69/85/61/910698561.db2.gz MGDPLEAXJJPSLP-CYBMUJFWSA-N 2 2 312.845 1.836 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001375238487 915349678 /nfs/dbraw/zinc/34/96/78/915349678.db2.gz FVBODSBTVQCNIW-KBPBESRZSA-N 2 2 322.840 1.682 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001376323762 918233558 /nfs/dbraw/zinc/23/35/58/918233558.db2.gz BQVOKGSHYAKEKJ-UONOGXRCSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CCN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761340 352592705 /nfs/dbraw/zinc/59/27/05/352592705.db2.gz INKSTWOAHHLCSC-UHFFFAOYSA-N 2 2 306.454 1.210 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccco1 ZINC000087170496 353747731 /nfs/dbraw/zinc/74/77/31/353747731.db2.gz JFRCURFOVWNBQE-UHFFFAOYSA-N 2 2 304.398 1.287 20 30 DDEDLP C=CCCn1cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)nn1 ZINC000593958763 356073016 /nfs/dbraw/zinc/07/30/16/356073016.db2.gz MZEIBHVFSYSLMX-KRWDZBQOSA-N 2 2 318.469 1.066 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000593969376 356076147 /nfs/dbraw/zinc/07/61/47/356076147.db2.gz FBGRNBRXCVYOBF-UHFFFAOYSA-N 2 2 321.446 1.279 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000594441206 356216540 /nfs/dbraw/zinc/21/65/40/356216540.db2.gz ORKLRPGUUXNCLD-HNNXBMFYSA-N 2 2 315.421 1.709 20 30 DDEDLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]([NH3+])CCCCC#N)cn21 ZINC000594449397 356220990 /nfs/dbraw/zinc/22/09/90/356220990.db2.gz IOOQQYBLDHIAPV-OAHLLOKOSA-N 2 2 313.405 1.713 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769829 356645925 /nfs/dbraw/zinc/64/59/25/356645925.db2.gz SYXORIVAQJNJFC-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769829 356645926 /nfs/dbraw/zinc/64/59/26/356645926.db2.gz SYXORIVAQJNJFC-QGZVFWFLSA-N 2 2 317.433 1.466 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000602675924 359119283 /nfs/dbraw/zinc/11/92/83/359119283.db2.gz XBPQIFFTKZHZAX-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000602675924 359119286 /nfs/dbraw/zinc/11/92/86/359119286.db2.gz XBPQIFFTKZHZAX-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000602721577 359149316 /nfs/dbraw/zinc/14/93/16/359149316.db2.gz QWVPXUCBWXCSNJ-GJZGRUSLSA-N 2 2 322.453 1.015 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000602721577 359149317 /nfs/dbraw/zinc/14/93/17/359149317.db2.gz QWVPXUCBWXCSNJ-GJZGRUSLSA-N 2 2 322.453 1.015 20 30 DDEDLP C[C@H](CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000330187852 223084731 /nfs/dbraw/zinc/08/47/31/223084731.db2.gz KRSZTFJLSSODPV-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000330187852 223084734 /nfs/dbraw/zinc/08/47/34/223084734.db2.gz KRSZTFJLSSODPV-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157873261 197222758 /nfs/dbraw/zinc/22/27/58/197222758.db2.gz IXKFBFPERUILFM-SFHVURJKSA-N 2 2 312.461 1.939 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157873261 197222760 /nfs/dbraw/zinc/22/27/60/197222760.db2.gz IXKFBFPERUILFM-SFHVURJKSA-N 2 2 312.461 1.939 20 30 DDEDLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330825789 533187825 /nfs/dbraw/zinc/18/78/25/533187825.db2.gz OTLRMYQAPJTNDA-NSHDSACASA-N 2 2 321.425 1.806 20 30 DDEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152381311 407625964 /nfs/dbraw/zinc/62/59/64/407625964.db2.gz YLBYRWJTXKYVIC-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152381311 407625969 /nfs/dbraw/zinc/62/59/69/407625969.db2.gz YLBYRWJTXKYVIC-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152381311 407625974 /nfs/dbraw/zinc/62/59/74/407625974.db2.gz YLBYRWJTXKYVIC-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152381311 407625977 /nfs/dbraw/zinc/62/59/77/407625977.db2.gz YLBYRWJTXKYVIC-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(OC)c1O ZINC000131486375 407734206 /nfs/dbraw/zinc/73/42/06/407734206.db2.gz CZWDSPOSJAUIST-QGZVFWFLSA-N 2 2 308.422 1.532 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000120249959 408120658 /nfs/dbraw/zinc/12/06/58/408120658.db2.gz BZLCJRFUEUJSLA-INIZCTEOSA-N 2 2 302.418 1.757 20 30 DDEDLP COc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1OC ZINC000273340629 408161404 /nfs/dbraw/zinc/16/14/04/408161404.db2.gz MVFMWTIBZCFCDF-AWEZNQCLSA-N 2 2 320.437 1.715 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000150839189 408209288 /nfs/dbraw/zinc/20/92/88/408209288.db2.gz FZZPXGTVXFIZAS-RHSMWYFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000150839189 408209294 /nfs/dbraw/zinc/20/92/94/408209294.db2.gz FZZPXGTVXFIZAS-RHSMWYFYSA-N 2 2 304.438 1.213 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000264127531 408375585 /nfs/dbraw/zinc/37/55/85/408375585.db2.gz GAYZWXOKPIDSSX-UHFFFAOYSA-N 2 2 314.433 1.735 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038979 408967341 /nfs/dbraw/zinc/96/73/41/408967341.db2.gz AFEOKTDNVJPVFU-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038979 408967342 /nfs/dbraw/zinc/96/73/42/408967342.db2.gz AFEOKTDNVJPVFU-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038979 408967345 /nfs/dbraw/zinc/96/73/45/408967345.db2.gz AFEOKTDNVJPVFU-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038979 408967346 /nfs/dbraw/zinc/96/73/46/408967346.db2.gz AFEOKTDNVJPVFU-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CCC(CCNC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000329171943 410144731 /nfs/dbraw/zinc/14/47/31/410144731.db2.gz KHMWSCRMNAOJMF-UHFFFAOYSA-N 2 2 319.453 1.955 20 30 DDEDLP CC(C)[C@@H](C[NH2+]Cc1nc(C#N)cs1)N1CC[NH+](C)CC1 ZINC000352840575 410681976 /nfs/dbraw/zinc/68/19/76/410681976.db2.gz NVNOQMPDPXNWMU-CQSZACIVSA-N 2 2 307.467 1.376 20 30 DDEDLP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264136835 222324359 /nfs/dbraw/zinc/32/43/59/222324359.db2.gz ZZLJVUDUASUQBQ-UHFFFAOYSA-N 2 2 321.444 1.651 20 30 DDEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2cc(F)ccc2F)n1C ZINC000262247962 222273686 /nfs/dbraw/zinc/27/36/86/222273686.db2.gz CPPYNKSUERYKJK-UHFFFAOYSA-N 2 2 308.336 1.691 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NCc1sccc1C ZINC000262416266 222278664 /nfs/dbraw/zinc/27/86/64/222278664.db2.gz QFEVVOLXDTVGGV-UHFFFAOYSA-N 2 2 320.466 1.721 20 30 DDEDLP C=CC[N@@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363135242 418762216 /nfs/dbraw/zinc/76/22/16/418762216.db2.gz RLOBSHSZSHSAHV-UHFFFAOYSA-N 2 2 323.481 1.646 20 30 DDEDLP C=CC[N@H+](CC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363135242 418762219 /nfs/dbraw/zinc/76/22/19/418762219.db2.gz RLOBSHSZSHSAHV-UHFFFAOYSA-N 2 2 323.481 1.646 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291863 418775101 /nfs/dbraw/zinc/77/51/01/418775101.db2.gz ACLKQGFSTASJRR-GVDBMIGSSA-N 2 2 321.465 1.371 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291863 418775102 /nfs/dbraw/zinc/77/51/02/418775102.db2.gz ACLKQGFSTASJRR-GVDBMIGSSA-N 2 2 321.465 1.371 20 30 DDEDLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424168543 228239722 /nfs/dbraw/zinc/23/97/22/228239722.db2.gz ILOAJZBTDCJJNT-UKRRQHHQSA-N 2 2 320.462 1.974 20 30 DDEDLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425225251 228394266 /nfs/dbraw/zinc/39/42/66/228394266.db2.gz LZOZZMWPJNYEFM-INIZCTEOSA-N 2 2 315.421 1.038 20 30 DDEDLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425225251 228394269 /nfs/dbraw/zinc/39/42/69/228394269.db2.gz LZOZZMWPJNYEFM-INIZCTEOSA-N 2 2 315.421 1.038 20 30 DDEDLP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000425242658 228397739 /nfs/dbraw/zinc/39/77/39/228397739.db2.gz CQZWJVFMQLNZHQ-SFHVURJKSA-N 2 2 322.412 1.862 20 30 DDEDLP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C#N)c[nH+]1 ZINC000425242658 228397741 /nfs/dbraw/zinc/39/77/41/228397741.db2.gz CQZWJVFMQLNZHQ-SFHVURJKSA-N 2 2 322.412 1.862 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)C(C)C ZINC000423349290 420022840 /nfs/dbraw/zinc/02/28/40/420022840.db2.gz VKONOQXVYKHDLZ-LSDHHAIUSA-N 2 2 322.478 1.958 20 30 DDEDLP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000568857806 421623446 /nfs/dbraw/zinc/62/34/46/421623446.db2.gz QIDMISHQNMIDQX-HNNXBMFYSA-N 2 2 312.421 1.367 20 30 DDEDLP C=C[C@@](C)(O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194361 422317537 /nfs/dbraw/zinc/31/75/37/422317537.db2.gz VQRKIMUDQKUUTB-MRXNPFEDSA-N 2 2 304.394 1.099 20 30 DDEDLP Cc1cc(NCC[NH2+]C[C@H](O)CC2(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000600760897 422412394 /nfs/dbraw/zinc/41/23/94/422412394.db2.gz IKORXHQINJTNKO-CQSZACIVSA-N 2 2 317.437 1.965 20 30 DDEDLP C=CC[C@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC[NH2+]1 ZINC000638985746 423230392 /nfs/dbraw/zinc/23/03/92/423230392.db2.gz NMLPGJGCVTUSFQ-QGZVFWFLSA-N 3 2 315.421 1.128 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159613 424446092 /nfs/dbraw/zinc/44/60/92/424446092.db2.gz JQWNFHUBJOSOQZ-RDJZCZTQSA-N 2 2 321.465 1.107 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159613 424446100 /nfs/dbraw/zinc/44/61/00/424446100.db2.gz JQWNFHUBJOSOQZ-RDJZCZTQSA-N 2 2 321.465 1.107 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108015 526525535 /nfs/dbraw/zinc/52/55/35/526525535.db2.gz CQCFXSDXMPZHIR-UHFFFAOYSA-N 2 2 307.360 1.637 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108015 526525539 /nfs/dbraw/zinc/52/55/39/526525539.db2.gz CQCFXSDXMPZHIR-UHFFFAOYSA-N 2 2 307.360 1.637 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000490800600 526950218 /nfs/dbraw/zinc/95/02/18/526950218.db2.gz VSNJPAUIGIYLRZ-JKSUJKDBSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000490800600 526950222 /nfs/dbraw/zinc/95/02/22/526950222.db2.gz VSNJPAUIGIYLRZ-JKSUJKDBSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000491785426 526950647 /nfs/dbraw/zinc/95/06/47/526950647.db2.gz UXJHNZRZNCBJSV-AWEZNQCLSA-N 2 2 319.836 1.768 20 30 DDEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000338334907 529124706 /nfs/dbraw/zinc/12/47/06/529124706.db2.gz YUGIQWHHQBQJBD-INIZCTEOSA-N 2 2 314.433 1.516 20 30 DDEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000338334907 529124707 /nfs/dbraw/zinc/12/47/07/529124707.db2.gz YUGIQWHHQBQJBD-INIZCTEOSA-N 2 2 314.433 1.516 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980225006 696712188 /nfs/dbraw/zinc/71/21/88/696712188.db2.gz BYQYOAVWMNGAJY-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980225006 696712190 /nfs/dbraw/zinc/71/21/90/696712190.db2.gz BYQYOAVWMNGAJY-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C ZINC000974682998 695711217 /nfs/dbraw/zinc/71/12/17/695711217.db2.gz AJICJPZOJZNFSZ-LSDHHAIUSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC000974682998 695711219 /nfs/dbraw/zinc/71/12/19/695711219.db2.gz AJICJPZOJZNFSZ-LSDHHAIUSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C ZINC000974682998 695711220 /nfs/dbraw/zinc/71/12/20/695711220.db2.gz AJICJPZOJZNFSZ-LSDHHAIUSA-N 2 2 309.429 1.270 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C ZINC000974682998 695711221 /nfs/dbraw/zinc/71/12/21/695711221.db2.gz AJICJPZOJZNFSZ-LSDHHAIUSA-N 2 2 309.429 1.270 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735769 695721562 /nfs/dbraw/zinc/72/15/62/695721562.db2.gz QRPKJCXNCBQWEP-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974735769 695721564 /nfs/dbraw/zinc/72/15/64/695721564.db2.gz QRPKJCXNCBQWEP-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000981385863 697081838 /nfs/dbraw/zinc/08/18/38/697081838.db2.gz PZWRMFUYFUYMLN-JKSUJKDBSA-N 2 2 324.428 1.835 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC000986420651 697807987 /nfs/dbraw/zinc/80/79/87/697807987.db2.gz VQEYLMIRSVEAFJ-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988877790 698490253 /nfs/dbraw/zinc/49/02/53/698490253.db2.gz VSCILCDVRBDOBZ-KGLIPLIRSA-N 2 2 302.422 1.527 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989486823 698640832 /nfs/dbraw/zinc/64/08/32/698640832.db2.gz GOZZKJXVWINTGF-DYVFJYSZSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991503141 699338361 /nfs/dbraw/zinc/33/83/61/699338361.db2.gz MWOSKJLEKCIVHQ-RDJZCZTQSA-N 2 2 318.421 1.649 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991503141 699338365 /nfs/dbraw/zinc/33/83/65/699338365.db2.gz MWOSKJLEKCIVHQ-RDJZCZTQSA-N 2 2 318.421 1.649 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000764534475 700975746 /nfs/dbraw/zinc/97/57/46/700975746.db2.gz CJZCLWISYDCZKT-UHFFFAOYSA-N 2 2 317.433 1.884 20 30 DDEDLP C#C[C@H]1COCC[NH+]1CCC(C)CC[N@@H+]1CCOC[C@@H]1C#C ZINC000839619709 701755630 /nfs/dbraw/zinc/75/56/30/701755630.db2.gz UUVJJLQSPVVGQV-ROUUACIJSA-N 2 2 304.434 1.071 20 30 DDEDLP C#C[C@H]1COCC[NH+]1CCC(C)CC[N@H+]1CCOC[C@@H]1C#C ZINC000839619709 701755633 /nfs/dbraw/zinc/75/56/33/701755633.db2.gz UUVJJLQSPVVGQV-ROUUACIJSA-N 2 2 304.434 1.071 20 30 DDEDLP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866228610 706654465 /nfs/dbraw/zinc/65/44/65/706654465.db2.gz LXLRWBNBSIOSDC-AWEZNQCLSA-N 2 2 316.449 1.940 20 30 DDEDLP CN(C)C(NCc1c[nH+]c(N(C)C)n1C)=[NH+]Cc1ccccc1 ZINC000849007371 703609964 /nfs/dbraw/zinc/60/99/64/703609964.db2.gz WTAUUGJKMULPAC-UHFFFAOYSA-N 2 2 314.437 1.694 20 30 DDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852100388 703923127 /nfs/dbraw/zinc/92/31/27/703923127.db2.gz XCMHHEQLGWEUDF-IBGZPJMESA-N 2 2 313.445 1.722 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000876767900 705866757 /nfs/dbraw/zinc/86/67/57/705866757.db2.gz DUZDPEWBNKWOOL-CYBMUJFWSA-N 2 2 306.797 1.771 20 30 DDEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCOCC1 ZINC000827565566 706027401 /nfs/dbraw/zinc/02/74/01/706027401.db2.gz MXLOJBDOXNUQBJ-QGZVFWFLSA-N 2 2 322.449 1.422 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227065 708261546 /nfs/dbraw/zinc/26/15/46/708261546.db2.gz ARPZSHBJWDNMEV-NVXWUHKLSA-N 2 2 321.465 1.928 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227065 708261549 /nfs/dbraw/zinc/26/15/49/708261549.db2.gz ARPZSHBJWDNMEV-NVXWUHKLSA-N 2 2 321.465 1.928 20 30 DDEDLP C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000886574561 708779518 /nfs/dbraw/zinc/77/95/18/708779518.db2.gz KSPMONHSSDTHFC-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000892791924 710500182 /nfs/dbraw/zinc/50/01/82/710500182.db2.gz BAHKUKWDNMTTLO-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000892791924 710500183 /nfs/dbraw/zinc/50/01/83/710500183.db2.gz BAHKUKWDNMTTLO-SFHVURJKSA-N 2 2 313.445 1.570 20 30 DDEDLP CSc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C#N ZINC000905465415 712045589 /nfs/dbraw/zinc/04/55/89/712045589.db2.gz PHIVGUQETHEZCS-OAHLLOKOSA-N 2 2 305.447 1.826 20 30 DDEDLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccnc1 ZINC000905550419 712074597 /nfs/dbraw/zinc/07/45/97/712074597.db2.gz IUZNRIZYZWDAFN-CVEARBPZSA-N 2 2 302.422 1.719 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015257 716388554 /nfs/dbraw/zinc/38/85/54/716388554.db2.gz SXFAVUQAEYPOPJ-HWWDLCQESA-N 2 2 314.433 1.384 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015257 716388557 /nfs/dbraw/zinc/38/85/57/716388557.db2.gz SXFAVUQAEYPOPJ-HWWDLCQESA-N 2 2 314.433 1.384 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960542793 716604065 /nfs/dbraw/zinc/60/40/65/716604065.db2.gz XUNWXQCDHNWMRD-HWWDLCQESA-N 2 2 315.417 1.645 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960542793 716604070 /nfs/dbraw/zinc/60/40/70/716604070.db2.gz XUNWXQCDHNWMRD-HWWDLCQESA-N 2 2 315.417 1.645 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847623 716989834 /nfs/dbraw/zinc/98/98/34/716989834.db2.gz ZRQSWIGFBCQSGN-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847623 716989837 /nfs/dbraw/zinc/98/98/37/716989837.db2.gz ZRQSWIGFBCQSGN-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631738 718859699 /nfs/dbraw/zinc/85/96/99/718859699.db2.gz WQLLMKWWGJMJOJ-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631738 718859702 /nfs/dbraw/zinc/85/97/02/718859702.db2.gz WQLLMKWWGJMJOJ-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631738 718859707 /nfs/dbraw/zinc/85/97/07/718859707.db2.gz WQLLMKWWGJMJOJ-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631738 718859712 /nfs/dbraw/zinc/85/97/12/718859712.db2.gz WQLLMKWWGJMJOJ-QKPAOTATSA-N 2 2 312.417 1.317 20 30 DDEDLP 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UTURAGIATRQNET-ZMSDIMECSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075969250 742290763 /nfs/dbraw/zinc/29/07/63/742290763.db2.gz UTURAGIATRQNET-ZMSDIMECSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303333 742647686 /nfs/dbraw/zinc/64/76/86/742647686.db2.gz RDRVPHUHBQTUQM-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303333 742647687 /nfs/dbraw/zinc/64/76/87/742647687.db2.gz RDRVPHUHBQTUQM-OWCLPIDISA-N 2 2 302.422 1.943 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517811 742762288 /nfs/dbraw/zinc/76/22/88/742762288.db2.gz YNLQEXRANSEQEM-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517811 742762291 /nfs/dbraw/zinc/76/22/91/742762291.db2.gz YNLQEXRANSEQEM-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035793729 751880947 /nfs/dbraw/zinc/88/09/47/751880947.db2.gz MYOFWSWISMHDMO-AWEZNQCLSA-N 2 2 312.417 1.387 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852120 744105010 /nfs/dbraw/zinc/10/50/10/744105010.db2.gz SYHWQEGRLKTXNG-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184903196 744123847 /nfs/dbraw/zinc/12/38/47/744123847.db2.gz NAIKENPJXBKUPY-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185215676 744182117 /nfs/dbraw/zinc/18/21/17/744182117.db2.gz NUOMABHQNNCAHE-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185594540 744254887 /nfs/dbraw/zinc/25/48/87/744254887.db2.gz FIRXCKPDUOWINJ-CVEARBPZSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000992665996 745093613 /nfs/dbraw/zinc/09/36/13/745093613.db2.gz IAUAGCKGNZYMNX-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000992720615 745148813 /nfs/dbraw/zinc/14/88/13/745148813.db2.gz LZBDKUXGDUQOLZ-NUEKZKHPSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000992720615 745148817 /nfs/dbraw/zinc/14/88/17/745148817.db2.gz LZBDKUXGDUQOLZ-NUEKZKHPSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000992756499 745180320 /nfs/dbraw/zinc/18/03/20/745180320.db2.gz NVBFWRXTAOAQFC-HRCADAONSA-N 2 2 314.433 1.203 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992924679 745293996 /nfs/dbraw/zinc/29/39/96/745293996.db2.gz NCMLWMVVNYXBBI-RRFJBIMHSA-N 2 2 322.840 1.852 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342869 745615939 /nfs/dbraw/zinc/61/59/39/745615939.db2.gz GZQDXJKWVBYHQR-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462216 746109871 /nfs/dbraw/zinc/10/98/71/746109871.db2.gz LZLCLGLRHJOTEU-HUUCEWRRSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462216 746109873 /nfs/dbraw/zinc/10/98/73/746109873.db2.gz LZLCLGLRHJOTEU-HUUCEWRRSA-N 2 2 304.438 1.850 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993485564 746187690 /nfs/dbraw/zinc/18/76/90/746187690.db2.gz BFLMDPOWKKFUGW-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993485564 746187694 /nfs/dbraw/zinc/18/76/94/746187694.db2.gz BFLMDPOWKKFUGW-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294971 746348240 /nfs/dbraw/zinc/34/82/40/746348240.db2.gz NUFFFFHBONFXEV-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294971 746348243 /nfs/dbraw/zinc/34/82/43/746348243.db2.gz NUFFFFHBONFXEV-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267756 746555038 /nfs/dbraw/zinc/55/50/38/746555038.db2.gz LIFQZRYHRKQLDG-UKRRQHHQSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267756 746555041 /nfs/dbraw/zinc/55/50/41/746555041.db2.gz LIFQZRYHRKQLDG-UKRRQHHQSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001007375785 752115595 /nfs/dbraw/zinc/11/55/95/752115595.db2.gz UGSRMLDELSBQMI-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001007375785 752115601 /nfs/dbraw/zinc/11/56/01/752115601.db2.gz UGSRMLDELSBQMI-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375785 752115606 /nfs/dbraw/zinc/11/56/06/752115606.db2.gz UGSRMLDELSBQMI-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001007375785 752115617 /nfs/dbraw/zinc/11/56/17/752115617.db2.gz UGSRMLDELSBQMI-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495698 746957467 /nfs/dbraw/zinc/95/74/67/746957467.db2.gz OADJCQIBHHZEQA-HZPDHXFCSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495698 746957473 /nfs/dbraw/zinc/95/74/73/746957473.db2.gz OADJCQIBHHZEQA-HZPDHXFCSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495698 746957504 /nfs/dbraw/zinc/95/75/04/746957504.db2.gz OADJCQIBHHZEQA-HZPDHXFCSA-N 2 2 321.465 1.088 20 30 DDEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495698 746957510 /nfs/dbraw/zinc/95/75/10/746957510.db2.gz OADJCQIBHHZEQA-HZPDHXFCSA-N 2 2 321.465 1.088 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001099336982 746995124 /nfs/dbraw/zinc/99/51/24/746995124.db2.gz BWEZTYGXEIJNOW-ZYHUDNBSSA-N 2 2 316.327 1.426 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001036084380 752145886 /nfs/dbraw/zinc/14/58/86/752145886.db2.gz QEBHFSDCWANBTI-DZGCQCFKSA-N 2 2 301.390 1.093 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031580469 747093677 /nfs/dbraw/zinc/09/36/77/747093677.db2.gz SJKKKTOEOANNHF-QGZVFWFLSA-N 2 2 312.417 1.200 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031580469 747093687 /nfs/dbraw/zinc/09/36/87/747093687.db2.gz SJKKKTOEOANNHF-QGZVFWFLSA-N 2 2 312.417 1.200 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766379 747785382 /nfs/dbraw/zinc/78/53/82/747785382.db2.gz HHDYSAGLUBGWAU-LSDHHAIUSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766379 747785387 /nfs/dbraw/zinc/78/53/87/747785387.db2.gz HHDYSAGLUBGWAU-LSDHHAIUSA-N 2 2 311.857 1.804 20 30 DDEDLP N#Cc1cccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)c1 ZINC001212314865 747834364 /nfs/dbraw/zinc/83/43/64/747834364.db2.gz LJYRZCCHZCXUOJ-AWEZNQCLSA-N 2 2 312.377 1.031 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001031790945 747850404 /nfs/dbraw/zinc/85/04/04/747850404.db2.gz XCPXYWSHNDULGD-HNNXBMFYSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001031790945 747850414 /nfs/dbraw/zinc/85/04/14/747850414.db2.gz XCPXYWSHNDULGD-HNNXBMFYSA-N 2 2 316.449 1.837 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089804004 747887802 /nfs/dbraw/zinc/88/78/02/747887802.db2.gz QRWIGIKWHFPECF-VGWMRTNUSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001089804004 747887811 /nfs/dbraw/zinc/88/78/11/747887811.db2.gz QRWIGIKWHFPECF-VGWMRTNUSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213158 748951025 /nfs/dbraw/zinc/95/10/25/748951025.db2.gz YGFXPNRLZZAPCQ-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213158 748951031 /nfs/dbraw/zinc/95/10/31/748951031.db2.gz YGFXPNRLZZAPCQ-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213158 748951038 /nfs/dbraw/zinc/95/10/38/748951038.db2.gz YGFXPNRLZZAPCQ-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213158 748951044 /nfs/dbraw/zinc/95/10/44/748951044.db2.gz YGFXPNRLZZAPCQ-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033418573 749318337 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314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033877626 750016078 /nfs/dbraw/zinc/01/60/78/750016078.db2.gz LBNFJKTXBOBRQM-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033877626 750016085 /nfs/dbraw/zinc/01/60/85/750016085.db2.gz LBNFJKTXBOBRQM-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033877626 750016091 /nfs/dbraw/zinc/01/60/91/750016091.db2.gz LBNFJKTXBOBRQM-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033877626 750016098 /nfs/dbraw/zinc/01/60/98/750016098.db2.gz LBNFJKTXBOBRQM-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033897801 750084165 /nfs/dbraw/zinc/08/41/65/750084165.db2.gz QTDUDCHALDVHGT-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033897801 750084171 /nfs/dbraw/zinc/08/41/71/750084171.db2.gz QTDUDCHALDVHGT-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948495 750168282 /nfs/dbraw/zinc/16/82/82/750168282.db2.gz ACOVDMLZWQQSBY-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033948495 750168284 /nfs/dbraw/zinc/16/82/84/750168284.db2.gz ACOVDMLZWQQSBY-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014035 750252737 /nfs/dbraw/zinc/25/27/37/750252737.db2.gz UJXMEMKEHRFAQS-CQSZACIVSA-N 2 2 311.857 1.758 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014035 750252743 /nfs/dbraw/zinc/25/27/43/750252743.db2.gz UJXMEMKEHRFAQS-CQSZACIVSA-N 2 2 311.857 1.758 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107620242 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C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052501490 765891247 /nfs/dbraw/zinc/89/12/47/765891247.db2.gz DRZSPFHFYMLPTI-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052501490 765891252 /nfs/dbraw/zinc/89/12/52/765891252.db2.gz DRZSPFHFYMLPTI-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045480742 766337968 /nfs/dbraw/zinc/33/79/68/766337968.db2.gz HBNPEGAEVFRLDP-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001130404874 767500793 /nfs/dbraw/zinc/50/07/93/767500793.db2.gz RCESXYHSNNMVCG-INIZCTEOSA-N 2 2 323.400 1.223 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132532472 768962956 /nfs/dbraw/zinc/96/29/56/768962956.db2.gz DKSSDDOPKLNAAU-CABCVRRESA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132532472 768962963 /nfs/dbraw/zinc/96/29/63/768962963.db2.gz DKSSDDOPKLNAAU-CABCVRRESA-N 2 2 306.410 1.055 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132823534 769228190 /nfs/dbraw/zinc/22/81/90/769228190.db2.gz IBENTLYDZNJERE-RHSMWYFYSA-N 2 2 324.428 1.964 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135584 769520541 /nfs/dbraw/zinc/52/05/41/769520541.db2.gz UIAYOHBCZYPGIQ-YPMHNXCESA-N 2 2 310.829 1.779 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133353558 769736096 /nfs/dbraw/zinc/73/60/96/769736096.db2.gz DRUBCMWYTHXGBW-HOTGVXAUSA-N 2 2 320.437 1.160 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048885077 770045577 /nfs/dbraw/zinc/04/55/77/770045577.db2.gz MEIPYBPOOVPVLY-IYBDPMFKSA-N 2 2 315.417 1.599 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048885077 770045590 /nfs/dbraw/zinc/04/55/90/770045590.db2.gz MEIPYBPOOVPVLY-IYBDPMFKSA-N 2 2 315.417 1.599 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449115 770851285 /nfs/dbraw/zinc/85/12/85/770851285.db2.gz WZSXDCGLANKTPW-GJZGRUSLSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449115 770851299 /nfs/dbraw/zinc/85/12/99/770851299.db2.gz WZSXDCGLANKTPW-GJZGRUSLSA-N 2 2 302.422 1.984 20 30 DDEDLP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135793377 771717356 /nfs/dbraw/zinc/71/73/56/771717356.db2.gz YNPMNRDUEWFAGG-HOTGVXAUSA-N 2 2 324.428 1.877 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086843973 771967170 /nfs/dbraw/zinc/96/71/70/771967170.db2.gz JAYAJSZKYWEZGG-LSDHHAIUSA-N 2 2 323.400 1.389 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004127 773907334 /nfs/dbraw/zinc/90/73/34/773907334.db2.gz WAJHMEGQNBMZTK-LBTNJELSSA-N 2 2 312.417 1.243 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092004127 773907337 /nfs/dbraw/zinc/90/73/37/773907337.db2.gz WAJHMEGQNBMZTK-LBTNJELSSA-N 2 2 312.417 1.243 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001074718291 774083009 /nfs/dbraw/zinc/08/30/09/774083009.db2.gz HJAVCAUDKRBXGU-ZNMIVQPWSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747858 774248125 /nfs/dbraw/zinc/24/81/25/774248125.db2.gz IQRDQYWGKLGLDA-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747858 774248126 /nfs/dbraw/zinc/24/81/26/774248126.db2.gz IQRDQYWGKLGLDA-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734874 774428319 /nfs/dbraw/zinc/42/83/19/774428319.db2.gz ZMCBNXCPGNYXER-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734874 774428320 /nfs/dbraw/zinc/42/83/20/774428320.db2.gz ZMCBNXCPGNYXER-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734874 774428324 /nfs/dbraw/zinc/42/83/24/774428324.db2.gz ZMCBNXCPGNYXER-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734874 774428326 /nfs/dbraw/zinc/42/83/26/774428326.db2.gz ZMCBNXCPGNYXER-ZBFHGGJFSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC001093572895 774846277 /nfs/dbraw/zinc/84/62/77/774846277.db2.gz VKHNMVBZJKAJRF-PBHICJAKSA-N 2 2 321.465 1.062 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC001093572895 774846284 /nfs/dbraw/zinc/84/62/84/774846284.db2.gz VKHNMVBZJKAJRF-PBHICJAKSA-N 2 2 321.465 1.062 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881892 775945004 /nfs/dbraw/zinc/94/50/04/775945004.db2.gz CEEMQFCCYWASKM-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036881892 775945009 /nfs/dbraw/zinc/94/50/09/775945009.db2.gz CEEMQFCCYWASKM-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577538 776349943 /nfs/dbraw/zinc/34/99/43/776349943.db2.gz SXZGKFPQGCVNGM-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577513 776350536 /nfs/dbraw/zinc/35/05/36/776350536.db2.gz SQJQQUXRQRGQEP-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595788 776361011 /nfs/dbraw/zinc/36/10/11/776361011.db2.gz GOOXBDONLIIOBV-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604142 776365947 /nfs/dbraw/zinc/36/59/47/776365947.db2.gz GHZTVEMDSUZZHS-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896737 776508363 /nfs/dbraw/zinc/50/83/63/776508363.db2.gz UEMOLSRWGXVECG-OAHLLOKOSA-N 2 2 304.438 1.641 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488166 777171418 /nfs/dbraw/zinc/17/14/18/777171418.db2.gz PLTLTCMAROIRSS-AEFFLSMTSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488166 777171422 /nfs/dbraw/zinc/17/14/22/777171422.db2.gz PLTLTCMAROIRSS-AEFFLSMTSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162517 778681308 /nfs/dbraw/zinc/68/13/08/778681308.db2.gz AIHUSIOLFDJPCE-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162517 778681314 /nfs/dbraw/zinc/68/13/14/778681314.db2.gz AIHUSIOLFDJPCE-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472274 778883342 /nfs/dbraw/zinc/88/33/42/778883342.db2.gz LTXKRHPXOXKQOH-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472274 778883346 /nfs/dbraw/zinc/88/33/46/778883346.db2.gz LTXKRHPXOXKQOH-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179776684 779474461 /nfs/dbraw/zinc/47/44/61/779474461.db2.gz DTLIMGRNNXNIIX-OAHLLOKOSA-N 2 2 304.438 1.878 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179776684 779474465 /nfs/dbraw/zinc/47/44/65/779474465.db2.gz DTLIMGRNNXNIIX-OAHLLOKOSA-N 2 2 304.438 1.878 20 30 DDEDLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118222172 781065904 /nfs/dbraw/zinc/06/59/04/781065904.db2.gz RNLYTGWIDDZJTE-LBPRGKRZSA-N 2 2 302.369 1.195 20 30 DDEDLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118222172 781065913 /nfs/dbraw/zinc/06/59/13/781065913.db2.gz RNLYTGWIDDZJTE-LBPRGKRZSA-N 2 2 302.369 1.195 20 30 DDEDLP C=CCC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266600553 836520068 /nfs/dbraw/zinc/52/00/68/836520068.db2.gz YXTWTVKWPCAECH-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266600553 836520075 /nfs/dbraw/zinc/52/00/75/836520075.db2.gz YXTWTVKWPCAECH-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047634 837249354 /nfs/dbraw/zinc/24/93/54/837249354.db2.gz PNVWXIWOFATKSL-CQSZACIVSA-N 2 2 303.406 1.647 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585752 838369289 /nfs/dbraw/zinc/36/92/89/838369289.db2.gz BUBNKKYCBGLPAS-GJZGRUSLSA-N 2 2 302.422 1.412 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585752 838369295 /nfs/dbraw/zinc/36/92/95/838369295.db2.gz BUBNKKYCBGLPAS-GJZGRUSLSA-N 2 2 302.422 1.412 20 30 DDEDLP CC#CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001267873631 839109363 /nfs/dbraw/zinc/10/93/63/839109363.db2.gz KHLWDHFHPRMDBF-MAUKXSAKSA-N 2 2 316.449 1.641 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268065511 839638651 /nfs/dbraw/zinc/63/86/51/839638651.db2.gz YYILCKMYRPAJEM-CQSZACIVSA-N 2 2 302.422 1.222 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001268222627 839856008 /nfs/dbraw/zinc/85/60/08/839856008.db2.gz ZHFSJWXKEKGVMP-DLBZAZTESA-N 2 2 323.481 1.546 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001268222627 839856014 /nfs/dbraw/zinc/85/60/14/839856014.db2.gz ZHFSJWXKEKGVMP-DLBZAZTESA-N 2 2 323.481 1.546 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735018 840735370 /nfs/dbraw/zinc/73/53/70/840735370.db2.gz CONFEAGDBKICNN-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735018 840735380 /nfs/dbraw/zinc/73/53/80/840735380.db2.gz CONFEAGDBKICNN-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269078947 841182825 /nfs/dbraw/zinc/18/28/25/841182825.db2.gz AGDRFFPEDCGVCF-IRXDYDNUSA-N 2 2 316.449 1.978 20 30 DDEDLP C#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001270885125 843011662 /nfs/dbraw/zinc/01/16/62/843011662.db2.gz ACJAFSBLGFKESO-UHFFFAOYSA-N 2 2 316.449 1.778 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC001271335619 843504048 /nfs/dbraw/zinc/50/40/48/843504048.db2.gz XCXDIFXTFKFXNB-MRXNPFEDSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC001271335619 843504053 /nfs/dbraw/zinc/50/40/53/843504053.db2.gz XCXDIFXTFKFXNB-MRXNPFEDSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001271449804 843612352 /nfs/dbraw/zinc/61/23/52/843612352.db2.gz RURRFMUSPJZJDB-HOCLYGCPSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000997091461 847333188 /nfs/dbraw/zinc/33/31/88/847333188.db2.gz ADDBGOVBLWWDQA-UHFFFAOYSA-N 2 2 312.417 1.952 20 30 DDEDLP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272807766 847457280 /nfs/dbraw/zinc/45/72/80/847457280.db2.gz AKCOYEPKWIFHTA-OAHLLOKOSA-N 2 2 314.433 1.789 20 30 DDEDLP N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809306 847464540 /nfs/dbraw/zinc/46/45/40/847464540.db2.gz ZAROPVMCDBXTGS-QGZVFWFLSA-N 2 2 313.405 1.365 20 30 DDEDLP N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272809306 847464544 /nfs/dbraw/zinc/46/45/44/847464544.db2.gz ZAROPVMCDBXTGS-QGZVFWFLSA-N 2 2 313.405 1.365 20 30 DDEDLP N#Cc1ccc2cc[nH+]c(NCc3nnn4c3C[NH2+]CCC4)c2c1 ZINC001155394452 862036811 /nfs/dbraw/zinc/03/68/11/862036811.db2.gz UYBCMGZXRDMTJF-UHFFFAOYSA-N 2 2 319.372 1.803 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480695 862262679 /nfs/dbraw/zinc/26/26/79/862262679.db2.gz OXBGXUHGDUIOLD-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480695 862262701 /nfs/dbraw/zinc/26/27/01/862262701.db2.gz OXBGXUHGDUIOLD-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001274036707 851874963 /nfs/dbraw/zinc/87/49/63/851874963.db2.gz QSBIELBGXYXNBM-GOSISDBHSA-N 2 2 313.445 1.982 20 30 DDEDLP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001274036707 851874969 /nfs/dbraw/zinc/87/49/69/851874969.db2.gz QSBIELBGXYXNBM-GOSISDBHSA-N 2 2 313.445 1.982 20 30 DDEDLP N#CCCC[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001274040168 851880760 /nfs/dbraw/zinc/88/07/60/851880760.db2.gz HVSUUVILYUNHRX-KRWDZBQOSA-N 2 2 315.421 1.644 20 30 DDEDLP N#CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001274040168 851880767 /nfs/dbraw/zinc/88/07/67/851880767.db2.gz HVSUUVILYUNHRX-KRWDZBQOSA-N 2 2 315.421 1.644 20 30 DDEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001327596425 862306929 /nfs/dbraw/zinc/30/69/29/862306929.db2.gz UITIEMAKHZPDJD-RDJZCZTQSA-N 2 2 320.437 1.353 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001151242123 862701702 /nfs/dbraw/zinc/70/17/02/862701702.db2.gz KUYRGBUUEALEJN-IYBDPMFKSA-N 2 2 314.433 1.734 20 30 DDEDLP C[NH+](C)C1(CNc2nc(Cl)cnc2C#N)CC[NH+](C)CC1 ZINC001156177058 862777669 /nfs/dbraw/zinc/77/76/69/862777669.db2.gz YZPKBWGOAAXVEH-UHFFFAOYSA-N 2 2 308.817 1.440 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848307 858611927 /nfs/dbraw/zinc/61/19/27/858611927.db2.gz KWNUBJUJMXWBAL-XOGYLQAWSA-N 2 2 314.433 1.875 20 30 DDEDLP C=CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329443367 863669644 /nfs/dbraw/zinc/66/96/44/863669644.db2.gz ZDNJUNQGJNNXOM-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP C=CCC[N@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329443367 863669649 /nfs/dbraw/zinc/66/96/49/863669649.db2.gz ZDNJUNQGJNNXOM-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP N#Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1Cl ZINC001158259401 864524699 /nfs/dbraw/zinc/52/46/99/864524699.db2.gz ROLRITYCSYRVFV-LLVKDONJSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1Cl ZINC001158259401 864524703 /nfs/dbraw/zinc/52/47/03/864524703.db2.gz ROLRITYCSYRVFV-LLVKDONJSA-N 2 2 305.813 1.608 20 30 DDEDLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)cc1C#N ZINC001158267095 864529161 /nfs/dbraw/zinc/52/91/61/864529161.db2.gz ODSUTDPGQHNIOH-CYBMUJFWSA-N 2 2 319.840 1.917 20 30 DDEDLP Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)cc1C#N ZINC001158267095 864529173 /nfs/dbraw/zinc/52/91/73/864529173.db2.gz ODSUTDPGQHNIOH-CYBMUJFWSA-N 2 2 319.840 1.917 20 30 DDEDLP C=C[C@@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320311813 866634167 /nfs/dbraw/zinc/63/41/67/866634167.db2.gz IFJOGYVRWNWCNV-AWEZNQCLSA-N 2 2 324.469 1.045 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439418 866668849 /nfs/dbraw/zinc/66/88/49/866668849.db2.gz PAPUCDJFRGVXAV-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439418 866668859 /nfs/dbraw/zinc/66/88/59/866668859.db2.gz PAPUCDJFRGVXAV-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)on1 ZINC001320756235 867005767 /nfs/dbraw/zinc/00/57/67/867005767.db2.gz RNKGVIJMBHNPTN-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cc(C)on1 ZINC001320756235 867005780 /nfs/dbraw/zinc/00/57/80/867005780.db2.gz RNKGVIJMBHNPTN-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324972568 867672069 /nfs/dbraw/zinc/67/20/69/867672069.db2.gz RBPMJTIPXVLKFY-QGZVFWFLSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324972568 867672076 /nfs/dbraw/zinc/67/20/76/867672076.db2.gz RBPMJTIPXVLKFY-QGZVFWFLSA-N 2 2 320.437 1.373 20 30 DDEDLP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162964083 867954607 /nfs/dbraw/zinc/95/46/07/867954607.db2.gz STYXCQJNWSZFHI-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001162971149 867959554 /nfs/dbraw/zinc/95/95/54/867959554.db2.gz YXOGJYRWKGCTOX-UHFFFAOYSA-N 2 2 310.401 1.246 20 30 DDEDLP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322578692 868257688 /nfs/dbraw/zinc/25/76/88/868257688.db2.gz AKNUPHHKFZCUDP-ZDUSSCGKSA-N 2 2 310.829 1.636 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC001335457298 868312433 /nfs/dbraw/zinc/31/24/33/868312433.db2.gz KNAPXTFPYULPHQ-HNNXBMFYSA-N 2 2 308.447 1.313 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317323085 870641444 /nfs/dbraw/zinc/64/14/44/870641444.db2.gz DUYZRUUMYPKSNQ-HNNXBMFYSA-N 2 2 314.433 1.223 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377893 870738340 /nfs/dbraw/zinc/73/83/40/870738340.db2.gz VUSHGQYXXISYAO-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377893 870738350 /nfs/dbraw/zinc/73/83/50/870738350.db2.gz VUSHGQYXXISYAO-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553075 871059785 /nfs/dbraw/zinc/05/97/85/871059785.db2.gz GKYFTNAOCWVQBV-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553075 871059800 /nfs/dbraw/zinc/05/98/00/871059800.db2.gz GKYFTNAOCWVQBV-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317605550 871186642 /nfs/dbraw/zinc/18/66/42/871186642.db2.gz IAUAUMWNVAMKNW-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCOCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119443 871374501 /nfs/dbraw/zinc/37/45/01/871374501.db2.gz SVDKWPUUZIDGNB-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516038 871599471 /nfs/dbraw/zinc/59/94/71/871599471.db2.gz LUYBIVABAKCHIP-UHFFFAOYSA-N 2 2 301.390 1.094 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341382872 871631907 /nfs/dbraw/zinc/63/19/07/871631907.db2.gz KLCPQMBFGVUAOW-DLBZAZTESA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341382872 871631915 /nfs/dbraw/zinc/63/19/15/871631915.db2.gz KLCPQMBFGVUAOW-DLBZAZTESA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206319287 872206413 /nfs/dbraw/zinc/20/64/13/872206413.db2.gz DOVNQXWPQDBKAX-HZPDHXFCSA-N 2 2 316.449 1.928 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001319654556 872739097 /nfs/dbraw/zinc/73/90/97/872739097.db2.gz GPPLWGUNAMRMQZ-BZUAXINKSA-N 2 2 314.433 1.801 20 30 DDEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001319654556 872739107 /nfs/dbraw/zinc/73/91/07/872739107.db2.gz GPPLWGUNAMRMQZ-BZUAXINKSA-N 2 2 314.433 1.801 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048676 873788059 /nfs/dbraw/zinc/78/80/59/873788059.db2.gz JLUZARWUXMNLRS-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C=CCNC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001277172237 882762069 /nfs/dbraw/zinc/76/20/69/882762069.db2.gz HSIQOODDKBCZIG-SJORKVTESA-N 2 2 317.437 1.803 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084535 873820028 /nfs/dbraw/zinc/82/00/28/873820028.db2.gz QBUMSIIBSRSJCC-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337501 874820993 /nfs/dbraw/zinc/82/09/93/874820993.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337501 874821003 /nfs/dbraw/zinc/82/10/03/874821003.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337501 874821012 /nfs/dbraw/zinc/82/10/12/874821012.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337501 874821021 /nfs/dbraw/zinc/82/10/21/874821021.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 2 304.438 1.991 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209579729 874987726 /nfs/dbraw/zinc/98/77/26/874987726.db2.gz VFEFHHKNZABLPP-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052472 875209136 /nfs/dbraw/zinc/20/91/36/875209136.db2.gz OKNUWTDAIZIOIP-LSDHHAIUSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052472 875209147 /nfs/dbraw/zinc/20/91/47/875209147.db2.gz OKNUWTDAIZIOIP-LSDHHAIUSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211189324 875705565 /nfs/dbraw/zinc/70/55/65/875705565.db2.gz YSQHFSGIKFDBOY-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006588 876537790 /nfs/dbraw/zinc/53/77/90/876537790.db2.gz XKNRSQHNTKTZPZ-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001374240481 912289125 /nfs/dbraw/zinc/28/91/25/912289125.db2.gz CGWWZGDMKIIKNQ-STQMWFEESA-N 2 2 310.829 1.635 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001379989833 878491861 /nfs/dbraw/zinc/49/18/61/878491861.db2.gz NEAPSQIMZBTMGL-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001379989833 878491871 /nfs/dbraw/zinc/49/18/71/878491871.db2.gz NEAPSQIMZBTMGL-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774540 878497257 /nfs/dbraw/zinc/49/72/57/878497257.db2.gz RQLJRTQOIUYGQI-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774540 878497270 /nfs/dbraw/zinc/49/72/70/878497270.db2.gz RQLJRTQOIUYGQI-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774540 878497278 /nfs/dbraw/zinc/49/72/78/878497278.db2.gz RQLJRTQOIUYGQI-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774540 878497290 /nfs/dbraw/zinc/49/72/90/878497290.db2.gz RQLJRTQOIUYGQI-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001276810032 878666023 /nfs/dbraw/zinc/66/60/23/878666023.db2.gz AVQDGCRPIUVZGV-HOCLYGCPSA-N 2 2 320.437 1.432 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230381636 884457913 /nfs/dbraw/zinc/45/79/13/884457913.db2.gz BUZZAQSGFJGQSH-QGZVFWFLSA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277662733 886352315 /nfs/dbraw/zinc/35/23/15/886352315.db2.gz NEYTVABVGZFVCU-DOTOQJQBSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCC=C)CC1 ZINC001278206993 890146504 /nfs/dbraw/zinc/14/65/04/890146504.db2.gz NLKVLCRLTGIVPQ-UHFFFAOYSA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278373451 891756534 /nfs/dbraw/zinc/75/65/34/891756534.db2.gz ZEPAKAJVGIYKHW-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246335906 892546183 /nfs/dbraw/zinc/54/61/83/892546183.db2.gz KARPAQHNHLYFMP-HOTGVXAUSA-N 2 2 302.397 1.638 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246704316 892797436 /nfs/dbraw/zinc/79/74/36/892797436.db2.gz QKAMNICPKQAKJB-ONYGOOLBSA-N 2 2 303.450 1.770 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246704316 892797446 /nfs/dbraw/zinc/79/74/46/892797446.db2.gz QKAMNICPKQAKJB-ONYGOOLBSA-N 2 2 303.450 1.770 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254653992 896549672 /nfs/dbraw/zinc/54/96/72/896549672.db2.gz QZASPMBLHRMVLU-FQUUOJAGSA-N 2 2 308.426 1.605 20 30 DDEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256601225 897499001 /nfs/dbraw/zinc/49/90/01/897499001.db2.gz ORTAVPNONUKYTG-BBRMVZONSA-N 2 2 303.406 1.477 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264481250 901143425 /nfs/dbraw/zinc/14/34/25/901143425.db2.gz PUTMVKQWSBAJIJ-SOUVJXGZSA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001264481250 901143435 /nfs/dbraw/zinc/14/34/35/901143435.db2.gz PUTMVKQWSBAJIJ-SOUVJXGZSA-N 2 2 302.422 1.486 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265359632 901921141 /nfs/dbraw/zinc/92/11/41/901921141.db2.gz ALEZJKYCKTYKCN-RDJZCZTQSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390366 901960296 /nfs/dbraw/zinc/96/02/96/901960296.db2.gz DEYMJRKZZGHHHK-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265390366 901960307 /nfs/dbraw/zinc/96/03/07/901960307.db2.gz DEYMJRKZZGHHHK-HZPDHXFCSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265587012 902166295 /nfs/dbraw/zinc/16/62/95/902166295.db2.gz TXEDBDJRBDVDKM-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265587012 902166303 /nfs/dbraw/zinc/16/63/03/902166303.db2.gz TXEDBDJRBDVDKM-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001265594569 902175908 /nfs/dbraw/zinc/17/59/08/902175908.db2.gz FJRADIQUUOSCRY-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001265594569 902175917 /nfs/dbraw/zinc/17/59/17/902175917.db2.gz FJRADIQUUOSCRY-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C=CCCC[N@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279669406 903379467 /nfs/dbraw/zinc/37/94/67/903379467.db2.gz YQXPTYLAQCTDRK-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CCCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279669406 903379483 /nfs/dbraw/zinc/37/94/83/903379483.db2.gz YQXPTYLAQCTDRK-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001282723809 905983906 /nfs/dbraw/zinc/98/39/06/905983906.db2.gz BFBGIRUSSICZDK-CQSZACIVSA-N 2 2 302.422 1.386 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001282724931 905987779 /nfs/dbraw/zinc/98/77/79/905987779.db2.gz LVYSYXWBAKATDD-AWEZNQCLSA-N 2 2 304.438 1.755 20 30 DDEDLP CC[C@@]1(C)C[NH+](CC#CC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000342134858 529531616 /nfs/dbraw/zinc/53/16/16/529531616.db2.gz SJWLBIXINUJJSF-ROUUACIJSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@@]1(C)C[NH+](CC#CC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000342134858 529531619 /nfs/dbraw/zinc/53/16/19/529531619.db2.gz SJWLBIXINUJJSF-ROUUACIJSA-N 2 2 308.466 1.992 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161312623 539221456 /nfs/dbraw/zinc/22/14/56/539221456.db2.gz RXEVDPBQPLMHFU-UHFFFAOYSA-N 2 2 302.422 1.628 20 30 DDEDLP CCCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181410095 199292754 /nfs/dbraw/zinc/29/27/54/199292754.db2.gz QAMPOOROOXGOBW-UHFFFAOYSA-N 2 2 314.433 1.638 20 30 DDEDLP C[NH+]1CCC(CNC(=O)NCCCC#N)([NH+]2CCCCC2)CC1 ZINC000343983133 530049311 /nfs/dbraw/zinc/04/93/11/530049311.db2.gz ALTCVOFNHLDYDT-UHFFFAOYSA-N 2 2 321.469 1.540 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433011582 530068273 /nfs/dbraw/zinc/06/82/73/530068273.db2.gz GRPFIGHLOSHFPZ-KRWDZBQOSA-N 2 2 314.433 1.785 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H](SCC)C2)CC1 ZINC000081672038 353687185 /nfs/dbraw/zinc/68/71/85/353687185.db2.gz SPBBCPYMBILTNQ-MRXNPFEDSA-N 2 2 323.506 1.371 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H](SCC)C2)CC1 ZINC000081672038 353687190 /nfs/dbraw/zinc/68/71/90/353687190.db2.gz SPBBCPYMBILTNQ-MRXNPFEDSA-N 2 2 323.506 1.371 20 30 DDEDLP C[N@H+](CCC#N)C[C@H](O)CNC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000581007784 354729563 /nfs/dbraw/zinc/72/95/63/354729563.db2.gz ZAEZSCLYLWXPMD-QZTJIDSGSA-N 2 2 322.497 1.579 20 30 DDEDLP C[N@@H+](CCC#N)C[C@H](O)CNC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000581007784 354729566 /nfs/dbraw/zinc/72/95/66/354729566.db2.gz ZAEZSCLYLWXPMD-QZTJIDSGSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581007784 354729568 /nfs/dbraw/zinc/72/95/68/354729568.db2.gz ZAEZSCLYLWXPMD-QZTJIDSGSA-N 2 2 322.497 1.579 20 30 DDEDLP C[NH+](CCC#N)C[C@H](O)CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000581007784 354729571 /nfs/dbraw/zinc/72/95/71/354729571.db2.gz ZAEZSCLYLWXPMD-QZTJIDSGSA-N 2 2 322.497 1.579 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]Cc3c[nH+]c4n3CCC4)CC2)nc1 ZINC000594921363 356355108 /nfs/dbraw/zinc/35/51/08/356355108.db2.gz BWCNPXXFYLEFOX-UHFFFAOYSA-N 2 2 322.416 1.855 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C#N)CCCC3)c2)CC1 ZINC000601803345 358700099 /nfs/dbraw/zinc/70/00/99/358700099.db2.gz GNYRWHSRUXNLIW-UHFFFAOYSA-N 2 2 313.405 1.856 20 30 DDEDLP CN(CC[N@H+](C)Cc1cccc(C#N)n1)C1CC[NH+](C)CC1 ZINC000602655922 359103913 /nfs/dbraw/zinc/10/39/13/359103913.db2.gz IHFUBPCAYUZEAO-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)Cc1cccc(C#N)n1)C1CC[NH+](C)CC1 ZINC000602655922 359103920 /nfs/dbraw/zinc/10/39/20/359103920.db2.gz IHFUBPCAYUZEAO-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(C#N)n1 ZINC000602655922 359103925 /nfs/dbraw/zinc/10/39/25/359103925.db2.gz IHFUBPCAYUZEAO-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(C#N)n1 ZINC000602655922 359103932 /nfs/dbraw/zinc/10/39/32/359103932.db2.gz IHFUBPCAYUZEAO-UHFFFAOYSA-N 2 2 301.438 1.411 20 30 DDEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910613 359701565 /nfs/dbraw/zinc/70/15/65/359701565.db2.gz VMUNTEPTVUJDSQ-RAIGVLPGSA-N 2 2 318.808 1.690 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257823 360277181 /nfs/dbraw/zinc/27/71/81/360277181.db2.gz GUKAOFIBSJRJOF-KRWDZBQOSA-N 2 2 323.400 1.708 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257823 360277184 /nfs/dbraw/zinc/27/71/84/360277184.db2.gz GUKAOFIBSJRJOF-KRWDZBQOSA-N 2 2 323.400 1.708 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609672112 360343121 /nfs/dbraw/zinc/34/31/21/360343121.db2.gz QGMZKOUDQONARN-HZPDHXFCSA-N 2 2 309.373 1.618 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609672112 360343122 /nfs/dbraw/zinc/34/31/22/360343122.db2.gz QGMZKOUDQONARN-HZPDHXFCSA-N 2 2 309.373 1.618 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000611387644 360709780 /nfs/dbraw/zinc/70/97/80/360709780.db2.gz RJGWLIBLHGSNOP-CABCVRRESA-N 2 2 314.433 1.761 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332317151 223212723 /nfs/dbraw/zinc/21/27/23/223212723.db2.gz NSJKTNIFXBFQRV-CABCVRRESA-N 2 2 319.453 1.243 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332317151 223212725 /nfs/dbraw/zinc/21/27/25/223212725.db2.gz NSJKTNIFXBFQRV-CABCVRRESA-N 2 2 319.453 1.243 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625321338 366847939 /nfs/dbraw/zinc/84/79/39/366847939.db2.gz KIJHBKNGEDILFZ-AWEZNQCLSA-N 2 2 302.422 1.521 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000346411657 533240063 /nfs/dbraw/zinc/24/00/63/533240063.db2.gz KPGSSBBZWGZWMX-GOEBONIOSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000346411657 533240070 /nfs/dbraw/zinc/24/00/70/533240070.db2.gz KPGSSBBZWGZWMX-GOEBONIOSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000346411657 533240071 /nfs/dbraw/zinc/24/00/71/533240071.db2.gz KPGSSBBZWGZWMX-GOEBONIOSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000346411657 533240072 /nfs/dbraw/zinc/24/00/72/533240072.db2.gz KPGSSBBZWGZWMX-GOEBONIOSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123857964 407341080 /nfs/dbraw/zinc/34/10/80/407341080.db2.gz ZJJFIGFBSRPDCF-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C ZINC000123857964 407341082 /nfs/dbraw/zinc/34/10/82/407341082.db2.gz ZJJFIGFBSRPDCF-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123857964 407341083 /nfs/dbraw/zinc/34/10/83/407341083.db2.gz ZJJFIGFBSRPDCF-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123857964 407341085 /nfs/dbraw/zinc/34/10/85/407341085.db2.gz ZJJFIGFBSRPDCF-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125253912 407383592 /nfs/dbraw/zinc/38/35/92/407383592.db2.gz BZTCLMJIFBDDCN-GJZGRUSLSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125253912 407383594 /nfs/dbraw/zinc/38/35/94/407383594.db2.gz BZTCLMJIFBDDCN-GJZGRUSLSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125253912 407383595 /nfs/dbraw/zinc/38/35/95/407383595.db2.gz BZTCLMJIFBDDCN-GJZGRUSLSA-N 2 2 314.437 1.343 20 30 DDEDLP C[C@H]1CN(c2nccnc2C#N)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125253912 407383597 /nfs/dbraw/zinc/38/35/97/407383597.db2.gz BZTCLMJIFBDDCN-GJZGRUSLSA-N 2 2 314.437 1.343 20 30 DDEDLP C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171358442 407670270 /nfs/dbraw/zinc/67/02/70/407670270.db2.gz JQAZCSITRDMDOF-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171358442 407670275 /nfs/dbraw/zinc/67/02/75/407670275.db2.gz JQAZCSITRDMDOF-UHFFFAOYSA-N 2 2 300.406 1.154 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000157010512 408286624 /nfs/dbraw/zinc/28/66/24/408286624.db2.gz STOQBIASXSOMTA-DOTOQJQBSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010512 408286631 /nfs/dbraw/zinc/28/66/31/408286631.db2.gz STOQBIASXSOMTA-DOTOQJQBSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010512 408286639 /nfs/dbraw/zinc/28/66/39/408286639.db2.gz STOQBIASXSOMTA-DOTOQJQBSA-N 2 2 314.433 1.611 20 30 DDEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC#N)CC[NH+]1Cc1ccccc1 ZINC000157010512 408286642 /nfs/dbraw/zinc/28/66/42/408286642.db2.gz STOQBIASXSOMTA-DOTOQJQBSA-N 2 2 314.433 1.611 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157111932 408290328 /nfs/dbraw/zinc/29/03/28/408290328.db2.gz ZZAAQXUBBYVNDB-CABCVRRESA-N 2 2 322.453 1.337 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157111932 408290333 /nfs/dbraw/zinc/29/03/33/408290333.db2.gz ZZAAQXUBBYVNDB-CABCVRRESA-N 2 2 322.453 1.337 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000294956951 409307271 /nfs/dbraw/zinc/30/72/71/409307271.db2.gz IZQHRQHCDCMNKD-ZDUSSCGKSA-N 2 2 304.390 1.785 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000294956951 409307273 /nfs/dbraw/zinc/30/72/73/409307273.db2.gz IZQHRQHCDCMNKD-ZDUSSCGKSA-N 2 2 304.390 1.785 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000320457425 409902152 /nfs/dbraw/zinc/90/21/52/409902152.db2.gz YUXJZFFQDWDTEM-IKGGRYGDSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000320457425 409902158 /nfs/dbraw/zinc/90/21/58/409902158.db2.gz YUXJZFFQDWDTEM-IKGGRYGDSA-N 2 2 315.417 1.514 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328611123 409933987 /nfs/dbraw/zinc/93/39/87/409933987.db2.gz OFPZRNCUOCQSTE-KBPBESRZSA-N 2 2 303.410 1.455 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000328611123 409933995 /nfs/dbraw/zinc/93/39/95/409933995.db2.gz OFPZRNCUOCQSTE-KBPBESRZSA-N 2 2 303.410 1.455 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328939600 410016921 /nfs/dbraw/zinc/01/69/21/410016921.db2.gz RZOPHWZBLRQGDA-GDBMZVCRSA-N 2 2 320.437 1.759 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328939600 410016927 /nfs/dbraw/zinc/01/69/27/410016927.db2.gz RZOPHWZBLRQGDA-GDBMZVCRSA-N 2 2 320.437 1.759 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000192229214 222124444 /nfs/dbraw/zinc/12/44/44/222124444.db2.gz MGZUXABPAQTKPT-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000192229214 222124447 /nfs/dbraw/zinc/12/44/47/222124447.db2.gz MGZUXABPAQTKPT-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000192229214 222124448 /nfs/dbraw/zinc/12/44/48/222124448.db2.gz MGZUXABPAQTKPT-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP C#CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000192229214 222124451 /nfs/dbraw/zinc/12/44/51/222124451.db2.gz MGZUXABPAQTKPT-UHFFFAOYSA-N 2 2 313.445 1.594 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246868502 222225299 /nfs/dbraw/zinc/22/52/99/222225299.db2.gz AFZCMJZNCWIEPT-SJLPKXTDSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246868502 222225304 /nfs/dbraw/zinc/22/53/04/222225304.db2.gz AFZCMJZNCWIEPT-SJLPKXTDSA-N 2 2 320.481 1.991 20 30 DDEDLP C[NH+]=C(NCc1cccn1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261990750 222267820 /nfs/dbraw/zinc/26/78/20/222267820.db2.gz REFJJBKYKCKEQL-ZBFHGGJFSA-N 2 2 314.437 1.880 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C[N@@H+]1C1CC1 ZINC000328598885 418605416 /nfs/dbraw/zinc/60/54/16/418605416.db2.gz BNKXRMAITIJLPA-MCIONIFRSA-N 2 2 317.437 1.889 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C[N@H+]1C1CC1 ZINC000328598885 418605417 /nfs/dbraw/zinc/60/54/17/418605417.db2.gz BNKXRMAITIJLPA-MCIONIFRSA-N 2 2 317.437 1.889 20 30 DDEDLP C[NH+]=C(NCc1noc(C)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262010600 222269782 /nfs/dbraw/zinc/26/97/82/222269782.db2.gz WMKHUEYIKNWLKI-WCQYABFASA-N 2 2 317.397 1.233 20 30 DDEDLP C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369480155 418733863 /nfs/dbraw/zinc/73/38/63/418733863.db2.gz KWBOWSRTQBANEX-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369480155 418733865 /nfs/dbraw/zinc/73/38/65/418733865.db2.gz KWBOWSRTQBANEX-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCOCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728476 418737101 /nfs/dbraw/zinc/73/71/01/418737101.db2.gz ZYGPAFTYVCMSJX-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCOCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728476 418737103 /nfs/dbraw/zinc/73/71/03/418737103.db2.gz ZYGPAFTYVCMSJX-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363809868 418769930 /nfs/dbraw/zinc/76/99/30/418769930.db2.gz BZQCUROJQTYJBC-ZBFHGGJFSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363809868 418769932 /nfs/dbraw/zinc/76/99/32/418769932.db2.gz BZQCUROJQTYJBC-ZBFHGGJFSA-N 2 2 306.454 1.208 20 30 DDEDLP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423279131 420001472 /nfs/dbraw/zinc/00/14/72/420001472.db2.gz SEEVNFVZFFKSOL-OAHLLOKOSA-N 3 2 300.450 1.968 20 30 DDEDLP C[C@@H](C#N)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541017284 421784688 /nfs/dbraw/zinc/78/46/88/421784688.db2.gz SIODYYAPIZLHIQ-ZDUSSCGKSA-N 2 2 307.442 1.004 20 30 DDEDLP C=CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573609206 421987509 /nfs/dbraw/zinc/98/75/09/421987509.db2.gz XIYJRDRCMAELLO-HUUCEWRRSA-N 2 2 303.406 1.541 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000577622592 422395713 /nfs/dbraw/zinc/39/57/13/422395713.db2.gz HOFZWUYJULHKNP-KRWDZBQOSA-N 2 2 315.417 1.721 20 30 DDEDLP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600712554 422411862 /nfs/dbraw/zinc/41/18/62/422411862.db2.gz YFHPHRPAZIDDCR-UHFFFAOYSA-N 3 2 316.449 1.348 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365239868 267054533 /nfs/dbraw/zinc/05/45/33/267054533.db2.gz GBECVJGQAHEOAX-QAPCUYQASA-N 2 2 315.465 1.355 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000368028359 275387406 /nfs/dbraw/zinc/38/74/06/275387406.db2.gz CYTJFLUOBOGTTJ-UHFFFAOYSA-N 2 2 311.429 1.406 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1 ZINC000368028359 275387408 /nfs/dbraw/zinc/38/74/08/275387408.db2.gz CYTJFLUOBOGTTJ-UHFFFAOYSA-N 2 2 311.429 1.406 20 30 DDEDLP N#Cc1cccnc1N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000368781537 301089207 /nfs/dbraw/zinc/08/92/07/301089207.db2.gz FRACCXNRETYZTK-UHFFFAOYSA-N 2 2 313.449 1.951 20 30 DDEDLP N#Cc1cccnc1N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000368781537 301089210 /nfs/dbraw/zinc/08/92/10/301089210.db2.gz FRACCXNRETYZTK-UHFFFAOYSA-N 2 2 313.449 1.951 20 30 DDEDLP C=CC[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676310854 486191815 /nfs/dbraw/zinc/19/18/15/486191815.db2.gz MWGMIVBOGMJYPX-UHFFFAOYSA-N 2 2 303.410 1.376 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2C)CC1 ZINC000491776426 526947404 /nfs/dbraw/zinc/94/74/04/526947404.db2.gz FSIACVXRIGDGOM-UHFFFAOYSA-N 2 2 313.445 1.247 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2C)CC1 ZINC000491776426 526947411 /nfs/dbraw/zinc/94/74/11/526947411.db2.gz FSIACVXRIGDGOM-UHFFFAOYSA-N 2 2 313.445 1.247 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2c(C)cccc2C)CC1 ZINC000490949038 526950061 /nfs/dbraw/zinc/95/00/61/526950061.db2.gz ICQVLAKXZGOWMZ-KRWDZBQOSA-N 2 2 313.445 1.731 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000491537003 526984349 /nfs/dbraw/zinc/98/43/49/526984349.db2.gz NNKHCEULXLTILB-GOSISDBHSA-N 2 2 313.445 1.770 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000491537003 526984354 /nfs/dbraw/zinc/98/43/54/526984354.db2.gz NNKHCEULXLTILB-GOSISDBHSA-N 2 2 313.445 1.770 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341123698 527933935 /nfs/dbraw/zinc/93/39/35/527933935.db2.gz INTQNQRUXUNGSA-ZBFHGGJFSA-N 2 2 305.426 1.648 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341123698 527933943 /nfs/dbraw/zinc/93/39/43/527933943.db2.gz INTQNQRUXUNGSA-ZBFHGGJFSA-N 2 2 305.426 1.648 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC000971703554 695069026 /nfs/dbraw/zinc/06/90/26/695069026.db2.gz HRPPEZFTZIGFGY-CABCVRRESA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC000971703554 695069030 /nfs/dbraw/zinc/06/90/30/695069030.db2.gz HRPPEZFTZIGFGY-CABCVRRESA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=C)Cl)C1 ZINC000971703554 695069034 /nfs/dbraw/zinc/06/90/34/695069034.db2.gz HRPPEZFTZIGFGY-CABCVRRESA-N 2 2 309.841 1.369 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=C)Cl)C1 ZINC000971703554 695069039 /nfs/dbraw/zinc/06/90/39/695069039.db2.gz HRPPEZFTZIGFGY-CABCVRRESA-N 2 2 309.841 1.369 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375940 695234304 /nfs/dbraw/zinc/23/43/04/695234304.db2.gz SVDYRINXTBIBGH-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375940 695234307 /nfs/dbraw/zinc/23/43/07/695234307.db2.gz SVDYRINXTBIBGH-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392410 695238312 /nfs/dbraw/zinc/23/83/12/695238312.db2.gz JPXIPFMEYRTIJZ-LZLYRXPVSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392410 695238314 /nfs/dbraw/zinc/23/83/14/695238314.db2.gz JPXIPFMEYRTIJZ-LZLYRXPVSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392410 695238316 /nfs/dbraw/zinc/23/83/16/695238316.db2.gz JPXIPFMEYRTIJZ-LZLYRXPVSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392410 695238317 /nfs/dbraw/zinc/23/83/17/695238317.db2.gz JPXIPFMEYRTIJZ-LZLYRXPVSA-N 2 2 321.465 1.206 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974738602 695722691 /nfs/dbraw/zinc/72/26/91/695722691.db2.gz IWSKIBQYHBVGTH-OAHLLOKOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974738602 695722692 /nfs/dbraw/zinc/72/26/92/695722692.db2.gz IWSKIBQYHBVGTH-OAHLLOKOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981090567 697001855 /nfs/dbraw/zinc/00/18/55/697001855.db2.gz DKDQPXHVDGQBHZ-HZPDHXFCSA-N 2 2 310.401 1.907 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981166417 697024495 /nfs/dbraw/zinc/02/44/95/697024495.db2.gz LVXAHYRTJFFRMZ-CABCVRRESA-N 2 2 301.390 1.283 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067112 697983314 /nfs/dbraw/zinc/98/33/14/697983314.db2.gz LWZWCXGOLGGMFK-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603326 698162004 /nfs/dbraw/zinc/16/20/04/698162004.db2.gz HDNZFFYLEUIFHY-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261989629 698449367 /nfs/dbraw/zinc/44/93/67/698449367.db2.gz RADZYOAZYAQLPE-GJZGRUSLSA-N 2 2 304.442 1.047 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991118128 699238861 /nfs/dbraw/zinc/23/88/61/699238861.db2.gz MGJHLTRVOGTDNZ-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991118128 699238863 /nfs/dbraw/zinc/23/88/63/699238863.db2.gz MGJHLTRVOGTDNZ-SZXPJGKVSA-N 2 2 312.417 1.650 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991469210 699331407 /nfs/dbraw/zinc/33/14/07/699331407.db2.gz DNIZSAJQQPBUGD-RLFYNMQTSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991469210 699331412 /nfs/dbraw/zinc/33/14/12/699331412.db2.gz DNIZSAJQQPBUGD-RLFYNMQTSA-N 2 2 314.433 1.745 20 30 DDEDLP C[NH+](C)CCCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758249879 700694559 /nfs/dbraw/zinc/69/45/59/700694559.db2.gz VJBRUWKWNALIGL-UHFFFAOYSA-N 2 2 302.422 1.731 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(Cl)c(N)c1 ZINC000814923970 701771549 /nfs/dbraw/zinc/77/15/49/701771549.db2.gz SHRWHFWOJSLHLQ-UHFFFAOYSA-N 2 2 310.829 1.958 20 30 DDEDLP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000866259924 706660142 /nfs/dbraw/zinc/66/01/42/706660142.db2.gz IEPDDKMBMGCOFC-OAHLLOKOSA-N 2 2 316.449 1.942 20 30 DDEDLP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000866259924 706660145 /nfs/dbraw/zinc/66/01/45/706660145.db2.gz IEPDDKMBMGCOFC-OAHLLOKOSA-N 2 2 316.449 1.942 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845593362 703179290 /nfs/dbraw/zinc/17/92/90/703179290.db2.gz YIZYGKARNDMDLF-UHFFFAOYSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000883124595 707933961 /nfs/dbraw/zinc/93/39/61/707933961.db2.gz KWXAEERSSNXTNR-MRXNPFEDSA-N 2 2 301.434 1.695 20 30 DDEDLP C#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000886574818 708779486 /nfs/dbraw/zinc/77/94/86/708779486.db2.gz UZSBFMCYNGOFME-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000890371240 709843360 /nfs/dbraw/zinc/84/33/60/709843360.db2.gz QAOOTLMIAXJPPK-HZPDHXFCSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000890371240 709843364 /nfs/dbraw/zinc/84/33/64/709843364.db2.gz QAOOTLMIAXJPPK-HZPDHXFCSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000890371240 709843369 /nfs/dbraw/zinc/84/33/69/709843369.db2.gz QAOOTLMIAXJPPK-HZPDHXFCSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000890371240 709843372 /nfs/dbraw/zinc/84/33/72/709843372.db2.gz QAOOTLMIAXJPPK-HZPDHXFCSA-N 2 2 306.454 1.066 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000894863471 711300642 /nfs/dbraw/zinc/30/06/42/711300642.db2.gz DZQSMBKREHZLHY-UHFFFAOYSA-N 2 2 320.437 1.420 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000894863471 711300645 /nfs/dbraw/zinc/30/06/45/711300645.db2.gz DZQSMBKREHZLHY-UHFFFAOYSA-N 2 2 320.437 1.420 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000913522221 713244748 /nfs/dbraw/zinc/24/47/48/713244748.db2.gz ADBCWZOLNGPCKO-INIZCTEOSA-N 2 2 310.401 1.613 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166278 717119935 /nfs/dbraw/zinc/11/99/35/717119935.db2.gz FDVPJTBVFXYGTA-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166278 717119937 /nfs/dbraw/zinc/11/99/37/717119937.db2.gz FDVPJTBVFXYGTA-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966230583 718475866 /nfs/dbraw/zinc/47/58/66/718475866.db2.gz FZXVYNAPYIMRST-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000966230583 718475867 /nfs/dbraw/zinc/47/58/67/718475867.db2.gz FZXVYNAPYIMRST-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452911 719507021 /nfs/dbraw/zinc/50/70/21/719507021.db2.gz SZIROAOEZXFSKA-RRFJBIMHSA-N 2 2 300.406 1.459 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948452911 719507024 /nfs/dbraw/zinc/50/70/24/719507024.db2.gz SZIROAOEZXFSKA-RRFJBIMHSA-N 2 2 300.406 1.459 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556063 719545196 /nfs/dbraw/zinc/54/51/96/719545196.db2.gz BVPJSJULHQUUPA-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948556063 719545201 /nfs/dbraw/zinc/54/52/01/719545201.db2.gz BVPJSJULHQUUPA-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554895 719662632 /nfs/dbraw/zinc/66/26/32/719662632.db2.gz YKJJJMYUUQQSLI-GDBMZVCRSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554895 719662633 /nfs/dbraw/zinc/66/26/33/719662633.db2.gz YKJJJMYUUQQSLI-GDBMZVCRSA-N 2 2 314.433 1.611 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948898278 719773556 /nfs/dbraw/zinc/77/35/56/719773556.db2.gz HBTZZIOUUOYEJE-MSOLQXFVSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948898278 719773560 /nfs/dbraw/zinc/77/35/60/719773560.db2.gz HBTZZIOUUOYEJE-MSOLQXFVSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898278 719773564 /nfs/dbraw/zinc/77/35/64/719773564.db2.gz HBTZZIOUUOYEJE-MSOLQXFVSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948898278 719773566 /nfs/dbraw/zinc/77/35/66/719773566.db2.gz HBTZZIOUUOYEJE-MSOLQXFVSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925504 719875795 /nfs/dbraw/zinc/87/57/95/719875795.db2.gz FPWDPPLHBXCLGM-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949537036 720146002 /nfs/dbraw/zinc/14/60/02/720146002.db2.gz XASFFBWSIWTOMO-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949537036 720146004 /nfs/dbraw/zinc/14/60/04/720146004.db2.gz XASFFBWSIWTOMO-UHFFFAOYSA-N 2 2 318.421 1.153 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=C)Cl)C2)CC1 ZINC000970922697 720989173 /nfs/dbraw/zinc/98/91/73/720989173.db2.gz AHHPKFVTBCQYTP-CQSZACIVSA-N 2 2 323.868 1.521 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444014 721450394 /nfs/dbraw/zinc/45/03/94/721450394.db2.gz GSGPIIIPMWOLQT-WBVHZDCISA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444014 721450397 /nfs/dbraw/zinc/45/03/97/721450397.db2.gz GSGPIIIPMWOLQT-WBVHZDCISA-N 2 2 303.450 1.559 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691666 738555695 /nfs/dbraw/zinc/55/56/95/738555695.db2.gz RMEWMHWTQDAELR-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691666 738555696 /nfs/dbraw/zinc/55/56/96/738555696.db2.gz RMEWMHWTQDAELR-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121029513 782306228 /nfs/dbraw/zinc/30/62/28/782306228.db2.gz NJTZUMLMQWMXAI-UHFFFAOYSA-N 2 2 302.422 1.935 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001167355575 733282463 /nfs/dbraw/zinc/28/24/63/733282463.db2.gz PXOZCYLFOBJZHJ-UHFFFAOYSA-N 2 2 314.364 1.239 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001022795156 734788929 /nfs/dbraw/zinc/78/89/29/734788929.db2.gz MORHLNFVWLSJGE-IYBDPMFKSA-N 2 2 321.465 1.444 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447857 735243779 /nfs/dbraw/zinc/24/37/79/735243779.db2.gz YUJCFQRQUXZQIN-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447857 735243782 /nfs/dbraw/zinc/24/37/82/735243782.db2.gz YUJCFQRQUXZQIN-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024522090 735897781 /nfs/dbraw/zinc/89/77/81/735897781.db2.gz ZOXWKXJMFCKUTG-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024522090 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ZINC001106309005 745591168 /nfs/dbraw/zinc/59/11/68/745591168.db2.gz LJNFYIRNVDYUQU-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342959 745615699 /nfs/dbraw/zinc/61/56/99/745615699.db2.gz KJEZDKWZJLLRMD-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342959 745615702 /nfs/dbraw/zinc/61/57/02/745615702.db2.gz KJEZDKWZJLLRMD-BPLDGKMQSA-N 2 2 314.433 1.140 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129090 746534258 /nfs/dbraw/zinc/53/42/58/746534258.db2.gz XTUMPXIKMWHRGG-HZPDHXFCSA-N 2 2 322.453 1.405 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129090 746534262 /nfs/dbraw/zinc/53/42/62/746534262.db2.gz XTUMPXIKMWHRGG-HZPDHXFCSA-N 2 2 322.453 1.405 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001007518431 752185651 /nfs/dbraw/zinc/18/56/51/752185651.db2.gz AYZCRKSEPCJWFB-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001007518431 752185653 /nfs/dbraw/zinc/18/56/53/752185653.db2.gz AYZCRKSEPCJWFB-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001007518431 752185655 /nfs/dbraw/zinc/18/56/55/752185655.db2.gz AYZCRKSEPCJWFB-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001007518431 752185658 /nfs/dbraw/zinc/18/56/58/752185658.db2.gz AYZCRKSEPCJWFB-SJORKVTESA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001036121176 752189209 /nfs/dbraw/zinc/18/92/09/752189209.db2.gz CXWQYOFMAOHCGY-YJBOKZPZSA-N 2 2 322.412 1.946 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201041367 748405371 /nfs/dbraw/zinc/40/53/71/748405371.db2.gz CIQGHXGQPJECHT-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C[N@H+](CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1)C1CCC1 ZINC001004455670 748447527 /nfs/dbraw/zinc/44/75/27/748447527.db2.gz FKSXBBAMQVCPIJ-KRWDZBQOSA-N 2 2 318.465 1.697 20 30 DDEDLP C[N@@H+](CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1)C1CCC1 ZINC001004455670 748447529 /nfs/dbraw/zinc/44/75/29/748447529.db2.gz FKSXBBAMQVCPIJ-KRWDZBQOSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C1CCC1 ZINC001004455670 748447530 /nfs/dbraw/zinc/44/75/30/748447530.db2.gz FKSXBBAMQVCPIJ-KRWDZBQOSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C1CCC1 ZINC001004455670 748447532 /nfs/dbraw/zinc/44/75/32/748447532.db2.gz FKSXBBAMQVCPIJ-KRWDZBQOSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C1CC1 ZINC001004456309 748448323 /nfs/dbraw/zinc/44/83/23/748448323.db2.gz DJQVLGMCECXBRA-IAGOWNOFSA-N 2 2 318.465 1.553 20 30 DDEDLP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C1CC1 ZINC001004456309 748448325 /nfs/dbraw/zinc/44/83/25/748448325.db2.gz DJQVLGMCECXBRA-IAGOWNOFSA-N 2 2 318.465 1.553 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001201802015 748606154 /nfs/dbraw/zinc/60/61/54/748606154.db2.gz XSZDQSHLDOLTCN-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201802015 748606157 /nfs/dbraw/zinc/60/61/57/748606157.db2.gz XSZDQSHLDOLTCN-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706341 752286540 /nfs/dbraw/zinc/28/65/40/752286540.db2.gz PLMSYJVMOUUEMW-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706341 752286546 /nfs/dbraw/zinc/28/65/46/752286546.db2.gz PLMSYJVMOUUEMW-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001108093027 748814349 /nfs/dbraw/zinc/81/43/49/748814349.db2.gz QIHFOZMDABRVIR-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001108093027 748814352 /nfs/dbraw/zinc/81/43/52/748814352.db2.gz QIHFOZMDABRVIR-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201333 748909951 /nfs/dbraw/zinc/90/99/51/748909951.db2.gz ANBXBCQMGMOJTP-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201333 748909957 /nfs/dbraw/zinc/90/99/57/748909957.db2.gz ANBXBCQMGMOJTP-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365098 749253655 /nfs/dbraw/zinc/25/36/55/749253655.db2.gz KBMXHXWISLCAFF-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365098 749253658 /nfs/dbraw/zinc/25/36/58/749253658.db2.gz KBMXHXWISLCAFF-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365098 749253660 /nfs/dbraw/zinc/25/36/60/749253660.db2.gz KBMXHXWISLCAFF-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365098 749253662 /nfs/dbraw/zinc/25/36/62/749253662.db2.gz KBMXHXWISLCAFF-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033705145 749741916 /nfs/dbraw/zinc/74/19/16/749741916.db2.gz FMUKQLGJVXDTLF-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033705145 749741921 /nfs/dbraw/zinc/74/19/21/749741921.db2.gz FMUKQLGJVXDTLF-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000996618191 749792222 /nfs/dbraw/zinc/79/22/22/749792222.db2.gz DWOOVVDVDHRFBX-UHFFFAOYSA-N 2 2 316.449 1.919 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032313726 749870835 /nfs/dbraw/zinc/87/08/35/749870835.db2.gz OQSNHMNXPSEMOY-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032313726 749870840 /nfs/dbraw/zinc/87/08/40/749870840.db2.gz OQSNHMNXPSEMOY-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032313726 749870844 /nfs/dbraw/zinc/87/08/44/749870844.db2.gz OQSNHMNXPSEMOY-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032313726 749870849 /nfs/dbraw/zinc/87/08/49/749870849.db2.gz OQSNHMNXPSEMOY-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491576 750047682 /nfs/dbraw/zinc/04/76/82/750047682.db2.gz HBWQZMHYTGIDLU-NVXWUHKLSA-N 2 2 300.406 1.267 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491576 750047689 /nfs/dbraw/zinc/04/76/89/750047689.db2.gz HBWQZMHYTGIDLU-NVXWUHKLSA-N 2 2 300.406 1.267 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116041 750372030 /nfs/dbraw/zinc/37/20/30/750372030.db2.gz YRZMDOFFZCVWCC-SFHVURJKSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116041 750372035 /nfs/dbraw/zinc/37/20/35/750372035.db2.gz YRZMDOFFZCVWCC-SFHVURJKSA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039469341 762059047 /nfs/dbraw/zinc/05/90/47/762059047.db2.gz BEQLVUCJXQEZKK-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039469341 762059054 /nfs/dbraw/zinc/05/90/54/762059054.db2.gz BEQLVUCJXQEZKK-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039469341 762059062 /nfs/dbraw/zinc/05/90/62/762059062.db2.gz BEQLVUCJXQEZKK-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039469341 762059072 /nfs/dbraw/zinc/05/90/72/762059072.db2.gz BEQLVUCJXQEZKK-KFWWJZLASA-N 2 2 311.857 1.756 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414989 750682194 /nfs/dbraw/zinc/68/21/94/750682194.db2.gz LXHUIHYVISEJTO-HOTGVXAUSA-N 2 2 312.417 1.070 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414989 750682197 /nfs/dbraw/zinc/68/21/97/750682197.db2.gz LXHUIHYVISEJTO-HOTGVXAUSA-N 2 2 312.417 1.070 20 30 DDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005637103 750739422 /nfs/dbraw/zinc/73/94/22/750739422.db2.gz BOWJRIQCABTGAI-UHFFFAOYSA-N 2 2 320.437 1.849 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001032484876 750998265 /nfs/dbraw/zinc/99/82/65/750998265.db2.gz QLEOXBASGDFSHV-PMPSAXMXSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189713 751290645 /nfs/dbraw/zinc/29/06/45/751290645.db2.gz AZGJBOLJLZDYTE-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189713 751290647 /nfs/dbraw/zinc/29/06/47/751290647.db2.gz AZGJBOLJLZDYTE-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189713 751290649 /nfs/dbraw/zinc/29/06/49/751290649.db2.gz AZGJBOLJLZDYTE-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189713 751290651 /nfs/dbraw/zinc/29/06/51/751290651.db2.gz AZGJBOLJLZDYTE-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999003018 752443918 /nfs/dbraw/zinc/44/39/18/752443918.db2.gz AHAMYTAMZFFCMD-HSBZDZAISA-N 2 2 322.840 1.777 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999792149 753147884 /nfs/dbraw/zinc/14/78/84/753147884.db2.gz MQOIGKXCFCGSCP-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999792149 753147888 /nfs/dbraw/zinc/14/78/88/753147888.db2.gz MQOIGKXCFCGSCP-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436035 762194679 /nfs/dbraw/zinc/19/46/79/762194679.db2.gz HZQVUDMGWCHYID-RDJZCZTQSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108436035 762194680 /nfs/dbraw/zinc/19/46/80/762194680.db2.gz HZQVUDMGWCHYID-RDJZCZTQSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](F)CC)CC1 ZINC001032800287 754055616 /nfs/dbraw/zinc/05/56/16/754055616.db2.gz FWKPZEWJUVKFMJ-ULQDDVLXSA-N 2 2 321.440 1.365 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](F)CC)CC1 ZINC001032800287 754055623 /nfs/dbraw/zinc/05/56/23/754055623.db2.gz FWKPZEWJUVKFMJ-ULQDDVLXSA-N 2 2 321.440 1.365 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000864093 762278615 /nfs/dbraw/zinc/27/86/15/762278615.db2.gz WLQAGIWFIRFMSY-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000864093 762278624 /nfs/dbraw/zinc/27/86/24/762278624.db2.gz WLQAGIWFIRFMSY-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789397 755574654 /nfs/dbraw/zinc/57/46/54/755574654.db2.gz CAZSXIGIZMVTDI-UKRRQHHQSA-N 2 2 319.474 1.883 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789397 755574657 /nfs/dbraw/zinc/57/46/57/755574657.db2.gz CAZSXIGIZMVTDI-UKRRQHHQSA-N 2 2 319.474 1.883 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991869 755667932 /nfs/dbraw/zinc/66/79/32/755667932.db2.gz VACXLSJMOVWABP-QLFBSQMISA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991869 755667935 /nfs/dbraw/zinc/66/79/35/755667935.db2.gz VACXLSJMOVWABP-QLFBSQMISA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000444 756064114 /nfs/dbraw/zinc/06/41/14/756064114.db2.gz PSIYJHUAZSIAOB-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000444 756064121 /nfs/dbraw/zinc/06/41/21/756064121.db2.gz PSIYJHUAZSIAOB-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040422404 762531185 /nfs/dbraw/zinc/53/11/85/762531185.db2.gz MQPHNBPSWGQYHT-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040422404 762531192 /nfs/dbraw/zinc/53/11/92/762531192.db2.gz MQPHNBPSWGQYHT-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465590 757581896 /nfs/dbraw/zinc/58/18/96/757581896.db2.gz PSDQJTOQWLJLCN-HLLBOEOZSA-N 2 2 314.433 1.554 20 30 DDEDLP 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765894207 /nfs/dbraw/zinc/89/42/07/765894207.db2.gz GFVJCZPGZBKADN-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504245 765894214 /nfs/dbraw/zinc/89/42/14/765894214.db2.gz GFVJCZPGZBKADN-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001045487451 766344978 /nfs/dbraw/zinc/34/49/78/766344978.db2.gz YMBNGJMHHXXGOO-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001130266034 767402611 /nfs/dbraw/zinc/40/26/11/767402611.db2.gz JFMUHTJSMAOJEE-UHFFFAOYSA-N 2 2 319.368 1.954 20 30 DDEDLP C=CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046331006 767430143 /nfs/dbraw/zinc/43/01/43/767430143.db2.gz ZJCCQDMTJAUVNL-RDJZCZTQSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046331006 767430146 /nfs/dbraw/zinc/43/01/46/767430146.db2.gz ZJCCQDMTJAUVNL-RDJZCZTQSA-N 2 2 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C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435185 767563229 /nfs/dbraw/zinc/56/32/29/767563229.db2.gz YVKIYNXJGFZODU-WMLDXEAASA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)ccc1F ZINC001132079586 768609672 /nfs/dbraw/zinc/60/96/72/768609672.db2.gz CLOJRDVKNHTYPH-UHFFFAOYSA-N 2 2 315.352 1.190 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071223792 769164052 /nfs/dbraw/zinc/16/40/52/769164052.db2.gz UTHNDTFANDZYOB-WMLDXEAASA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071223792 769164057 /nfs/dbraw/zinc/16/40/57/769164057.db2.gz UTHNDTFANDZYOB-WMLDXEAASA-N 2 2 318.421 1.220 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527825 769568794 /nfs/dbraw/zinc/56/87/94/769568794.db2.gz JRKBPVCBMRHKHE-HUUCEWRRSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527825 769568801 /nfs/dbraw/zinc/56/88/01/769568801.db2.gz JRKBPVCBMRHKHE-HUUCEWRRSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628559 769745647 /nfs/dbraw/zinc/74/56/47/769745647.db2.gz QSYQQZTYSSLXCR-KBPBESRZSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628559 769745659 /nfs/dbraw/zinc/74/56/59/769745659.db2.gz QSYQQZTYSSLXCR-KBPBESRZSA-N 2 2 318.421 1.342 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccn2cc(N)[nH+]c2c1 ZINC001171070611 772222860 /nfs/dbraw/zinc/22/28/60/772222860.db2.gz GADXFZITZJDZIM-ZDUSSCGKSA-N 2 2 317.393 1.555 20 30 DDEDLP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001146780093 772936541 /nfs/dbraw/zinc/93/65/41/772936541.db2.gz UALNOVLUWSKGOD-IAGOWNOFSA-N 2 2 324.428 1.808 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325510 774947628 /nfs/dbraw/zinc/94/76/28/774947628.db2.gz WEGZQFUAGOVYDU-INIZCTEOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099325510 774947631 /nfs/dbraw/zinc/94/76/31/774947631.db2.gz WEGZQFUAGOVYDU-INIZCTEOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881706 775945670 /nfs/dbraw/zinc/94/56/70/775945670.db2.gz ZXJCEMINUVVKMK-ZBFHGGJFSA-N 2 2 300.406 1.207 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881706 775945678 /nfs/dbraw/zinc/94/56/78/775945678.db2.gz ZXJCEMINUVVKMK-ZBFHGGJFSA-N 2 2 300.406 1.207 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528484 776276434 /nfs/dbraw/zinc/27/64/34/776276434.db2.gz DKBWOKYEMICUGS-UHFFFAOYSA-N 2 2 304.438 1.803 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171597259 776362113 /nfs/dbraw/zinc/36/21/13/776362113.db2.gz WXIDFBAUJKVNRV-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Br)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174684091 777551066 /nfs/dbraw/zinc/55/10/66/777551066.db2.gz YYXNYHPSAJUQLR-UHFFFAOYSA-N 2 2 315.215 1.265 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083673 777862195 /nfs/dbraw/zinc/86/21/95/777862195.db2.gz REHRRUHZEWLBID-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083673 777862205 /nfs/dbraw/zinc/86/22/05/777862205.db2.gz REHRRUHZEWLBID-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517539 778918497 /nfs/dbraw/zinc/91/84/97/778918497.db2.gz RQQWPKVOVYHAEE-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517539 778918502 /nfs/dbraw/zinc/91/85/02/778918502.db2.gz RQQWPKVOVYHAEE-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517539 778918507 /nfs/dbraw/zinc/91/85/07/778918507.db2.gz RQQWPKVOVYHAEE-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517539 778918513 /nfs/dbraw/zinc/91/85/13/778918513.db2.gz RQQWPKVOVYHAEE-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178872238 779207264 /nfs/dbraw/zinc/20/72/64/779207264.db2.gz POBVIIVYNCLKDR-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001266414801 836225754 /nfs/dbraw/zinc/22/57/54/836225754.db2.gz KBWHDTYZEIVCKM-GDBMZVCRSA-N 2 2 302.422 1.506 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267861650 839092893 /nfs/dbraw/zinc/09/28/93/839092893.db2.gz CFOSSEOOYVLYIK-DYVFJYSZSA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267861650 839092903 /nfs/dbraw/zinc/09/29/03/839092903.db2.gz CFOSSEOOYVLYIK-DYVFJYSZSA-N 2 2 302.422 1.486 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001268039456 839522139 /nfs/dbraw/zinc/52/21/39/839522139.db2.gz UVOUFUJBZKAPGT-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730948 840727018 /nfs/dbraw/zinc/72/70/18/840727018.db2.gz KIPRVWBMEIHVQB-XJKSGUPXSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730948 840727024 /nfs/dbraw/zinc/72/70/24/840727024.db2.gz KIPRVWBMEIHVQB-XJKSGUPXSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730948 840727029 /nfs/dbraw/zinc/72/70/29/840727029.db2.gz KIPRVWBMEIHVQB-XJKSGUPXSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730948 840727036 /nfs/dbraw/zinc/72/70/36/840727036.db2.gz KIPRVWBMEIHVQB-XJKSGUPXSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001269861898 842113309 /nfs/dbraw/zinc/11/33/09/842113309.db2.gz OCZDCWBQGCURIA-DOTOQJQBSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001269861898 842113322 /nfs/dbraw/zinc/11/33/22/842113322.db2.gz OCZDCWBQGCURIA-DOTOQJQBSA-N 2 2 321.465 1.349 20 30 DDEDLP C[C@@H](C#N)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270508752 842630212 /nfs/dbraw/zinc/63/02/12/842630212.db2.gz VYJHKDWQUUVVSZ-UAGQMJEPSA-N 2 2 315.421 1.594 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001271005727 843128391 /nfs/dbraw/zinc/12/83/91/843128391.db2.gz SYFAFBXRBKIYGS-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001271558435 843695940 /nfs/dbraw/zinc/69/59/40/843695940.db2.gz NGWHMFYDDJPVDU-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC=C)C1 ZINC001034250266 848159525 /nfs/dbraw/zinc/15/95/25/848159525.db2.gz RLIORNWJSMQJGB-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC=C)C1 ZINC001034250266 848159526 /nfs/dbraw/zinc/15/95/26/848159526.db2.gz RLIORNWJSMQJGB-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC=C)C1 ZINC001034250266 848159528 /nfs/dbraw/zinc/15/95/28/848159528.db2.gz RLIORNWJSMQJGB-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC=C)C1 ZINC001034250266 848159530 /nfs/dbraw/zinc/15/95/30/848159530.db2.gz RLIORNWJSMQJGB-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276718 848231963 /nfs/dbraw/zinc/23/19/63/848231963.db2.gz RFUUYIUFGIRQKH-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276718 848231970 /nfs/dbraw/zinc/23/19/70/848231970.db2.gz RFUUYIUFGIRQKH-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001327407444 862145880 /nfs/dbraw/zinc/14/58/80/862145880.db2.gz OVCRAEOYAHATEU-HUUCEWRRSA-N 2 2 309.454 1.108 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001327407447 862146503 /nfs/dbraw/zinc/14/65/03/862146503.db2.gz OVCRAEOYAHATEU-LSDHHAIUSA-N 2 2 309.454 1.108 20 30 DDEDLP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001273729068 851281239 /nfs/dbraw/zinc/28/12/39/851281239.db2.gz GZOAEDGLLMILIX-OAHLLOKOSA-N 2 2 318.421 1.117 20 30 DDEDLP C#CC[NH+]1CCC(CCCCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001273815182 851369862 /nfs/dbraw/zinc/36/98/62/851369862.db2.gz XWVHZRMPOBUIFL-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001275955991 854013079 /nfs/dbraw/zinc/01/30/79/854013079.db2.gz CEDKEISBDWFDEQ-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001275955991 854013082 /nfs/dbraw/zinc/01/30/82/854013082.db2.gz CEDKEISBDWFDEQ-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001151406356 862758258 /nfs/dbraw/zinc/75/82/58/862758258.db2.gz DLDNTEBEWKMFAH-UHFFFAOYSA-N 2 2 320.437 1.434 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673171 857582457 /nfs/dbraw/zinc/58/24/57/857582457.db2.gz CTTUGOKDTCHLJO-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673171 857582460 /nfs/dbraw/zinc/58/24/60/857582460.db2.gz CTTUGOKDTCHLJO-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072735496 857654457 /nfs/dbraw/zinc/65/44/57/857654457.db2.gz DVXNFSLOOPCJRY-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072735496 857654458 /nfs/dbraw/zinc/65/44/58/857654458.db2.gz DVXNFSLOOPCJRY-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857305 860167832 /nfs/dbraw/zinc/16/78/32/860167832.db2.gz RCJWKUAKHNWBMQ-ZIAGYGMSSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329440380 863667260 /nfs/dbraw/zinc/66/72/60/863667260.db2.gz GYURHXHRLVHVIA-AWEZNQCLSA-N 2 2 302.422 1.222 20 30 DDEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329440380 863667265 /nfs/dbraw/zinc/66/72/65/863667265.db2.gz GYURHXHRLVHVIA-AWEZNQCLSA-N 2 2 302.422 1.222 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153476959 863905901 /nfs/dbraw/zinc/90/59/01/863905901.db2.gz BFQAAESEQAWOTJ-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153476959 863905908 /nfs/dbraw/zinc/90/59/08/863905908.db2.gz BFQAAESEQAWOTJ-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153476959 863905915 /nfs/dbraw/zinc/90/59/15/863905915.db2.gz BFQAAESEQAWOTJ-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP C=CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001153476959 863905919 /nfs/dbraw/zinc/90/59/19/863905919.db2.gz BFQAAESEQAWOTJ-CZUORRHYSA-N 2 2 319.453 1.803 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001153488014 863909168 /nfs/dbraw/zinc/90/91/68/863909168.db2.gz ZZWNZPGQVHKMGB-UHFFFAOYSA-N 2 2 316.792 1.294 20 30 DDEDLP C=CC[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001332848950 866186575 /nfs/dbraw/zinc/18/65/75/866186575.db2.gz SYLTZIVGCUICLR-HNNXBMFYSA-N 2 2 320.437 1.042 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001323150684 866387596 /nfs/dbraw/zinc/38/75/96/866387596.db2.gz QYSKCIYKCSTFIT-HOTGVXAUSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001323468059 866629639 /nfs/dbraw/zinc/62/96/39/866629639.db2.gz KYFPTUUCKAWLGB-HNNXBMFYSA-N 2 2 302.422 1.732 20 30 DDEDLP C=CCC[NH2+]CCN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320743513 866996985 /nfs/dbraw/zinc/99/69/85/866996985.db2.gz KHTJHRCBNKMHIQ-UHFFFAOYSA-N 2 2 304.438 1.776 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001324482611 867304263 /nfs/dbraw/zinc/30/42/63/867304263.db2.gz NCZKBWMVLPWMKS-INIZCTEOSA-N 2 2 302.422 1.630 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC001324482611 867304273 /nfs/dbraw/zinc/30/42/73/867304273.db2.gz NCZKBWMVLPWMKS-INIZCTEOSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636636 869665551 /nfs/dbraw/zinc/66/55/51/869665551.db2.gz DNHSFYFZDBKWDU-INIZCTEOSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317059262 870183241 /nfs/dbraw/zinc/18/32/41/870183241.db2.gz QDKFOEXCZMWKHM-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377895 870739702 /nfs/dbraw/zinc/73/97/02/870739702.db2.gz VUSHGQYXXISYAO-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377895 870739705 /nfs/dbraw/zinc/73/97/05/870739705.db2.gz VUSHGQYXXISYAO-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317541658 871033494 /nfs/dbraw/zinc/03/34/94/871033494.db2.gz YXEGDQPRZWCEEO-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317541658 871033518 /nfs/dbraw/zinc/03/35/18/871033518.db2.gz YXEGDQPRZWCEEO-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP C=CCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001317880995 871617589 /nfs/dbraw/zinc/61/75/89/871617589.db2.gz BUEFKRJDTYXVLE-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001317880995 871617597 /nfs/dbraw/zinc/61/75/97/871617597.db2.gz BUEFKRJDTYXVLE-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316807470 872082595 /nfs/dbraw/zinc/08/25/95/872082595.db2.gz YUJFIVQHBOKGOZ-HNNXBMFYSA-N 2 2 320.437 1.468 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316807470 872082614 /nfs/dbraw/zinc/08/26/14/872082614.db2.gz YUJFIVQHBOKGOZ-HNNXBMFYSA-N 2 2 320.437 1.468 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319321524 872573709 /nfs/dbraw/zinc/57/37/09/872573709.db2.gz DKBCHMHFCPRPAD-HNNXBMFYSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319321524 872573729 /nfs/dbraw/zinc/57/37/29/872573729.db2.gz DKBCHMHFCPRPAD-HNNXBMFYSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321524 872573745 /nfs/dbraw/zinc/57/37/45/872573745.db2.gz DKBCHMHFCPRPAD-HNNXBMFYSA-N 2 2 311.470 1.357 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321524 872573760 /nfs/dbraw/zinc/57/37/60/872573760.db2.gz DKBCHMHFCPRPAD-HNNXBMFYSA-N 2 2 311.470 1.357 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447444 874148388 /nfs/dbraw/zinc/14/83/88/874148388.db2.gz NLRSIEIIGRXYMF-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450273 874151138 /nfs/dbraw/zinc/15/11/38/874151138.db2.gz CIYSPESAAQZXMT-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001378302486 874648807 /nfs/dbraw/zinc/64/88/07/874648807.db2.gz WXCFBOANXDLZOZ-OAHLLOKOSA-N 2 2 311.389 1.508 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001276625239 874746659 /nfs/dbraw/zinc/74/66/59/874746659.db2.gz UCYVXOVSLOWONU-HNNXBMFYSA-N 2 2 320.437 1.290 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001276625239 874746669 /nfs/dbraw/zinc/74/66/69/874746669.db2.gz UCYVXOVSLOWONU-HNNXBMFYSA-N 2 2 320.437 1.290 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351944 874836401 /nfs/dbraw/zinc/83/64/01/874836401.db2.gz WDNZUYFZEUYZQB-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351944 874836421 /nfs/dbraw/zinc/83/64/21/874836421.db2.gz WDNZUYFZEUYZQB-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351944 874836432 /nfs/dbraw/zinc/83/64/32/874836432.db2.gz WDNZUYFZEUYZQB-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351944 874836452 /nfs/dbraw/zinc/83/64/52/874836452.db2.gz WDNZUYFZEUYZQB-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209866106 875150242 /nfs/dbraw/zinc/15/02/42/875150242.db2.gz NZSZAYZZDLBRFK-HOTGVXAUSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210052463 875209432 /nfs/dbraw/zinc/20/94/32/875209432.db2.gz OKNUWTDAIZIOIP-CABCVRRESA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210052463 875209445 /nfs/dbraw/zinc/20/94/45/875209445.db2.gz OKNUWTDAIZIOIP-CABCVRRESA-N 2 2 320.437 1.372 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccn1 ZINC001276687772 875467174 /nfs/dbraw/zinc/46/71/74/875467174.db2.gz GUGKHKUWILVQJU-ZNXRZULTSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccn1 ZINC001276687772 875467176 /nfs/dbraw/zinc/46/71/76/875467176.db2.gz GUGKHKUWILVQJU-ZNXRZULTSA-N 2 2 313.449 1.600 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214945925 876517093 /nfs/dbraw/zinc/51/70/93/876517093.db2.gz CPKZJQMMJDAHDI-UKRRQHHQSA-N 2 2 302.422 1.386 20 30 DDEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CCn1cc[nH+]c1 ZINC001379404322 877000572 /nfs/dbraw/zinc/00/05/72/877000572.db2.gz NQNYXHQWCQONPO-CQSZACIVSA-N 2 2 311.389 1.439 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001276810026 878666667 /nfs/dbraw/zinc/66/66/67/878666667.db2.gz AVQDGCRPIUVZGV-GDBMZVCRSA-N 2 2 320.437 1.432 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230628886 884668385 /nfs/dbraw/zinc/66/83/85/884668385.db2.gz KXTCKLZJDZWFAZ-INIZCTEOSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230628886 884668390 /nfs/dbraw/zinc/66/83/90/884668390.db2.gz KXTCKLZJDZWFAZ-INIZCTEOSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230628886 884668397 /nfs/dbraw/zinc/66/83/97/884668397.db2.gz KXTCKLZJDZWFAZ-INIZCTEOSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230628886 884668407 /nfs/dbraw/zinc/66/84/07/884668407.db2.gz KXTCKLZJDZWFAZ-INIZCTEOSA-N 2 2 306.454 1.553 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277883538 888191721 /nfs/dbraw/zinc/19/17/21/888191721.db2.gz JYAGTKWBFKWLIG-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323486 890586693 /nfs/dbraw/zinc/58/66/93/890586693.db2.gz FBWWPGWLTCSEOA-MSOLQXFVSA-N 2 2 317.433 1.634 20 30 DDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323486 890586698 /nfs/dbraw/zinc/58/66/98/890586698.db2.gz FBWWPGWLTCSEOA-MSOLQXFVSA-N 2 2 317.433 1.634 20 30 DDEDLP C=CCCCCCC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019810 892345260 /nfs/dbraw/zinc/34/52/60/892345260.db2.gz AMBMMHOEGISLGQ-SQNIBIBYSA-N 2 2 309.498 1.900 20 30 DDEDLP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246596834 892722848 /nfs/dbraw/zinc/72/28/48/892722848.db2.gz YUZJTZKKDCPMJS-VYDXJSESSA-N 2 2 302.397 1.725 20 30 DDEDLP CC[C@@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261207929 899421282 /nfs/dbraw/zinc/42/12/82/899421282.db2.gz XBVNNHWWTZRTSU-CQSZACIVSA-N 2 2 308.401 1.272 20 30 DDEDLP C=CCC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001280864091 904129734 /nfs/dbraw/zinc/12/97/34/904129734.db2.gz JMSSFMWBYSTEJC-UHFFFAOYSA-N 2 2 311.470 1.454 20 30 DDEDLP C=CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001280864091 904129741 /nfs/dbraw/zinc/12/97/41/904129741.db2.gz JMSSFMWBYSTEJC-UHFFFAOYSA-N 2 2 311.470 1.454 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611474 904940872 /nfs/dbraw/zinc/94/08/72/904940872.db2.gz RXFGBOBVJURGBP-ZWKOTPCHSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611474 904940882 /nfs/dbraw/zinc/94/08/82/904940882.db2.gz RXFGBOBVJURGBP-ZWKOTPCHSA-N 2 2 313.445 1.845 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001372238740 906788408 /nfs/dbraw/zinc/78/84/08/906788408.db2.gz HGVOWEXMMGIURC-CQSZACIVSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001372238740 906788415 /nfs/dbraw/zinc/78/84/15/906788415.db2.gz HGVOWEXMMGIURC-CQSZACIVSA-N 2 2 301.862 1.907 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665251 907767560 /nfs/dbraw/zinc/76/75/60/907767560.db2.gz JGDMAGYJABTXEN-DOTOQJQBSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283665251 907767565 /nfs/dbraw/zinc/76/75/65/907767565.db2.gz JGDMAGYJABTXEN-DOTOQJQBSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC001284045142 908377606 /nfs/dbraw/zinc/37/76/06/908377606.db2.gz MVAURLXAFNLDLX-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC001284045142 908377624 /nfs/dbraw/zinc/37/76/24/908377624.db2.gz MVAURLXAFNLDLX-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC001284045142 908377644 /nfs/dbraw/zinc/37/76/44/908377644.db2.gz MVAURLXAFNLDLX-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC001284045142 908377659 /nfs/dbraw/zinc/37/76/59/908377659.db2.gz MVAURLXAFNLDLX-SOLBZPMBSA-N 2 2 321.465 1.396 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397129638 915239142 /nfs/dbraw/zinc/23/91/42/915239142.db2.gz LWQIPCVHIUUFJF-SAZUREKKSA-N 2 2 323.400 1.508 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328796302 539299112 /nfs/dbraw/zinc/29/91/12/539299112.db2.gz UQHNDGIGEDVAJF-CABCVRRESA-N 2 2 317.437 1.850 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328796302 539299113 /nfs/dbraw/zinc/29/91/13/539299113.db2.gz UQHNDGIGEDVAJF-CABCVRRESA-N 2 2 317.437 1.850 20 30 DDEDLP COC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000272628293 210030116 /nfs/dbraw/zinc/03/01/16/210030116.db2.gz AFMMWYWMEJRCOR-SFHVURJKSA-N 2 2 317.433 1.774 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000598699736 357693651 /nfs/dbraw/zinc/69/36/51/357693651.db2.gz IKKRMBYPOHNDDO-QGZVFWFLSA-N 2 2 316.449 1.936 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000598699204 357694107 /nfs/dbraw/zinc/69/41/07/357694107.db2.gz CTCOMVIEKRQADQ-HNNXBMFYSA-N 2 2 302.422 1.941 20 30 DDEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602446745 358982692 /nfs/dbraw/zinc/98/26/92/358982692.db2.gz IWVPADIVSRCLOP-INIZCTEOSA-N 2 2 317.433 1.989 20 30 DDEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602446745 358982696 /nfs/dbraw/zinc/98/26/96/358982696.db2.gz IWVPADIVSRCLOP-INIZCTEOSA-N 2 2 317.433 1.989 20 30 DDEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602866165 359250385 /nfs/dbraw/zinc/25/03/85/359250385.db2.gz YWJIBZWXPVRPMB-MRXNPFEDSA-N 2 2 314.433 1.531 20 30 DDEDLP C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602866104 359250605 /nfs/dbraw/zinc/25/06/05/359250605.db2.gz YOAHISBCMIEGLY-AWEZNQCLSA-N 2 2 316.405 1.349 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000330201388 223085586 /nfs/dbraw/zinc/08/55/86/223085586.db2.gz XRXMGMALMRDTTN-GXTWGEPZSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000330201388 223085589 /nfs/dbraw/zinc/08/55/89/223085589.db2.gz XRXMGMALMRDTTN-GXTWGEPZSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000330201388 223085591 /nfs/dbraw/zinc/08/55/91/223085591.db2.gz XRXMGMALMRDTTN-GXTWGEPZSA-N 2 2 303.410 1.352 20 30 DDEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000330201388 223085593 /nfs/dbraw/zinc/08/55/93/223085593.db2.gz XRXMGMALMRDTTN-GXTWGEPZSA-N 2 2 303.410 1.352 20 30 DDEDLP [O-]C(NCC1CC[NH+](C2CC2)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330236957 223092701 /nfs/dbraw/zinc/09/27/01/223092701.db2.gz HLMCYMXOMJDOJI-CQSZACIVSA-N 2 2 317.437 1.576 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC[NH+](C2CC2)CC1 ZINC000330236957 223092702 /nfs/dbraw/zinc/09/27/02/223092702.db2.gz HLMCYMXOMJDOJI-CQSZACIVSA-N 2 2 317.437 1.576 20 30 DDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000093159803 193209594 /nfs/dbraw/zinc/20/95/94/193209594.db2.gz WSOMDOILEVDXSA-SFHVURJKSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000093159803 193209595 /nfs/dbraw/zinc/20/95/95/193209595.db2.gz WSOMDOILEVDXSA-SFHVURJKSA-N 2 2 311.429 1.383 20 30 DDEDLP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001120469240 781965123 /nfs/dbraw/zinc/96/51/23/781965123.db2.gz QYWGDQDKXHIWOY-MRXNPFEDSA-N 2 2 300.406 1.817 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)cs1 ZINC000084182039 407084804 /nfs/dbraw/zinc/08/48/04/407084804.db2.gz WUWYEZBSNIIXOD-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)cs1 ZINC000084182039 407084806 /nfs/dbraw/zinc/08/48/06/407084806.db2.gz WUWYEZBSNIIXOD-UHFFFAOYSA-N 2 2 320.462 1.718 20 30 DDEDLP Cn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000180031350 407848412 /nfs/dbraw/zinc/84/84/12/407848412.db2.gz ZSHDEKIVCQXSSD-UHFFFAOYSA-N 2 2 306.373 1.945 20 30 DDEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841674 407954735 /nfs/dbraw/zinc/95/47/35/407954735.db2.gz GSZXLHLUCISKOE-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841674 407954741 /nfs/dbraw/zinc/95/47/41/407954741.db2.gz GSZXLHLUCISKOE-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841674 407954746 /nfs/dbraw/zinc/95/47/46/407954746.db2.gz GSZXLHLUCISKOE-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841674 407954752 /nfs/dbraw/zinc/95/47/52/407954752.db2.gz GSZXLHLUCISKOE-OAHLLOKOSA-N 2 2 300.406 1.770 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cnc(C#N)cn3)CC2)CC1 ZINC000274639087 408479510 /nfs/dbraw/zinc/47/95/10/408479510.db2.gz CWFQGTBPCHJTLH-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000264514177 408517459 /nfs/dbraw/zinc/51/74/59/408517459.db2.gz UTAOWLDTYOWMEP-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571902 409494443 /nfs/dbraw/zinc/49/44/43/409494443.db2.gz SNGNPXYLMNLWJT-ZBFHGGJFSA-N 2 2 310.405 1.260 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571902 409494450 /nfs/dbraw/zinc/49/44/50/409494450.db2.gz SNGNPXYLMNLWJT-ZBFHGGJFSA-N 2 2 310.405 1.260 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328802778 409981767 /nfs/dbraw/zinc/98/17/67/409981767.db2.gz GVQGYHFWTMYYIH-MRXNPFEDSA-N 2 2 319.453 1.769 20 30 DDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3(C#N)CC3)CC2)CC1 ZINC000329223343 410175111 /nfs/dbraw/zinc/17/51/11/410175111.db2.gz XWJPVWAUMINMJC-UHFFFAOYSA-N 2 2 304.438 1.166 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000373992199 418480433 /nfs/dbraw/zinc/48/04/33/418480433.db2.gz KUMRFBVLTONFQC-LSDHHAIUSA-N 2 2 304.438 1.909 20 30 DDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262442833 222280618 /nfs/dbraw/zinc/28/06/18/222280618.db2.gz HZNQJKNSEQXEAR-AWEZNQCLSA-N 2 2 315.425 1.072 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCOc2ccccc21 ZINC000262548460 222285659 /nfs/dbraw/zinc/28/56/59/222285659.db2.gz WQVSHDBEEFLAIG-AWEZNQCLSA-N 2 2 320.462 1.463 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCOc2ccccc21 ZINC000262548462 222286099 /nfs/dbraw/zinc/28/60/99/222286099.db2.gz WQVSHDBEEFLAIG-CQSZACIVSA-N 2 2 320.462 1.463 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100335 222318682 /nfs/dbraw/zinc/31/86/82/222318682.db2.gz MQZOADGWEDCQDR-SWLSCSKDSA-N 2 2 308.426 1.237 20 30 DDEDLP CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267001866 222366170 /nfs/dbraw/zinc/36/61/70/222366170.db2.gz HPKYLIIHXIYEPA-GFCCVEGCSA-N 2 2 306.410 1.300 20 30 DDEDLP CCCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267004391 222366470 /nfs/dbraw/zinc/36/64/70/222366470.db2.gz IZMSCPURCUDFST-UHFFFAOYSA-N 2 2 306.410 1.301 20 30 DDEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377793565 418714893 /nfs/dbraw/zinc/71/48/93/418714893.db2.gz SVRMWNFCBFBTCL-HNNXBMFYSA-N 2 2 306.454 1.553 20 30 DDEDLP CN(C(=O)CC(C)(C)C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377793565 418714895 /nfs/dbraw/zinc/71/48/95/418714895.db2.gz SVRMWNFCBFBTCL-HNNXBMFYSA-N 2 2 306.454 1.553 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277156 418731367 /nfs/dbraw/zinc/73/13/67/418731367.db2.gz KQJPKSGJFSGFMN-HUUCEWRRSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277156 418731369 /nfs/dbraw/zinc/73/13/69/418731369.db2.gz KQJPKSGJFSGFMN-HUUCEWRRSA-N 2 2 309.454 1.252 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393500 418754117 /nfs/dbraw/zinc/75/41/17/418754117.db2.gz NPKYBDQPVXJILT-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393500 418754119 /nfs/dbraw/zinc/75/41/19/418754119.db2.gz NPKYBDQPVXJILT-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393500 418754121 /nfs/dbraw/zinc/75/41/21/418754121.db2.gz NPKYBDQPVXJILT-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000362393500 418754123 /nfs/dbraw/zinc/75/41/23/418754123.db2.gz NPKYBDQPVXJILT-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000371033290 418757695 /nfs/dbraw/zinc/75/76/95/418757695.db2.gz ACZWHCZJFWPSJQ-VPSFDDGASA-N 2 2 318.465 1.351 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000371033290 418757698 /nfs/dbraw/zinc/75/76/98/418757698.db2.gz ACZWHCZJFWPSJQ-VPSFDDGASA-N 2 2 318.465 1.351 20 30 DDEDLP C[NH+]1CCN(C[C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)CC1 ZINC000364350218 418776098 /nfs/dbraw/zinc/77/60/98/418776098.db2.gz DEHJEVJKOWLIRF-QGZVFWFLSA-N 2 2 322.497 1.655 20 30 DDEDLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)CC1 ZINC000364350218 418776101 /nfs/dbraw/zinc/77/61/01/418776101.db2.gz DEHJEVJKOWLIRF-QGZVFWFLSA-N 2 2 322.497 1.655 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368964323 418726404 /nfs/dbraw/zinc/72/64/04/418726404.db2.gz FRKLYFZBYWMPTJ-IUODEOHRSA-N 2 2 322.478 1.554 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368964323 418726406 /nfs/dbraw/zinc/72/64/06/418726406.db2.gz FRKLYFZBYWMPTJ-IUODEOHRSA-N 2 2 322.478 1.554 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000424133118 228232999 /nfs/dbraw/zinc/23/29/99/228232999.db2.gz IZEQPMNUNHNENL-MRXNPFEDSA-N 2 2 316.405 1.478 20 30 DDEDLP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449605982 421037158 /nfs/dbraw/zinc/03/71/58/421037158.db2.gz XMWLNTJCRGCSQY-AWEZNQCLSA-N 2 2 314.433 1.637 20 30 DDEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NC ZINC000449769187 421078859 /nfs/dbraw/zinc/07/88/59/421078859.db2.gz CWILWCLJJABRDS-KRWDZBQOSA-N 2 2 314.433 1.637 20 30 DDEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000565651180 421599081 /nfs/dbraw/zinc/59/90/81/421599081.db2.gz MLLCSNZMMHRIPD-DLBZAZTESA-N 2 2 303.406 1.696 20 30 DDEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000565651180 421599084 /nfs/dbraw/zinc/59/90/84/421599084.db2.gz MLLCSNZMMHRIPD-DLBZAZTESA-N 2 2 303.406 1.696 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC001120588900 782041233 /nfs/dbraw/zinc/04/12/33/782041233.db2.gz HYZDLCAPQWWNGZ-MOPGFXCFSA-N 2 2 316.445 1.548 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330285968 288300358 /nfs/dbraw/zinc/30/03/58/288300358.db2.gz ZLITXJKGJAGGFU-MGPQQGTHSA-N 2 2 303.410 1.280 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330285968 288300359 /nfs/dbraw/zinc/30/03/59/288300359.db2.gz ZLITXJKGJAGGFU-MGPQQGTHSA-N 2 2 303.410 1.280 20 30 DDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000573317271 308236875 /nfs/dbraw/zinc/23/68/75/308236875.db2.gz DLDDQMBSWZGLQH-JHJVBQTASA-N 2 2 309.435 1.179 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000527048399 336281065 /nfs/dbraw/zinc/28/10/65/336281065.db2.gz HLZGAJRNNGOQIM-CYBMUJFWSA-N 2 2 301.394 1.471 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cn1 ZINC000582615103 337114831 /nfs/dbraw/zinc/11/48/31/337114831.db2.gz PRPCEVSUHCJNOP-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cn1 ZINC000582615103 337114832 /nfs/dbraw/zinc/11/48/32/337114832.db2.gz PRPCEVSUHCJNOP-IXDOHACOSA-N 2 2 300.406 1.637 20 30 DDEDLP C=CCCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000677360643 486448528 /nfs/dbraw/zinc/44/85/28/486448528.db2.gz BMABHHLKTBFJDU-SJPCQFCGSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000677360643 486448531 /nfs/dbraw/zinc/44/85/31/486448531.db2.gz BMABHHLKTBFJDU-SJPCQFCGSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000490866749 526895279 /nfs/dbraw/zinc/89/52/79/526895279.db2.gz SWUJAQKQUUTYPG-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000490866749 526895289 /nfs/dbraw/zinc/89/52/89/526895289.db2.gz SWUJAQKQUUTYPG-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000491038752 526950785 /nfs/dbraw/zinc/95/07/85/526950785.db2.gz LBVFVFVYTSMQOW-UHFFFAOYSA-N 2 2 323.440 1.311 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000491038752 526950790 /nfs/dbraw/zinc/95/07/90/526950790.db2.gz LBVFVFVYTSMQOW-UHFFFAOYSA-N 2 2 323.440 1.311 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208074 696707858 /nfs/dbraw/zinc/70/78/58/696707858.db2.gz MRLBGIOZTFSSSO-ARFHVFGLSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208074 696707861 /nfs/dbraw/zinc/70/78/61/696707861.db2.gz MRLBGIOZTFSSSO-ARFHVFGLSA-N 2 2 314.433 1.203 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972303349 695211849 /nfs/dbraw/zinc/21/18/49/695211849.db2.gz JZBNKUVTFOSJKS-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 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OVMARWOUXXIFQK-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000981771159 696910030 /nfs/dbraw/zinc/91/00/30/696910030.db2.gz OVMARWOUXXIFQK-UHFFFAOYSA-N 2 2 322.412 1.814 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086741 697026583 /nfs/dbraw/zinc/02/65/83/697026583.db2.gz JSOMBZRXXSSINM-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086741 697026586 /nfs/dbraw/zinc/02/65/86/697026586.db2.gz JSOMBZRXXSSINM-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984960074 697445398 /nfs/dbraw/zinc/44/53/98/697445398.db2.gz YVEGLAXLNAXGAP-SAZUREKKSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000986296644 697770486 /nfs/dbraw/zinc/77/04/86/697770486.db2.gz SAYHHLIDTCFLOS-HIFRSBDPSA-N 2 2 302.422 1.527 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987441340 698118127 /nfs/dbraw/zinc/11/81/27/698118127.db2.gz PSQIKELLZBSNFE-GXTWGEPZSA-N 2 2 310.829 1.684 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989486827 698640720 /nfs/dbraw/zinc/64/07/20/698640720.db2.gz GOZZKJXVWINTGF-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989825707 698783626 /nfs/dbraw/zinc/78/36/26/698783626.db2.gz JPVCKXWFAVQTTD-HIFRSBDPSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989825707 698783630 /nfs/dbraw/zinc/78/36/30/698783630.db2.gz JPVCKXWFAVQTTD-HIFRSBDPSA-N 2 2 317.458 1.318 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990119612 698960964 /nfs/dbraw/zinc/96/09/64/698960964.db2.gz CVGFAGIPOKOFQY-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990119612 698960965 /nfs/dbraw/zinc/96/09/65/698960965.db2.gz CVGFAGIPOKOFQY-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990119612 698960966 /nfs/dbraw/zinc/96/09/66/698960966.db2.gz CVGFAGIPOKOFQY-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990119612 698960967 /nfs/dbraw/zinc/96/09/67/698960967.db2.gz CVGFAGIPOKOFQY-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365639241 699051085 /nfs/dbraw/zinc/05/10/85/699051085.db2.gz PVYAGZQHZOVWDR-GJZGRUSLSA-N 2 2 317.437 1.608 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365639241 699051088 /nfs/dbraw/zinc/05/10/88/699051088.db2.gz PVYAGZQHZOVWDR-GJZGRUSLSA-N 2 2 317.437 1.608 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000729355808 699477561 /nfs/dbraw/zinc/47/75/61/699477561.db2.gz XVBILHFCCVZADU-QGZVFWFLSA-N 2 2 305.466 1.664 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000730271122 699505499 /nfs/dbraw/zinc/50/54/99/699505499.db2.gz LJVAYBQZMXVVRL-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000730271122 699505501 /nfs/dbraw/zinc/50/55/01/699505501.db2.gz LJVAYBQZMXVVRL-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000730271122 699505503 /nfs/dbraw/zinc/50/55/03/699505503.db2.gz LJVAYBQZMXVVRL-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000730271122 699505504 /nfs/dbraw/zinc/50/55/04/699505504.db2.gz LJVAYBQZMXVVRL-MSOLQXFVSA-N 2 2 311.429 1.475 20 30 DDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000763233740 700930468 /nfs/dbraw/zinc/93/04/68/700930468.db2.gz NRCQSSKNVBHJOZ-IIDMSEBBSA-N 2 2 317.433 1.681 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000852857507 704150059 /nfs/dbraw/zinc/15/00/59/704150059.db2.gz VTPIRMYLZQSJHF-UHFFFAOYSA-N 2 2 312.417 1.301 20 30 DDEDLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)Cn1cc[nH+]c1 ZINC000876731084 705844693 /nfs/dbraw/zinc/84/46/93/705844693.db2.gz NLMYKWNRFCXZDE-DYVFJYSZSA-N 2 2 323.400 1.394 20 30 DDEDLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1O ZINC000895162308 711438335 /nfs/dbraw/zinc/43/83/35/711438335.db2.gz JYCKOCXSXQZNDY-INIZCTEOSA-N 2 2 303.406 1.621 20 30 DDEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccnc1 ZINC000905550441 712074499 /nfs/dbraw/zinc/07/44/99/712074499.db2.gz IUZNRIZYZWDAFN-JKSUJKDBSA-N 2 2 302.422 1.719 20 30 DDEDLP C#CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000914198113 713357804 /nfs/dbraw/zinc/35/78/04/713357804.db2.gz SQDAXTBVNWXYHA-CQSZACIVSA-N 2 2 303.410 1.011 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923429329 714353066 /nfs/dbraw/zinc/35/30/66/714353066.db2.gz ZNZVBOUBLQFRSY-WBVHZDCISA-N 2 2 315.417 1.562 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000923561040 714404240 /nfs/dbraw/zinc/40/42/40/714404240.db2.gz PXDKQCBSAFVBRK-GOSISDBHSA-N 2 2 322.412 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000923561040 714404243 /nfs/dbraw/zinc/40/42/43/714404243.db2.gz PXDKQCBSAFVBRK-GOSISDBHSA-N 2 2 322.412 1.759 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000959895116 716340299 /nfs/dbraw/zinc/34/02/99/716340299.db2.gz OWEBDELTAZWQJF-QLPKVWCKSA-N 2 2 308.385 1.326 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000959895116 716340305 /nfs/dbraw/zinc/34/03/05/716340305.db2.gz OWEBDELTAZWQJF-QLPKVWCKSA-N 2 2 308.385 1.326 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960649505 716646711 /nfs/dbraw/zinc/64/67/11/716646711.db2.gz REWONLWXTRGTBC-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960649505 716646713 /nfs/dbraw/zinc/64/67/13/716646713.db2.gz REWONLWXTRGTBC-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960649505 716646720 /nfs/dbraw/zinc/64/67/20/716646720.db2.gz REWONLWXTRGTBC-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960649505 716646722 /nfs/dbraw/zinc/64/67/22/716646722.db2.gz REWONLWXTRGTBC-SZOQZIPDSA-N 2 2 314.433 1.446 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942533176 717725743 /nfs/dbraw/zinc/72/57/43/717725743.db2.gz WSUUMZZHAVUGNE-QAPCUYQASA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942533176 717725744 /nfs/dbraw/zinc/72/57/44/717725744.db2.gz 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VAKHMKRXDVLHEJ-KBPBESRZSA-N 2 2 302.422 1.844 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797892 740054876 /nfs/dbraw/zinc/05/48/76/740054876.db2.gz VAKHMKRXDVLHEJ-KGLIPLIRSA-N 2 2 302.422 1.844 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028797892 740054879 /nfs/dbraw/zinc/05/48/79/740054879.db2.gz VAKHMKRXDVLHEJ-KGLIPLIRSA-N 2 2 302.422 1.844 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040472041 751507796 /nfs/dbraw/zinc/50/77/96/751507796.db2.gz VOADKXULYHUQQT-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040472041 751507800 /nfs/dbraw/zinc/50/78/00/751507800.db2.gz VOADKXULYHUQQT-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001029342825 740582681 /nfs/dbraw/zinc/58/26/81/740582681.db2.gz IJFZFNGLPACWCG-BBWFWOEESA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029342825 740582682 /nfs/dbraw/zinc/58/26/82/740582682.db2.gz IJFZFNGLPACWCG-BBWFWOEESA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001029342825 740582684 /nfs/dbraw/zinc/58/26/84/740582684.db2.gz IJFZFNGLPACWCG-BBWFWOEESA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001029342825 740582685 /nfs/dbraw/zinc/58/26/85/740582685.db2.gz IJFZFNGLPACWCG-BBWFWOEESA-N 2 2 303.450 1.415 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630289 740683926 /nfs/dbraw/zinc/68/39/26/740683926.db2.gz CBEONYLQKSYDEW-HRCADAONSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630289 740683927 /nfs/dbraw/zinc/68/39/27/740683927.db2.gz CBEONYLQKSYDEW-HRCADAONSA-N 2 2 314.433 1.438 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187458 741100474 /nfs/dbraw/zinc/10/04/74/741100474.db2.gz ZCKAFQRMMOMQSD-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187458 741100476 /nfs/dbraw/zinc/10/04/76/741100476.db2.gz ZCKAFQRMMOMQSD-CVEARBPZSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001088395577 741459294 /nfs/dbraw/zinc/45/92/94/741459294.db2.gz KPVQSYWZNQJMTP-CABCVRRESA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001088395577 741459297 /nfs/dbraw/zinc/45/92/97/741459297.db2.gz KPVQSYWZNQJMTP-CABCVRRESA-N 2 2 302.422 1.582 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088413412 741472460 /nfs/dbraw/zinc/47/24/60/741472460.db2.gz FWDQCBJLFHGQAG-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679804 742073563 /nfs/dbraw/zinc/07/35/63/742073563.db2.gz YMBFCBKCLCWKDN-YCPHGPKFSA-N 2 2 300.406 1.048 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001088679804 742073566 /nfs/dbraw/zinc/07/35/66/742073566.db2.gz YMBFCBKCLCWKDN-YCPHGPKFSA-N 2 2 300.406 1.048 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304351 742648448 /nfs/dbraw/zinc/64/84/48/742648448.db2.gz JQEAVIJCKRWBSQ-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304351 742648453 /nfs/dbraw/zinc/64/84/53/742648453.db2.gz JQEAVIJCKRWBSQ-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181952349 743408367 /nfs/dbraw/zinc/40/83/67/743408367.db2.gz VKHRTZFZZUDTHL-RVKKMQEKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035730296 751822757 /nfs/dbraw/zinc/82/27/57/751822757.db2.gz NXXLFEAOINCNBD-UHFFFAOYSA-N 2 2 314.433 1.484 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855929 743738556 /nfs/dbraw/zinc/73/85/56/743738556.db2.gz LYESGKJSKIMHIG-CKEIUWERSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855929 743738557 /nfs/dbraw/zinc/73/85/57/743738557.db2.gz LYESGKJSKIMHIG-CKEIUWERSA-N 2 2 302.422 1.296 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183576770 743862611 /nfs/dbraw/zinc/86/26/11/743862611.db2.gz SIZQTSQCSIMYSU-OAHLLOKOSA-N 2 2 319.405 1.026 20 30 DDEDLP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183596260 743867336 /nfs/dbraw/zinc/86/73/36/743867336.db2.gz LNZPCYMNYPTWCA-NVXWUHKLSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788552 744285899 /nfs/dbraw/zinc/28/58/99/744285899.db2.gz ONRHNHXBRVTTOW-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035844632 751940802 /nfs/dbraw/zinc/94/08/02/751940802.db2.gz RZIHBDFUSYKUPO-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(C)C[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001030965581 744979798 /nfs/dbraw/zinc/97/97/98/744979798.db2.gz MYFIXMMUCXOGBY-UHFFFAOYSA-N 2 2 301.434 1.781 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989659 745397070 /nfs/dbraw/zinc/39/70/70/745397070.db2.gz SFZZYNQTWOZIPB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190989659 745397073 /nfs/dbraw/zinc/39/70/73/745397073.db2.gz SFZZYNQTWOZIPB-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223781 745417605 /nfs/dbraw/zinc/41/76/05/745417605.db2.gz MSSKAVKUWFWFLV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223781 745417607 /nfs/dbraw/zinc/41/76/07/745417607.db2.gz MSSKAVKUWFWFLV-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239590 746312311 /nfs/dbraw/zinc/31/23/11/746312311.db2.gz JFDXFZFXDYFTSX-LSDHHAIUSA-N 2 2 302.422 1.866 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001036036561 752142933 /nfs/dbraw/zinc/14/29/33/752142933.db2.gz YCNUNKVNUWKMCS-CJNGLKHVSA-N 2 2 310.401 1.716 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424725 748418720 /nfs/dbraw/zinc/41/87/20/748418720.db2.gz KVAYLRUVCTYITR-MRXNPFEDSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004424725 748418724 /nfs/dbraw/zinc/41/87/24/748418724.db2.gz KVAYLRUVCTYITR-MRXNPFEDSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870026 748497364 /nfs/dbraw/zinc/49/73/64/748497364.db2.gz PMGGSFFGPDNHEM-SVGFKBNWSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870026 748497368 /nfs/dbraw/zinc/49/73/68/748497368.db2.gz PMGGSFFGPDNHEM-SVGFKBNWSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482507 748533980 /nfs/dbraw/zinc/53/39/80/748533980.db2.gz JDZIFDMDBONFQI-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153511 748648187 /nfs/dbraw/zinc/64/81/87/748648187.db2.gz VURGWMFXPKFKEG-HUUCEWRRSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153511 748648192 /nfs/dbraw/zinc/64/81/92/748648192.db2.gz VURGWMFXPKFKEG-HUUCEWRRSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577598 748728910 /nfs/dbraw/zinc/72/89/10/748728910.db2.gz QRDZBAFYUHTHKK-FPCVCCKLSA-N 2 2 314.433 1.751 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577598 748728915 /nfs/dbraw/zinc/72/89/15/748728915.db2.gz QRDZBAFYUHTHKK-FPCVCCKLSA-N 2 2 314.433 1.751 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001039396498 761995866 /nfs/dbraw/zinc/99/58/66/761995866.db2.gz TWJWPGOEKAARIZ-UXLLHSPISA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001039396498 761995868 /nfs/dbraw/zinc/99/58/68/761995868.db2.gz TWJWPGOEKAARIZ-UXLLHSPISA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033881771 750048777 /nfs/dbraw/zinc/04/87/77/750048777.db2.gz VATVLQZKTMUICK-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033881771 750048784 /nfs/dbraw/zinc/04/87/84/750048784.db2.gz VATVLQZKTMUICK-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089896422 750158574 /nfs/dbraw/zinc/15/85/74/750158574.db2.gz MOZKPNLDGXWMAC-JKQORVJESA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089896422 750158578 /nfs/dbraw/zinc/15/85/78/750158578.db2.gz MOZKPNLDGXWMAC-JKQORVJESA-N 2 2 314.433 1.615 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000996858682 750221903 /nfs/dbraw/zinc/22/19/03/750221903.db2.gz QQOIVIIBMDNUHA-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996858682 750221906 /nfs/dbraw/zinc/22/19/06/750221906.db2.gz QQOIVIIBMDNUHA-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413358 750667124 /nfs/dbraw/zinc/66/71/24/750667124.db2.gz GLHVYQSRUBBXBK-ILXRZTDVSA-N 2 2 302.422 1.868 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413358 750667126 /nfs/dbraw/zinc/66/71/26/750667126.db2.gz GLHVYQSRUBBXBK-ILXRZTDVSA-N 2 2 302.422 1.868 20 30 DDEDLP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005608764 750698652 /nfs/dbraw/zinc/69/86/52/750698652.db2.gz YJDAYEOKHKQMOF-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005626018 750720258 /nfs/dbraw/zinc/72/02/58/750720258.db2.gz VDDLQNGAPSHNCO-CQSZACIVSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005626014 750720293 /nfs/dbraw/zinc/72/02/93/750720293.db2.gz VDDLQNGAPSHNCO-AWEZNQCLSA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488498 751035911 /nfs/dbraw/zinc/03/59/11/751035911.db2.gz JFFIZROCJRJKLX-IRXDYDNUSA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488498 751035917 /nfs/dbraw/zinc/03/59/17/751035917.db2.gz JFFIZROCJRJKLX-IRXDYDNUSA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032488498 751035923 /nfs/dbraw/zinc/03/59/23/751035923.db2.gz JFFIZROCJRJKLX-IRXDYDNUSA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488498 751035930 /nfs/dbraw/zinc/03/59/30/751035930.db2.gz JFFIZROCJRJKLX-IRXDYDNUSA-N 2 2 317.477 1.948 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419079 762114869 /nfs/dbraw/zinc/11/48/69/762114869.db2.gz AUITXDINDQEFEL-GOSISDBHSA-N 2 2 321.465 1.093 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419079 762114872 /nfs/dbraw/zinc/11/48/72/762114872.db2.gz AUITXDINDQEFEL-GOSISDBHSA-N 2 2 321.465 1.093 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001036274896 752345346 /nfs/dbraw/zinc/34/53/46/752345346.db2.gz DMALVHRYZXAMIZ-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999007177 752431646 /nfs/dbraw/zinc/43/16/46/752431646.db2.gz KVJGVMLUPUCZON-DNOWBOINSA-N 2 2 322.840 1.777 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703363 752760732 /nfs/dbraw/zinc/76/07/32/752760732.db2.gz RLIGKPNMLPSGLC-HOTGVXAUSA-N 2 2 309.373 1.352 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703363 752760734 /nfs/dbraw/zinc/76/07/34/752760734.db2.gz RLIGKPNMLPSGLC-HOTGVXAUSA-N 2 2 309.373 1.352 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001078660808 754258638 /nfs/dbraw/zinc/25/86/38/754258638.db2.gz OYJWFUHSQRNDCH-HZPDHXFCSA-N 2 2 308.385 1.827 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078735259 754332053 /nfs/dbraw/zinc/33/20/53/754332053.db2.gz ZNUWQUUXWFGGEN-QWHCGFSZSA-N 2 2 308.813 1.722 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470911 755931119 /nfs/dbraw/zinc/93/11/19/755931119.db2.gz CYQJSUXLOMVKMF-KBUPBQIOSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470911 755931122 /nfs/dbraw/zinc/93/11/22/755931122.db2.gz CYQJSUXLOMVKMF-KBUPBQIOSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040238040 762452668 /nfs/dbraw/zinc/45/26/68/762452668.db2.gz YAVWGRHLAHCRFF-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040238040 762452672 /nfs/dbraw/zinc/45/26/72/762452672.db2.gz YAVWGRHLAHCRFF-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040238040 762452675 /nfs/dbraw/zinc/45/26/75/762452675.db2.gz YAVWGRHLAHCRFF-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040238040 762452678 /nfs/dbraw/zinc/45/26/78/762452678.db2.gz YAVWGRHLAHCRFF-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097319539 757089964 /nfs/dbraw/zinc/08/99/64/757089964.db2.gz KHXLHPPGKUMFTO-KFWWJZLASA-N 2 2 302.422 1.834 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097319539 757089974 /nfs/dbraw/zinc/08/99/74/757089974.db2.gz KHXLHPPGKUMFTO-KFWWJZLASA-N 2 2 302.422 1.834 20 30 DDEDLP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016851942 757408263 /nfs/dbraw/zinc/40/82/63/757408263.db2.gz SCEOJYQYJHWYFR-OAHLLOKOSA-N 2 2 302.422 1.889 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC=C)C[C@H]21 ZINC001084417844 757540058 /nfs/dbraw/zinc/54/00/58/757540058.db2.gz ICQIGGGMIHTROW-IXDOHACOSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC=C)C[C@H]21 ZINC001084417844 757540063 /nfs/dbraw/zinc/54/00/63/757540063.db2.gz ICQIGGGMIHTROW-IXDOHACOSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC=C)C[C@H]21 ZINC001084417844 757540068 /nfs/dbraw/zinc/54/00/68/757540068.db2.gz ICQIGGGMIHTROW-IXDOHACOSA-N 2 2 301.434 1.193 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC=C)C[C@H]21 ZINC001084417844 757540077 /nfs/dbraw/zinc/54/00/77/757540077.db2.gz ICQIGGGMIHTROW-IXDOHACOSA-N 2 2 301.434 1.193 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406577 757564409 /nfs/dbraw/zinc/56/44/09/757564409.db2.gz SLEDRZKQULZNBE-RBSFLKMASA-N 2 2 300.406 1.479 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406577 757564419 /nfs/dbraw/zinc/56/44/19/757564419.db2.gz SLEDRZKQULZNBE-RBSFLKMASA-N 2 2 300.406 1.479 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052724958 757689702 /nfs/dbraw/zinc/68/97/02/757689702.db2.gz GBMZVBAAEUIHOV-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001052724958 757689709 /nfs/dbraw/zinc/68/97/09/757689709.db2.gz GBMZVBAAEUIHOV-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097986 758147983 /nfs/dbraw/zinc/14/79/83/758147983.db2.gz IYHAGKZEASCNDG-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053097986 758147988 /nfs/dbraw/zinc/14/79/88/758147988.db2.gz IYHAGKZEASCNDG-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)CCO2 ZINC001053327330 758377171 /nfs/dbraw/zinc/37/71/71/758377171.db2.gz AVJKHUZKWOVLAZ-UHFFFAOYSA-N 2 2 319.449 1.104 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052399 758508115 /nfs/dbraw/zinc/50/81/15/758508115.db2.gz OBPUHNJLAYPGGK-WCXIOVBPSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052399 758508117 /nfs/dbraw/zinc/50/81/17/758508117.db2.gz OBPUHNJLAYPGGK-WCXIOVBPSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052399 758508122 /nfs/dbraw/zinc/50/81/22/758508122.db2.gz OBPUHNJLAYPGGK-WCXIOVBPSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052399 758508127 /nfs/dbraw/zinc/50/81/27/758508127.db2.gz OBPUHNJLAYPGGK-WCXIOVBPSA-N 2 2 303.450 1.865 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174372 758601690 /nfs/dbraw/zinc/60/16/90/758601690.db2.gz BFYSEAOKXJXGSM-VQHPVUNQSA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174372 758601699 /nfs/dbraw/zinc/60/16/99/758601699.db2.gz BFYSEAOKXJXGSM-VQHPVUNQSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018301469 758712105 /nfs/dbraw/zinc/71/21/05/758712105.db2.gz LCCHKLUZQLGVEC-WNKDZCFJSA-N 2 2 303.450 1.558 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018301469 758712110 /nfs/dbraw/zinc/71/21/10/758712110.db2.gz LCCHKLUZQLGVEC-WNKDZCFJSA-N 2 2 303.450 1.558 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001018301469 758712114 /nfs/dbraw/zinc/71/21/14/758712114.db2.gz LCCHKLUZQLGVEC-WNKDZCFJSA-N 2 2 303.450 1.558 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001018301469 758712117 /nfs/dbraw/zinc/71/21/17/758712117.db2.gz LCCHKLUZQLGVEC-WNKDZCFJSA-N 2 2 303.450 1.558 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018314738 758724206 /nfs/dbraw/zinc/72/42/06/758724206.db2.gz VTJUPUHHSACNDW-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018314738 758724210 /nfs/dbraw/zinc/72/42/10/758724210.db2.gz VTJUPUHHSACNDW-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018314738 758724216 /nfs/dbraw/zinc/72/42/16/758724216.db2.gz VTJUPUHHSACNDW-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018314738 758724222 /nfs/dbraw/zinc/72/42/22/758724222.db2.gz VTJUPUHHSACNDW-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234113 759324992 /nfs/dbraw/zinc/32/49/92/759324992.db2.gz XKOCKSOPOBIAJX-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234113 759324998 /nfs/dbraw/zinc/32/49/98/759324998.db2.gz XKOCKSOPOBIAJX-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046740635 767874283 /nfs/dbraw/zinc/87/42/83/767874283.db2.gz BXAOGOHYBCVTKP-QGZVFWFLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001046740635 767874288 /nfs/dbraw/zinc/87/42/88/767874288.db2.gz BXAOGOHYBCVTKP-QGZVFWFLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681667 759997082 /nfs/dbraw/zinc/99/70/82/759997082.db2.gz CNJGTWUKIVEVPV-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681667 759997091 /nfs/dbraw/zinc/99/70/91/759997091.db2.gz CNJGTWUKIVEVPV-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681667 759997099 /nfs/dbraw/zinc/99/70/99/759997099.db2.gz CNJGTWUKIVEVPV-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085681667 759997107 /nfs/dbraw/zinc/99/71/07/759997107.db2.gz CNJGTWUKIVEVPV-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001054924454 760193831 /nfs/dbraw/zinc/19/38/31/760193831.db2.gz FJPMZCUXLPLNDY-YPMHNXCESA-N 2 2 310.829 1.542 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237221 761871467 /nfs/dbraw/zinc/87/14/67/761871467.db2.gz HVIXDCVLHOJQKR-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237221 761871481 /nfs/dbraw/zinc/87/14/81/761871481.db2.gz HVIXDCVLHOJQKR-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041241727 762905051 /nfs/dbraw/zinc/90/50/51/762905051.db2.gz LLUNMYXSKUFRKK-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041241727 762905055 /nfs/dbraw/zinc/90/50/55/762905055.db2.gz LLUNMYXSKUFRKK-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799019 762945517 /nfs/dbraw/zinc/94/55/17/762945517.db2.gz KCAGJKRLTJPUKT-KKUMJFAQSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108807635 762958615 /nfs/dbraw/zinc/95/86/15/762958615.db2.gz GUFWCXVQVMPOHO-KKUMJFAQSA-N 2 2 300.406 1.253 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001001565535 762965809 /nfs/dbraw/zinc/96/58/09/762965809.db2.gz UNBBSDGQSBWHRA-HNNXBMFYSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001001565535 762965816 /nfs/dbraw/zinc/96/58/16/762965816.db2.gz UNBBSDGQSBWHRA-HNNXBMFYSA-N 2 2 314.433 1.284 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733451 763268069 /nfs/dbraw/zinc/26/80/69/763268069.db2.gz WNGJJNLLJGSXSY-YOEHRIQHSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733451 763268075 /nfs/dbraw/zinc/26/80/75/763268075.db2.gz WNGJJNLLJGSXSY-YOEHRIQHSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733451 763268079 /nfs/dbraw/zinc/26/80/79/763268079.db2.gz WNGJJNLLJGSXSY-YOEHRIQHSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733451 763268085 /nfs/dbraw/zinc/26/80/85/763268085.db2.gz WNGJJNLLJGSXSY-YOEHRIQHSA-N 2 2 302.422 1.699 20 30 DDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570251 764411914 /nfs/dbraw/zinc/41/19/14/764411914.db2.gz MUQCLANARMZDCI-YJBOKZPZSA-N 2 2 314.433 1.502 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001042923830 764529626 /nfs/dbraw/zinc/52/96/26/764529626.db2.gz NFRCJSFOKRFWIJ-HNNXBMFYSA-N 2 2 302.422 1.869 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001051256019 764679221 /nfs/dbraw/zinc/67/92/21/764679221.db2.gz SWWVQDJJTODSIY-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001051256019 764679227 /nfs/dbraw/zinc/67/92/27/764679227.db2.gz SWWVQDJJTODSIY-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256019 764679234 /nfs/dbraw/zinc/67/92/34/764679234.db2.gz SWWVQDJJTODSIY-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256019 764679241 /nfs/dbraw/zinc/67/92/41/764679241.db2.gz SWWVQDJJTODSIY-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCOC)CC1 ZINC001112976881 765076555 /nfs/dbraw/zinc/07/65/55/765076555.db2.gz AJOOBRSNKJRIOE-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCOC)CC1 ZINC001112976881 765076558 /nfs/dbraw/zinc/07/65/58/765076558.db2.gz AJOOBRSNKJRIOE-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001044841930 765843124 /nfs/dbraw/zinc/84/31/24/765843124.db2.gz OOECZRWFCUGRIK-YPMHNXCESA-N 2 2 310.829 1.982 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514978 765907958 /nfs/dbraw/zinc/90/79/58/765907958.db2.gz WZTRBZQWJFUKFL-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052514978 765907965 /nfs/dbraw/zinc/90/79/65/765907965.db2.gz WZTRBZQWJFUKFL-AWEZNQCLSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555748 765952187 /nfs/dbraw/zinc/95/21/87/765952187.db2.gz WRHRZWYROVLVGK-HNNXBMFYSA-N 2 2 310.401 1.942 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052555748 765952193 /nfs/dbraw/zinc/95/21/93/765952193.db2.gz WRHRZWYROVLVGK-HNNXBMFYSA-N 2 2 310.401 1.942 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001045331092 766225550 /nfs/dbraw/zinc/22/55/50/766225550.db2.gz ZEOPGYWYHHRKBT-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045480427 766337426 /nfs/dbraw/zinc/33/74/26/766337426.db2.gz SGXZDMDRNAQNPS-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623860 766950194 /nfs/dbraw/zinc/95/01/94/766950194.db2.gz AZOVRBMVZJYCTG-ZWKOTPCHSA-N 2 2 311.429 1.300 20 30 DDEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623860 766950203 /nfs/dbraw/zinc/95/02/03/766950203.db2.gz AZOVRBMVZJYCTG-ZWKOTPCHSA-N 2 2 311.429 1.300 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483935 767387878 /nfs/dbraw/zinc/38/78/78/767387878.db2.gz RKGPIWBQBNBJNG-HNNXBMFYSA-N 2 2 322.453 1.810 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001130266030 767402785 /nfs/dbraw/zinc/40/27/85/767402785.db2.gz JBAWGQASSGQDIF-UHFFFAOYSA-N 2 2 318.380 1.934 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132783121 769190705 /nfs/dbraw/zinc/19/07/05/769190705.db2.gz YLPGYJYHKOXDNZ-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527823 769568263 /nfs/dbraw/zinc/56/82/63/769568263.db2.gz JRKBPVCBMRHKHE-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C ZINC001071527823 769568271 /nfs/dbraw/zinc/56/82/71/769568271.db2.gz JRKBPVCBMRHKHE-CABCVRRESA-N 2 2 314.433 1.364 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242643 769621404 /nfs/dbraw/zinc/62/14/04/769621404.db2.gz VXIDEQBAAVNVBU-LSDHHAIUSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133242276 769621592 /nfs/dbraw/zinc/62/15/92/769621592.db2.gz QATXBUXWYZRXPR-KBPBESRZSA-N 2 2 304.438 1.948 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133353376 769735030 /nfs/dbraw/zinc/73/50/30/769735030.db2.gz AEZJDYCOGUJVRO-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048954098 770160735 /nfs/dbraw/zinc/16/07/35/770160735.db2.gz JPNJFGNTRNDSMV-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048954098 770160736 /nfs/dbraw/zinc/16/07/36/770160736.db2.gz JPNJFGNTRNDSMV-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC=C ZINC001049529540 770982264 /nfs/dbraw/zinc/98/22/64/770982264.db2.gz OOCXCVIYFXJNPQ-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC=C ZINC001049529540 770982269 /nfs/dbraw/zinc/98/22/69/770982269.db2.gz OOCXCVIYFXJNPQ-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC=C ZINC001049529540 770982276 /nfs/dbraw/zinc/98/22/76/770982276.db2.gz OOCXCVIYFXJNPQ-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC=C ZINC001049529540 770982285 /nfs/dbraw/zinc/98/22/85/770982285.db2.gz OOCXCVIYFXJNPQ-SQNIBIBYSA-N 2 2 315.461 1.725 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403680 770990015 /nfs/dbraw/zinc/99/00/15/770990015.db2.gz RMARLMNYNIFOBL-GJZGRUSLSA-N 2 2 316.449 1.658 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049786018 771157673 /nfs/dbraw/zinc/15/76/73/771157673.db2.gz ZZLJENPAPALGOG-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049786018 771157675 /nfs/dbraw/zinc/15/76/75/771157675.db2.gz ZZLJENPAPALGOG-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049786018 771157676 /nfs/dbraw/zinc/15/76/76/771157676.db2.gz ZZLJENPAPALGOG-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049786018 771157678 /nfs/dbraw/zinc/15/76/78/771157678.db2.gz ZZLJENPAPALGOG-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135080294 771315175 /nfs/dbraw/zinc/31/51/75/771315175.db2.gz POPKDQZNPKUJHE-LLVKDONJSA-N 2 2 317.418 1.427 20 30 DDEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135079938 771315540 /nfs/dbraw/zinc/31/55/40/771315540.db2.gz HRJZCTYVHZBNNK-ZDUSSCGKSA-N 2 2 311.389 1.366 20 30 DDEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001135079938 771315544 /nfs/dbraw/zinc/31/55/44/771315544.db2.gz HRJZCTYVHZBNNK-ZDUSSCGKSA-N 2 2 311.389 1.366 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001149124606 773156847 /nfs/dbraw/zinc/15/68/47/773156847.db2.gz WSXWMFVBXWLRPR-UHFFFAOYSA-N 2 2 315.352 1.177 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086851805 773677278 /nfs/dbraw/zinc/67/72/78/773677278.db2.gz XSTHIMNBOBJTQQ-LSDHHAIUSA-N 2 2 323.400 1.389 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785511 774611688 /nfs/dbraw/zinc/61/16/88/774611688.db2.gz GTYMEAIFXPIANI-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001036785511 774611692 /nfs/dbraw/zinc/61/16/92/774611692.db2.gz GTYMEAIFXPIANI-CVEARBPZSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428858 776142835 /nfs/dbraw/zinc/14/28/35/776142835.db2.gz QCECRCFKGFOSRR-JCYILVPMSA-N 2 2 316.449 1.978 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441092 776160124 /nfs/dbraw/zinc/16/01/24/776160124.db2.gz CSMWWESGAPCVKQ-UHFFFAOYSA-N 2 2 302.422 1.434 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171604754 776367831 /nfs/dbraw/zinc/36/78/31/776367831.db2.gz KMSURDPMSBFRAX-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189494 777901628 /nfs/dbraw/zinc/90/16/28/777901628.db2.gz BVYRLTXWVWSSAE-PMPSAXMXSA-N 2 2 300.406 1.408 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189494 777901634 /nfs/dbraw/zinc/90/16/34/777901634.db2.gz BVYRLTXWVWSSAE-PMPSAXMXSA-N 2 2 300.406 1.408 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189600 777904603 /nfs/dbraw/zinc/90/46/03/777904603.db2.gz HGUVSRAUIKWLIR-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189600 777904608 /nfs/dbraw/zinc/90/46/08/777904608.db2.gz HGUVSRAUIKWLIR-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP Nc1ccccc1C(NO)=[NH+]c1cnn(CC[NH+]2CCCC2)c1 ZINC001176560343 778182406 /nfs/dbraw/zinc/18/24/06/778182406.db2.gz LXIGFCROECPHGK-UHFFFAOYSA-N 2 2 314.393 1.618 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613509 778240242 /nfs/dbraw/zinc/24/02/42/778240242.db2.gz GUXZPKJVJZSXFK-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613509 778240250 /nfs/dbraw/zinc/24/02/50/778240250.db2.gz GUXZPKJVJZSXFK-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CCO[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC001117751726 780895331 /nfs/dbraw/zinc/89/53/31/780895331.db2.gz ADBIYYFMQMNKNY-MRXNPFEDSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266607577 836526584 /nfs/dbraw/zinc/52/65/84/836526584.db2.gz CJHPJVURAPUEGX-RBSFLKMASA-N 2 2 304.438 1.944 20 30 DDEDLP C=CCC[NH2+]CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001266898048 837023068 /nfs/dbraw/zinc/02/30/68/837023068.db2.gz XYRPBAWFJDRGEX-UHFFFAOYSA-N 2 2 300.406 1.809 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460712 838464730 /nfs/dbraw/zinc/46/47/30/838464730.db2.gz LJQRDOXERBTPHC-KGLIPLIRSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766467 838910997 /nfs/dbraw/zinc/91/09/97/838910997.db2.gz JCMADJXWHBGDPI-HOTGVXAUSA-N 2 2 302.422 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267766467 838911004 /nfs/dbraw/zinc/91/10/04/838911004.db2.gz JCMADJXWHBGDPI-HOTGVXAUSA-N 2 2 302.422 1.636 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270084108 842280816 /nfs/dbraw/zinc/28/08/16/842280816.db2.gz VPKCTYNVWLSMRD-HOCLYGCPSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270436743 842574534 /nfs/dbraw/zinc/57/45/34/842574534.db2.gz RTZMGJZIBIAWSQ-GJZGRUSLSA-N 2 2 304.438 1.754 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC001270450821 842586909 /nfs/dbraw/zinc/58/69/09/842586909.db2.gz YMSIFDBSHREDRP-MRXNPFEDSA-N 2 2 302.422 1.251 20 30 DDEDLP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001270829008 842939146 /nfs/dbraw/zinc/93/91/46/842939146.db2.gz ISLWWGIKIIWGHM-KRWDZBQOSA-N 2 2 304.438 1.757 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001271444820 843599227 /nfs/dbraw/zinc/59/92/27/843599227.db2.gz BFLRANHGCCIFFL-HIFRSBDPSA-N 2 2 320.437 1.290 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001326655683 861513515 /nfs/dbraw/zinc/51/35/15/861513515.db2.gz PEBOVJIZIOWCAO-HOTGVXAUSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326655683 861513523 /nfs/dbraw/zinc/51/35/23/861513523.db2.gz PEBOVJIZIOWCAO-HOTGVXAUSA-N 2 2 309.454 1.111 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001326655683 861513536 /nfs/dbraw/zinc/51/35/36/861513536.db2.gz PEBOVJIZIOWCAO-HOTGVXAUSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274215 848223558 /nfs/dbraw/zinc/22/35/58/848223558.db2.gz LFILKHNQWSYTNP-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274215 848223567 /nfs/dbraw/zinc/22/35/67/848223567.db2.gz LFILKHNQWSYTNP-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327362883 862104427 /nfs/dbraw/zinc/10/44/27/862104427.db2.gz DSTXPQNNKLGJSY-JKSUJKDBSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)O2 ZINC001327362883 862104433 /nfs/dbraw/zinc/10/44/33/862104433.db2.gz DSTXPQNNKLGJSY-JKSUJKDBSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863746 851435576 /nfs/dbraw/zinc/43/55/76/851435576.db2.gz NJDIUAKWWFTYAA-CRAIPNDOSA-N 2 2 323.481 1.378 20 30 DDEDLP C=C(C)CN1CC[C@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863746 851435581 /nfs/dbraw/zinc/43/55/81/851435581.db2.gz NJDIUAKWWFTYAA-CRAIPNDOSA-N 2 2 323.481 1.378 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150620602 862359970 /nfs/dbraw/zinc/35/99/70/862359970.db2.gz UFYONYUTPRGUCC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620602 862359985 /nfs/dbraw/zinc/35/99/85/862359985.db2.gz UFYONYUTPRGUCC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620602 862360000 /nfs/dbraw/zinc/36/00/00/862360000.db2.gz UFYONYUTPRGUCC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620602 862360015 /nfs/dbraw/zinc/36/00/15/862360015.db2.gz UFYONYUTPRGUCC-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655411 852489883 /nfs/dbraw/zinc/48/98/83/852489883.db2.gz KCNNMBLYULOIHK-WMZOPIPTSA-N 2 2 323.481 1.332 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655411 852489893 /nfs/dbraw/zinc/48/98/93/852489893.db2.gz KCNNMBLYULOIHK-WMZOPIPTSA-N 2 2 323.481 1.332 20 30 DDEDLP C=CCCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274974566 852723504 /nfs/dbraw/zinc/72/35/04/852723504.db2.gz NPJBIUNPUUANRM-IRXDYDNUSA-N 2 2 304.438 1.624 20 30 DDEDLP C=CCCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274974566 852723509 /nfs/dbraw/zinc/72/35/09/852723509.db2.gz NPJBIUNPUUANRM-IRXDYDNUSA-N 2 2 304.438 1.624 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049555949 856971230 /nfs/dbraw/zinc/97/12/30/856971230.db2.gz BQWOOSRIVDYZTJ-HRCADAONSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001049555949 856971233 /nfs/dbraw/zinc/97/12/33/856971233.db2.gz BQWOOSRIVDYZTJ-HRCADAONSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870332 857823718 /nfs/dbraw/zinc/82/37/18/857823718.db2.gz FPIRVMVYZPATPD-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849063 858611908 /nfs/dbraw/zinc/61/19/08/858611908.db2.gz UYWGKVKZFIFSSN-HOUHCIJLSA-N 2 2 300.406 1.484 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001328686091 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IXBGFVUDMPBCQL-HNNXBMFYSA-N 2 2 304.438 1.709 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001320151678 866516365 /nfs/dbraw/zinc/51/63/65/866516365.db2.gz RIZARWMLZGGQBO-CABCVRRESA-N 2 2 302.422 1.251 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001336795577 869147224 /nfs/dbraw/zinc/14/72/24/869147224.db2.gz WSNYMXFBVRMUHL-MRXNPFEDSA-N 2 2 322.836 1.767 20 30 DDEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C=NO)c1 ZINC001165197728 869422474 /nfs/dbraw/zinc/42/24/74/869422474.db2.gz ZLMQRGYZBUHLRQ-AWEZNQCLSA-N 2 2 303.410 1.200 20 30 DDEDLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C=NO)c1 ZINC001165197728 869422476 /nfs/dbraw/zinc/42/24/76/869422476.db2.gz ZLMQRGYZBUHLRQ-AWEZNQCLSA-N 2 2 303.410 1.200 20 30 DDEDLP Cc1[nH+]c2c(n1-c1nc(C#N)c(C#N)nc1Cl)CC[NH2+]CC2 ZINC001165352971 869540497 /nfs/dbraw/zinc/54/04/97/869540497.db2.gz KDJGGQGNBFBGMN-UHFFFAOYSA-N 2 2 313.752 1.056 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166334795 869959767 /nfs/dbraw/zinc/95/97/67/869959767.db2.gz LTRNBHWFTJLIHK-UHFFFAOYSA-N 2 2 302.422 1.252 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC001338491072 870009902 /nfs/dbraw/zinc/00/99/02/870009902.db2.gz DGGLKBWTXHHYHD-HOCLYGCPSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC001338491072 870009917 /nfs/dbraw/zinc/00/99/17/870009917.db2.gz DGGLKBWTXHHYHD-HOCLYGCPSA-N 2 2 303.406 1.229 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317043847 870156574 /nfs/dbraw/zinc/15/65/74/870156574.db2.gz KMDQOFONOOJCOY-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317043847 870156581 /nfs/dbraw/zinc/15/65/81/870156581.db2.gz KMDQOFONOOJCOY-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317043847 870156586 /nfs/dbraw/zinc/15/65/86/870156586.db2.gz KMDQOFONOOJCOY-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317043847 870156595 /nfs/dbraw/zinc/15/65/95/870156595.db2.gz KMDQOFONOOJCOY-ARFHVFGLSA-N 2 2 314.433 1.707 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676503 870706724 /nfs/dbraw/zinc/70/67/24/870706724.db2.gz DZKYBWZCHVFJBR-HUUCEWRRSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526925 870994402 /nfs/dbraw/zinc/99/44/02/870994402.db2.gz MRUFPQIVVJUEJI-SJORKVTESA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526925 870994406 /nfs/dbraw/zinc/99/44/06/870994406.db2.gz MRUFPQIVVJUEJI-SJORKVTESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317605552 871186246 /nfs/dbraw/zinc/18/62/46/871186246.db2.gz IAUAUMWNVAMKNW-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205556030 871627562 /nfs/dbraw/zinc/62/75/62/871627562.db2.gz IOHHXRHCHVWGMG-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001316910637 872327331 /nfs/dbraw/zinc/32/73/31/872327331.db2.gz DVALFFFKBYTRNF-UHFFFAOYSA-N 2 2 324.428 1.763 20 30 DDEDLP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001316910637 872327351 /nfs/dbraw/zinc/32/73/51/872327351.db2.gz DVALFFFKBYTRNF-UHFFFAOYSA-N 2 2 324.428 1.763 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001319322594 872572330 /nfs/dbraw/zinc/57/23/30/872572330.db2.gz NFBYJGXRZUDEOZ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001319322594 872572345 /nfs/dbraw/zinc/57/23/45/872572345.db2.gz NFBYJGXRZUDEOZ-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#C[C@H]1CCCCO1 ZINC001353375376 877285412 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DDEDLP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277411364 884115193 /nfs/dbraw/zinc/11/51/93/884115193.db2.gz LBYAAYCJOLLSCE-OAHLLOKOSA-N 2 2 314.433 1.392 20 30 DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001232891207 886656756 /nfs/dbraw/zinc/65/67/56/886656756.db2.gz XUIDMCAOCNMAPB-ZWKOTPCHSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001232891207 886656763 /nfs/dbraw/zinc/65/67/63/886656763.db2.gz XUIDMCAOCNMAPB-ZWKOTPCHSA-N 2 2 316.424 1.908 20 30 DDEDLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001235868073 888986970 /nfs/dbraw/zinc/98/69/70/888986970.db2.gz RGNFFQHTUBIHAC-HNNXBMFYSA-N 2 2 315.421 1.190 20 30 DDEDLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001235868073 888986977 /nfs/dbraw/zinc/98/69/77/888986977.db2.gz RGNFFQHTUBIHAC-HNNXBMFYSA-N 2 2 315.421 1.190 20 30 DDEDLP C[NH+]1CCN(c2cc(C[NH+]3CC(CC#N)C3)ccc2F)CC1 ZINC001236958822 889444523 /nfs/dbraw/zinc/44/45/23/889444523.db2.gz DDYWWPIZSVZQTE-UHFFFAOYSA-N 2 2 302.397 1.923 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278562979 894250040 /nfs/dbraw/zinc/25/00/40/894250040.db2.gz UPKXYNZHQCGPAR-PBHICJAKSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278562979 894250058 /nfs/dbraw/zinc/25/00/58/894250058.db2.gz UPKXYNZHQCGPAR-PBHICJAKSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001252595333 895299843 /nfs/dbraw/zinc/29/98/43/895299843.db2.gz GNESZAPWCXEMOP-CYBMUJFWSA-N 2 2 302.378 1.605 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001252595333 895299853 /nfs/dbraw/zinc/29/98/53/895299853.db2.gz GNESZAPWCXEMOP-CYBMUJFWSA-N 2 2 302.378 1.605 20 30 DDEDLP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082928 897279062 /nfs/dbraw/zinc/27/90/62/897279062.db2.gz ODWNIMYUFGSVBN-CQSZACIVSA-N 2 2 307.438 1.990 20 30 DDEDLP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082928 897279078 /nfs/dbraw/zinc/27/90/78/897279078.db2.gz ODWNIMYUFGSVBN-CQSZACIVSA-N 2 2 307.438 1.990 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006655 897797706 /nfs/dbraw/zinc/79/77/06/897797706.db2.gz PGTGFEVEEOVBMN-CVEARBPZSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038231 897940900 /nfs/dbraw/zinc/94/09/00/897940900.db2.gz GHPZQVXFGYGDTM-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001279104483 901154625 /nfs/dbraw/zinc/15/46/25/901154625.db2.gz GPHZFVSORXKAIJ-CYBMUJFWSA-N 2 2 302.422 1.501 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265437036 902015063 /nfs/dbraw/zinc/01/50/63/902015063.db2.gz UROVAMCSFMFTEF-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105258 902951362 /nfs/dbraw/zinc/95/13/62/902951362.db2.gz KKJAXYNHVAHMKR-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266105258 902951376 /nfs/dbraw/zinc/95/13/76/902951376.db2.gz KKJAXYNHVAHMKR-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577929 903336408 /nfs/dbraw/zinc/33/64/08/903336408.db2.gz VXGXFOWRTYYDKN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577929 903336419 /nfs/dbraw/zinc/33/64/19/903336419.db2.gz VXGXFOWRTYYDKN-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282306622 905671575 /nfs/dbraw/zinc/67/15/75/905671575.db2.gz LBDQCUFUQOPNMG-ZIAGYGMSSA-N 2 2 302.422 1.611 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282306622 905671594 /nfs/dbraw/zinc/67/15/94/905671594.db2.gz LBDQCUFUQOPNMG-ZIAGYGMSSA-N 2 2 302.422 1.611 20 30 DDEDLP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001282448618 905791660 /nfs/dbraw/zinc/79/16/60/905791660.db2.gz BDZOXGSBIMKBAX-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001282448618 905791665 /nfs/dbraw/zinc/79/16/65/905791665.db2.gz BDZOXGSBIMKBAX-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001282448618 905791671 /nfs/dbraw/zinc/79/16/71/905791671.db2.gz BDZOXGSBIMKBAX-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001282448618 905791676 /nfs/dbraw/zinc/79/16/76/905791676.db2.gz BDZOXGSBIMKBAX-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283205491 906883818 /nfs/dbraw/zinc/88/38/18/906883818.db2.gz XPWGSHSZKSHIFU-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nocc1C ZINC001283616902 907683989 /nfs/dbraw/zinc/68/39/89/907683989.db2.gz BYPSFILAJYINRU-ZBFHGGJFSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nocc1C ZINC001283616902 907683993 /nfs/dbraw/zinc/68/39/93/907683993.db2.gz BYPSFILAJYINRU-ZBFHGGJFSA-N 2 2 318.421 1.017 20 30 DDEDLP C#CCC[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001284842088 909558990 /nfs/dbraw/zinc/55/89/90/909558990.db2.gz KICQUFNRIRLLAO-UHFFFAOYSA-N 2 2 314.433 1.726 20 30 DDEDLP C#CCC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001284842088 909559000 /nfs/dbraw/zinc/55/90/00/909559000.db2.gz KICQUFNRIRLLAO-UHFFFAOYSA-N 2 2 314.433 1.726 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001373531990 910105801 /nfs/dbraw/zinc/10/58/01/910105801.db2.gz LZNRADRDDNLDHR-CQSZACIVSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000578422261 354708517 /nfs/dbraw/zinc/70/85/17/354708517.db2.gz KEQGROICFUTJBA-KGLIPLIRSA-N 2 2 308.345 1.966 20 30 DDEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049475 355779611 /nfs/dbraw/zinc/77/96/11/355779611.db2.gz AGCAGKIZOFPRDD-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049475 355779614 /nfs/dbraw/zinc/77/96/14/355779614.db2.gz AGCAGKIZOFPRDD-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000594439997 356215520 /nfs/dbraw/zinc/21/55/20/356215520.db2.gz XFRMMKCIDCCCDR-INIZCTEOSA-N 2 2 315.421 1.137 20 30 DDEDLP Cc1cccn2cc(CCNC(=O)[C@H]([NH3+])CCCCC#N)[nH+]c12 ZINC000594439348 356215718 /nfs/dbraw/zinc/21/57/18/356215718.db2.gz UQQQFVODLNIKPL-OAHLLOKOSA-N 2 2 313.405 1.713 20 30 DDEDLP Cc1cccn2cc(CCNC(=O)[C@@H]([NH3+])CCCCC#N)[nH+]c12 ZINC000594439347 356216022 /nfs/dbraw/zinc/21/60/22/356216022.db2.gz UQQQFVODLNIKPL-HNNXBMFYSA-N 2 2 313.405 1.713 20 30 DDEDLP N#Cc1ccc(C2([NH2+]C[C@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000600739852 358303026 /nfs/dbraw/zinc/30/30/26/358303026.db2.gz FYFJORYKBYTASE-MRXNPFEDSA-N 2 2 301.390 1.142 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1=O ZINC000602601882 359066028 /nfs/dbraw/zinc/06/60/28/359066028.db2.gz LNJUKKJNZHSOLN-NRXISQOPSA-N 2 2 315.421 1.583 20 30 DDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268908192 207077193 /nfs/dbraw/zinc/07/71/93/207077193.db2.gz MIGAACNGKNRFHZ-DOTOQJQBSA-N 2 2 301.434 1.595 20 30 DDEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268908192 207077196 /nfs/dbraw/zinc/07/71/96/207077196.db2.gz MIGAACNGKNRFHZ-DOTOQJQBSA-N 2 2 301.434 1.595 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129467381 407612495 /nfs/dbraw/zinc/61/24/95/407612495.db2.gz KOPOCIIJKANITA-ILXRZTDVSA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129467381 407612496 /nfs/dbraw/zinc/61/24/96/407612496.db2.gz KOPOCIIJKANITA-ILXRZTDVSA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829803 407733045 /nfs/dbraw/zinc/73/30/45/407733045.db2.gz DSUNRXYDRVZQQU-GOEBONIOSA-N 2 2 302.422 1.485 20 30 DDEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829803 407733047 /nfs/dbraw/zinc/73/30/47/407733047.db2.gz DSUNRXYDRVZQQU-GOEBONIOSA-N 2 2 302.422 1.485 20 30 DDEDLP C[NH+]=C(NCc1cc(C)no1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179224470 407759312 /nfs/dbraw/zinc/75/93/12/407759312.db2.gz RMGDZXWCEFWMCA-WFASDCNBSA-N 2 2 316.409 1.838 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000175484482 408142448 /nfs/dbraw/zinc/14/24/48/408142448.db2.gz BYMIJEKHHSMCAR-UHFFFAOYSA-N 2 2 315.421 1.175 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000134173146 162072286 /nfs/dbraw/zinc/07/22/86/162072286.db2.gz NIRPIMXZBSLOMW-UHFFFAOYSA-N 2 2 322.416 1.736 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265195661 408575188 /nfs/dbraw/zinc/57/51/88/408575188.db2.gz IKCQXBQBHUJUPV-MRXNPFEDSA-N 2 2 323.481 1.354 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265195661 408575192 /nfs/dbraw/zinc/57/51/92/408575192.db2.gz IKCQXBQBHUJUPV-MRXNPFEDSA-N 2 2 323.481 1.354 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001470 409047982 /nfs/dbraw/zinc/04/79/82/409047982.db2.gz CYDLKYHBYLNENA-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001470 409047983 /nfs/dbraw/zinc/04/79/83/409047983.db2.gz CYDLKYHBYLNENA-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293001470 409047984 /nfs/dbraw/zinc/04/79/84/409047984.db2.gz CYDLKYHBYLNENA-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293001470 409047985 /nfs/dbraw/zinc/04/79/85/409047985.db2.gz CYDLKYHBYLNENA-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP COC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000279845101 409251386 /nfs/dbraw/zinc/25/13/86/409251386.db2.gz RIOODDCBGVDEDC-QGZVFWFLSA-N 2 2 303.406 1.120 20 30 DDEDLP O=C(CCc1[nH]cc[nH+]1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329248803 410188365 /nfs/dbraw/zinc/18/83/65/410188365.db2.gz SRCPMKMRGJMHAC-HNNXBMFYSA-N 2 2 324.450 1.507 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000330236298 410596944 /nfs/dbraw/zinc/59/69/44/410596944.db2.gz AEEWCNSWUQBBIU-MCIONIFRSA-N 2 2 303.410 1.138 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000330236298 410596949 /nfs/dbraw/zinc/59/69/49/410596949.db2.gz AEEWCNSWUQBBIU-MCIONIFRSA-N 2 2 303.410 1.138 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246952898 222225263 /nfs/dbraw/zinc/22/52/63/222225263.db2.gz UQUSQSGPKKHABY-RDJZCZTQSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246952898 222225264 /nfs/dbraw/zinc/22/52/64/222225264.db2.gz UQUSQSGPKKHABY-RDJZCZTQSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246952898 222225268 /nfs/dbraw/zinc/22/52/68/222225268.db2.gz UQUSQSGPKKHABY-RDJZCZTQSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246952898 222225269 /nfs/dbraw/zinc/22/52/69/222225269.db2.gz UQUSQSGPKKHABY-RDJZCZTQSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261944840 222261667 /nfs/dbraw/zinc/26/16/67/222261667.db2.gz FMDGRJZXKDUEKR-QLFBSQMISA-N 3 2 306.458 1.292 20 30 DDEDLP C[NH+]=C(NCc1noc(C)n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262010601 222268876 /nfs/dbraw/zinc/26/88/76/222268876.db2.gz WMKHUEYIKNWLKI-YPMHNXCESA-N 2 2 317.397 1.233 20 30 DDEDLP CN1CCC[NH+]=C1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000263206113 222306314 /nfs/dbraw/zinc/30/63/14/222306314.db2.gz YGBIIXRVUHGEIG-MRXNPFEDSA-N 2 2 318.490 1.885 20 30 DDEDLP CN1CCC[NH+]=C1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000263206113 222306316 /nfs/dbraw/zinc/30/63/16/222306316.db2.gz YGBIIXRVUHGEIG-MRXNPFEDSA-N 2 2 318.490 1.885 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000377552908 418712084 /nfs/dbraw/zinc/71/20/84/418712084.db2.gz KLCLLNMJWIXDLU-KRWDZBQOSA-N 2 2 312.417 1.472 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887368 418690583 /nfs/dbraw/zinc/69/05/83/418690583.db2.gz CWOIAICVBQWODG-CQSZACIVSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887368 418690586 /nfs/dbraw/zinc/69/05/86/418690586.db2.gz CWOIAICVBQWODG-CQSZACIVSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293058 418776978 /nfs/dbraw/zinc/77/69/78/418776978.db2.gz FFRLBBLRYPNTIG-YESZJQIVSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293058 418776979 /nfs/dbraw/zinc/77/69/79/418776979.db2.gz FFRLBBLRYPNTIG-YESZJQIVSA-N 2 2 323.481 1.595 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371418429 418789817 /nfs/dbraw/zinc/78/98/17/418789817.db2.gz CNWOJLQSCYCMBY-AWEZNQCLSA-N 2 2 304.463 1.832 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371418429 418789819 /nfs/dbraw/zinc/78/98/19/418789819.db2.gz CNWOJLQSCYCMBY-AWEZNQCLSA-N 2 2 304.463 1.832 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000424164285 228238659 /nfs/dbraw/zinc/23/86/59/228238659.db2.gz ZHBFNBUQQXUUKL-CYBMUJFWSA-N 2 2 306.435 1.244 20 30 DDEDLP COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1C#N ZINC000440819080 420610052 /nfs/dbraw/zinc/61/00/52/420610052.db2.gz IMRNSFCHCLURGP-CQSZACIVSA-N 2 2 303.406 1.767 20 30 DDEDLP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC000459791397 420873268 /nfs/dbraw/zinc/87/32/68/420873268.db2.gz NHXIQTTYWVOQJJ-OKILXGFUSA-N 2 2 300.410 1.158 20 30 DDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000562200192 421343430 /nfs/dbraw/zinc/34/34/30/421343430.db2.gz PKANUZBGTRSEIX-OAHLLOKOSA-N 2 2 319.478 1.615 20 30 DDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000562200192 421343432 /nfs/dbraw/zinc/34/34/32/421343432.db2.gz PKANUZBGTRSEIX-OAHLLOKOSA-N 2 2 319.478 1.615 20 30 DDEDLP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000527135867 421359694 /nfs/dbraw/zinc/35/96/94/421359694.db2.gz MTGYDFFJYYOHTP-KBPBESRZSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000527135867 421359697 /nfs/dbraw/zinc/35/96/97/421359697.db2.gz MTGYDFFJYYOHTP-KBPBESRZSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000527297132 421374926 /nfs/dbraw/zinc/37/49/26/421374926.db2.gz KTLNETRHRBVIIL-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000527297132 421374931 /nfs/dbraw/zinc/37/49/31/421374931.db2.gz KTLNETRHRBVIIL-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165246 421617384 /nfs/dbraw/zinc/61/73/84/421617384.db2.gz JFMRVYPNFGHFSW-OLZOCXBDSA-N 2 2 301.394 1.160 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165246 421617387 /nfs/dbraw/zinc/61/73/87/421617387.db2.gz JFMRVYPNFGHFSW-OLZOCXBDSA-N 2 2 301.394 1.160 20 30 DDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000553091106 421602260 /nfs/dbraw/zinc/60/22/60/421602260.db2.gz KDQADQRQXOVDCG-DZGCQCFKSA-N 2 2 314.437 1.403 20 30 DDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000553091106 421602261 /nfs/dbraw/zinc/60/22/61/421602261.db2.gz KDQADQRQXOVDCG-DZGCQCFKSA-N 2 2 314.437 1.403 20 30 DDEDLP Cc1cc(NC[C@@H](C)[NH+](C)C)c(C#N)c(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000596089856 422365468 /nfs/dbraw/zinc/36/54/68/422365468.db2.gz KVMZCSNABQKRTP-ZIAGYGMSSA-N 3 2 318.469 1.986 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194579 422321005 /nfs/dbraw/zinc/32/10/05/422321005.db2.gz KATDLRNQIGJCOM-AWEZNQCLSA-N 2 2 318.421 1.753 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342611416 269990829 /nfs/dbraw/zinc/99/08/29/269990829.db2.gz XRHYFFVLPJYLAU-HNNXBMFYSA-N 2 2 309.373 1.687 20 30 DDEDLP C=C[C@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000641775313 423971419 /nfs/dbraw/zinc/97/14/19/423971419.db2.gz WEUJAQRTDMGYDT-CYBMUJFWSA-N 2 2 309.841 1.728 20 30 DDEDLP CCCNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425208051 267024219 /nfs/dbraw/zinc/02/42/19/267024219.db2.gz OJPFQCWMRMOGSY-UHFFFAOYSA-N 2 2 315.421 1.086 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000566482419 308054978 /nfs/dbraw/zinc/05/49/78/308054978.db2.gz NWFBJQLBFYMPPC-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000566482419 308054980 /nfs/dbraw/zinc/05/49/80/308054980.db2.gz NWFBJQLBFYMPPC-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000525885624 335138036 /nfs/dbraw/zinc/13/80/36/335138036.db2.gz BLJDDOVMJLJGBJ-OAHLLOKOSA-N 2 2 304.438 1.357 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000525885624 335138038 /nfs/dbraw/zinc/13/80/38/335138038.db2.gz BLJDDOVMJLJGBJ-OAHLLOKOSA-N 2 2 304.438 1.357 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825343 336260162 /nfs/dbraw/zinc/26/01/62/336260162.db2.gz PHTPWBVDQCSOJB-SFHVURJKSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825343 336260163 /nfs/dbraw/zinc/26/01/63/336260163.db2.gz PHTPWBVDQCSOJB-SFHVURJKSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825343 336260164 /nfs/dbraw/zinc/26/01/64/336260164.db2.gz PHTPWBVDQCSOJB-SFHVURJKSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825343 336260165 /nfs/dbraw/zinc/26/01/65/336260165.db2.gz PHTPWBVDQCSOJB-SFHVURJKSA-N 2 2 312.417 1.224 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174629 341331625 /nfs/dbraw/zinc/33/16/25/341331625.db2.gz JNKRVIMZBBVRSR-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174629 341331626 /nfs/dbraw/zinc/33/16/26/341331626.db2.gz JNKRVIMZBBVRSR-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174629 341331627 /nfs/dbraw/zinc/33/16/27/341331627.db2.gz JNKRVIMZBBVRSR-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246174629 341331628 /nfs/dbraw/zinc/33/16/28/341331628.db2.gz JNKRVIMZBBVRSR-HZPDHXFCSA-N 2 2 308.470 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247264204 341362939 /nfs/dbraw/zinc/36/29/39/341362939.db2.gz VOWBENPTYXFIHQ-JYJNAYRXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247264204 341362940 /nfs/dbraw/zinc/36/29/40/341362940.db2.gz VOWBENPTYXFIHQ-JYJNAYRXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247264204 341362941 /nfs/dbraw/zinc/36/29/41/341362941.db2.gz VOWBENPTYXFIHQ-JYJNAYRXSA-N 2 2 308.470 1.657 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247264204 341362942 /nfs/dbraw/zinc/36/29/42/341362942.db2.gz VOWBENPTYXFIHQ-JYJNAYRXSA-N 2 2 308.470 1.657 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491039090 526950183 /nfs/dbraw/zinc/95/01/83/526950183.db2.gz MUOMJDQUWKYJKX-STQMWFEESA-N 2 2 317.355 1.037 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491039090 526950187 /nfs/dbraw/zinc/95/01/87/526950187.db2.gz MUOMJDQUWKYJKX-STQMWFEESA-N 2 2 317.355 1.037 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269182 528185385 /nfs/dbraw/zinc/18/53/85/528185385.db2.gz DHTXJACJWAPGLQ-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346269182 528185388 /nfs/dbraw/zinc/18/53/88/528185388.db2.gz DHTXJACJWAPGLQ-LSDHHAIUSA-N 2 2 306.454 1.601 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519704 695271562 /nfs/dbraw/zinc/27/15/62/695271562.db2.gz XZTACOZDRAWBAW-BQFCYCMXSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519704 695271563 /nfs/dbraw/zinc/27/15/63/695271563.db2.gz XZTACOZDRAWBAW-BQFCYCMXSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519704 695271565 /nfs/dbraw/zinc/27/15/65/695271565.db2.gz XZTACOZDRAWBAW-BQFCYCMXSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519704 695271566 /nfs/dbraw/zinc/27/15/66/695271566.db2.gz XZTACOZDRAWBAW-BQFCYCMXSA-N 2 2 321.465 1.206 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977387820 696140265 /nfs/dbraw/zinc/14/02/65/696140265.db2.gz LHEQOJARMPDWPI-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000977387820 696140269 /nfs/dbraw/zinc/14/02/69/696140269.db2.gz LHEQOJARMPDWPI-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978503049 696397061 /nfs/dbraw/zinc/39/70/61/696397061.db2.gz ROAWYQDEROARTA-OSYLJGHBSA-N 2 2 311.429 1.938 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978503049 696397064 /nfs/dbraw/zinc/39/70/64/696397064.db2.gz ROAWYQDEROARTA-OSYLJGHBSA-N 2 2 311.429 1.938 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980484819 696784217 /nfs/dbraw/zinc/78/42/17/696784217.db2.gz BEXHCGPINCDPLC-IAGOWNOFSA-N 2 2 316.449 1.793 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980484819 696784219 /nfs/dbraw/zinc/78/42/19/696784219.db2.gz BEXHCGPINCDPLC-IAGOWNOFSA-N 2 2 316.449 1.793 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCS1 ZINC000157395686 696977612 /nfs/dbraw/zinc/97/76/12/696977612.db2.gz ZPTIVWMOAMSOOB-CQSZACIVSA-N 2 2 321.494 1.823 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061381 697018916 /nfs/dbraw/zinc/01/89/16/697018916.db2.gz RVSYYLMDTPNOTM-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061381 697018919 /nfs/dbraw/zinc/01/89/19/697018919.db2.gz RVSYYLMDTPNOTM-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061381 697018922 /nfs/dbraw/zinc/01/89/22/697018922.db2.gz RVSYYLMDTPNOTM-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061381 697018925 /nfs/dbraw/zinc/01/89/25/697018925.db2.gz RVSYYLMDTPNOTM-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271604 697052689 /nfs/dbraw/zinc/05/26/89/697052689.db2.gz VDVZAUICPBNEOE-UHFFFAOYSA-N 2 2 319.474 1.981 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271604 697052691 /nfs/dbraw/zinc/05/26/91/697052691.db2.gz VDVZAUICPBNEOE-UHFFFAOYSA-N 2 2 319.474 1.981 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483351 697108237 /nfs/dbraw/zinc/10/82/37/697108237.db2.gz HONQDDTUAYQDPG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483351 697108240 /nfs/dbraw/zinc/10/82/40/697108240.db2.gz HONQDDTUAYQDPG-HNNXBMFYSA-N 2 2 302.422 1.556 20 30 DDEDLP CN(C)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cc1F ZINC000799492232 700146163 /nfs/dbraw/zinc/14/61/63/700146163.db2.gz QZAUBPWZLSKWGH-UHFFFAOYSA-N 2 2 308.401 1.538 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000989636275 698702912 /nfs/dbraw/zinc/70/29/12/698702912.db2.gz VOKPKQPCBAGACS-GDBMZVCRSA-N 2 2 308.385 1.698 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275604 701511604 /nfs/dbraw/zinc/51/16/04/701511604.db2.gz ZBDMFDYQLZMEPG-GOEBONIOSA-N 2 2 320.481 1.502 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275604 701511606 /nfs/dbraw/zinc/51/16/06/701511606.db2.gz ZBDMFDYQLZMEPG-GOEBONIOSA-N 2 2 320.481 1.502 20 30 DDEDLP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1O ZINC000866231300 706655951 /nfs/dbraw/zinc/65/59/51/706655951.db2.gz WAFCVKMGELXVFO-OAHLLOKOSA-N 2 2 316.449 1.942 20 30 DDEDLP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000866259922 706660241 /nfs/dbraw/zinc/66/02/41/706660241.db2.gz IEPDDKMBMGCOFC-HNNXBMFYSA-N 2 2 316.449 1.942 20 30 DDEDLP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000866259922 706660244 /nfs/dbraw/zinc/66/02/44/706660244.db2.gz IEPDDKMBMGCOFC-HNNXBMFYSA-N 2 2 316.449 1.942 20 30 DDEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CN1CC[NH+](C)CC1 ZINC000866260582 706660440 /nfs/dbraw/zinc/66/04/40/706660440.db2.gz VPJHJPWKVBESKK-GJZGRUSLSA-N 2 2 316.449 1.798 20 30 DDEDLP COC(=O)CCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000863459135 705934365 /nfs/dbraw/zinc/93/43/65/705934365.db2.gz MCCNHDWTHGHHTK-UHFFFAOYSA-N 2 2 307.394 1.728 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903865548 711308172 /nfs/dbraw/zinc/30/81/72/711308172.db2.gz ZYDQSROMYNCQHE-INMHGKMJSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903865548 711308174 /nfs/dbraw/zinc/30/81/74/711308174.db2.gz ZYDQSROMYNCQHE-INMHGKMJSA-N 2 2 301.390 1.111 20 30 DDEDLP C[C@@H](CCC#N)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895549963 711539311 /nfs/dbraw/zinc/53/93/11/711539311.db2.gz CTUDKAJRJFEYEL-HNNXBMFYSA-N 2 2 306.454 1.732 20 30 DDEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000905554879 712076445 /nfs/dbraw/zinc/07/64/45/712076445.db2.gz ZSNIFSWGUNOAGZ-JKSUJKDBSA-N 2 2 304.438 1.965 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000930752078 713911286 /nfs/dbraw/zinc/91/12/86/713911286.db2.gz RQFYSJUCLMOBMZ-QGZVFWFLSA-N 2 2 317.481 1.922 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000930752078 713911287 /nfs/dbraw/zinc/91/12/87/713911287.db2.gz RQFYSJUCLMOBMZ-QGZVFWFLSA-N 2 2 317.481 1.922 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000931553931 714126774 /nfs/dbraw/zinc/12/67/74/714126774.db2.gz IPTNSDQTLPNUIX-AWEZNQCLSA-N 2 2 311.389 1.862 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000931553931 714126775 /nfs/dbraw/zinc/12/67/75/714126775.db2.gz IPTNSDQTLPNUIX-AWEZNQCLSA-N 2 2 311.389 1.862 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000923580106 714414787 /nfs/dbraw/zinc/41/47/87/714414787.db2.gz YFVZQKXUBIZZMW-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000923580106 714414789 /nfs/dbraw/zinc/41/47/89/714414789.db2.gz YFVZQKXUBIZZMW-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580106 714414791 /nfs/dbraw/zinc/41/47/91/714414791.db2.gz YFVZQKXUBIZZMW-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC000923580106 714414793 /nfs/dbraw/zinc/41/47/93/714414793.db2.gz YFVZQKXUBIZZMW-ZWKOTPCHSA-N 2 2 313.445 1.893 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000957652921 715985245 /nfs/dbraw/zinc/98/52/45/715985245.db2.gz VPCPKMSGIQAVMI-UHFFFAOYSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960274711 716476358 /nfs/dbraw/zinc/47/63/58/716476358.db2.gz DKSHEUDSTSYNHV-KZNAEPCWSA-N 2 2 311.429 1.476 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960274711 716476361 /nfs/dbraw/zinc/47/63/61/716476361.db2.gz DKSHEUDSTSYNHV-KZNAEPCWSA-N 2 2 311.429 1.476 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255855 716884200 /nfs/dbraw/zinc/88/42/00/716884200.db2.gz VVIXAWYRXVZYEK-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961255855 716884205 /nfs/dbraw/zinc/88/42/05/716884205.db2.gz VVIXAWYRXVZYEK-CABCVRRESA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267108 716888450 /nfs/dbraw/zinc/88/84/50/716888450.db2.gz XLHGGUMUVYELPH-LSDHHAIUSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961267108 716888454 /nfs/dbraw/zinc/88/84/54/716888454.db2.gz XLHGGUMUVYELPH-LSDHHAIUSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414789 716937689 /nfs/dbraw/zinc/93/76/89/716937689.db2.gz GIMSNWXLMCOIIP-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000961414789 716937692 /nfs/dbraw/zinc/93/76/92/716937692.db2.gz GIMSNWXLMCOIIP-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963383638 717769824 /nfs/dbraw/zinc/76/98/24/717769824.db2.gz JXHIPCHTWRFUIP-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963383638 717769827 /nfs/dbraw/zinc/76/98/27/717769827.db2.gz JXHIPCHTWRFUIP-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473849 719177275 /nfs/dbraw/zinc/17/72/75/719177275.db2.gz OTSIVYOAJGOJGJ-KBPBESRZSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473849 719177279 /nfs/dbraw/zinc/17/72/79/719177279.db2.gz OTSIVYOAJGOJGJ-KBPBESRZSA-N 2 2 318.421 1.342 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996048 720591095 /nfs/dbraw/zinc/59/10/95/720591095.db2.gz HKAPWRIFNBCFAS-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CC2)C1 ZINC000950533195 720672787 /nfs/dbraw/zinc/67/27/87/720672787.db2.gz CWYHQNAKNZJGKY-KRWDZBQOSA-N 2 2 303.450 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CC2)C1 ZINC000950533195 720672790 /nfs/dbraw/zinc/67/27/90/720672790.db2.gz CWYHQNAKNZJGKY-KRWDZBQOSA-N 2 2 303.450 1.417 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970482529 720778234 /nfs/dbraw/zinc/77/82/34/720778234.db2.gz UYYINXLIKFMEKC-MRXNPFEDSA-N 2 2 323.400 1.225 20 30 DDEDLP C=CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897426 738785386 /nfs/dbraw/zinc/78/53/86/738785386.db2.gz NGMSMMCUFBWEOU-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897426 738785387 /nfs/dbraw/zinc/78/53/87/738785387.db2.gz NGMSMMCUFBWEOU-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897426 738785391 /nfs/dbraw/zinc/78/53/91/738785391.db2.gz NGMSMMCUFBWEOU-CJNGLKHVSA-N 2 2 317.437 1.557 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001027939574 738839902 /nfs/dbraw/zinc/83/99/02/738839902.db2.gz UDKIHCDKTFFQRH-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001027939574 738839906 /nfs/dbraw/zinc/83/99/06/738839906.db2.gz UDKIHCDKTFFQRH-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001027939574 738839909 /nfs/dbraw/zinc/83/99/09/738839909.db2.gz UDKIHCDKTFFQRH-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001027939574 738839912 /nfs/dbraw/zinc/83/99/12/738839912.db2.gz UDKIHCDKTFFQRH-SJORKVTESA-N 2 2 305.466 1.711 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449202 735241376 /nfs/dbraw/zinc/24/13/76/735241376.db2.gz JREYMLIEDCGFFO-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023449202 735241380 /nfs/dbraw/zinc/24/13/80/735241380.db2.gz JREYMLIEDCGFFO-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024515041 735891007 /nfs/dbraw/zinc/89/10/07/735891007.db2.gz KTROGDVEYABEQG-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024515041 735891009 /nfs/dbraw/zinc/89/10/09/735891009.db2.gz KTROGDVEYABEQG-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018131751 736351621 /nfs/dbraw/zinc/35/16/21/736351621.db2.gz FIKGPHMXGKUDJX-CALCHBBNSA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018131751 736351622 /nfs/dbraw/zinc/35/16/22/736351622.db2.gz FIKGPHMXGKUDJX-CALCHBBNSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304946 736414604 /nfs/dbraw/zinc/41/46/04/736414604.db2.gz RITQNWPJOQSGIN-SJORKVTESA-N 2 2 314.433 1.752 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304946 736414608 /nfs/dbraw/zinc/41/46/08/736414608.db2.gz RITQNWPJOQSGIN-SJORKVTESA-N 2 2 314.433 1.752 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300244 736415380 /nfs/dbraw/zinc/41/53/80/736415380.db2.gz AJKJYUQRBJMFAG-IRXDYDNUSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300244 736415381 /nfs/dbraw/zinc/41/53/81/736415381.db2.gz AJKJYUQRBJMFAG-IRXDYDNUSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007703732 736779400 /nfs/dbraw/zinc/77/94/00/736779400.db2.gz IPTNDRNNHDHZPJ-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007703732 736779401 /nfs/dbraw/zinc/77/94/01/736779401.db2.gz IPTNDRNNHDHZPJ-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001026562971 737662543 /nfs/dbraw/zinc/66/25/43/737662543.db2.gz YYMGSXXUTDZRCJ-NEXFUWMNSA-N 2 2 300.406 1.174 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001027245384 738125449 /nfs/dbraw/zinc/12/54/49/738125449.db2.gz UKUHQZAGELRKHT-KRWDZBQOSA-N 2 2 323.400 1.393 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027979758 738901275 /nfs/dbraw/zinc/90/12/75/738901275.db2.gz ABXOOSRZXWZUSU-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630256 740683512 /nfs/dbraw/zinc/68/35/12/740683512.db2.gz AQRUDILJJZNJJJ-OWCLPIDISA-N 2 2 314.433 1.438 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629196 740688689 /nfs/dbraw/zinc/68/86/89/740688689.db2.gz GRBUYDBWDRGIRD-SOUVJXGZSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629196 740688691 /nfs/dbraw/zinc/68/86/91/740688691.db2.gz GRBUYDBWDRGIRD-SOUVJXGZSA-N 2 2 300.406 1.048 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001088337985 741410820 /nfs/dbraw/zinc/41/08/20/741410820.db2.gz RZMXPXBEAINDKI-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001088414033 741472883 /nfs/dbraw/zinc/47/28/83/741472883.db2.gz VNFSRNDHJOWZBR-AWEZNQCLSA-N 2 2 302.422 1.681 20 30 DDEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001098642551 741845676 /nfs/dbraw/zinc/84/56/76/741845676.db2.gz GKMUFYWSCXSILE-CQSZACIVSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076053054 742508638 /nfs/dbraw/zinc/50/86/38/742508638.db2.gz MRTWROHRSFLPPN-WMLDXEAASA-N 2 2 314.433 1.481 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076053054 742508640 /nfs/dbraw/zinc/50/86/40/742508640.db2.gz MRTWROHRSFLPPN-WMLDXEAASA-N 2 2 314.433 1.481 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076422071 742723370 /nfs/dbraw/zinc/72/33/70/742723370.db2.gz WSXOTNNWUNIZJD-FUHWJXTLSA-N 2 2 320.396 1.652 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076422071 742723373 /nfs/dbraw/zinc/72/33/73/742723373.db2.gz WSXOTNNWUNIZJD-FUHWJXTLSA-N 2 2 320.396 1.652 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184798722 744102714 /nfs/dbraw/zinc/10/27/14/744102714.db2.gz JQRQLXBPBPCXQI-LSDHHAIUSA-N 2 2 310.401 1.655 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501251 744238057 /nfs/dbraw/zinc/23/80/57/744238057.db2.gz CWPFJJBLKUBTTN-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091651 744502945 /nfs/dbraw/zinc/50/29/45/744502945.db2.gz JUZHILAWZUCEPB-CYBMUJFWSA-N 2 2 306.410 1.080 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999145 745075172 /nfs/dbraw/zinc/07/51/72/745075172.db2.gz NBSVWXBOUXNBQN-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999145 745075175 /nfs/dbraw/zinc/07/51/75/745075175.db2.gz NBSVWXBOUXNBQN-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486886 745223881 /nfs/dbraw/zinc/22/38/81/745223881.db2.gz PNFJTBVSZCTEEU-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486886 745223885 /nfs/dbraw/zinc/22/38/85/745223885.db2.gz PNFJTBVSZCTEEU-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292906 745746184 /nfs/dbraw/zinc/74/61/84/745746184.db2.gz DBIOLXPQNCBMHL-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292906 745746188 /nfs/dbraw/zinc/74/61/88/745746188.db2.gz DBIOLXPQNCBMHL-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993514750 746209421 /nfs/dbraw/zinc/20/94/21/746209421.db2.gz IOTPAMZAPPQUHC-GXTWGEPZSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993514750 746209423 /nfs/dbraw/zinc/20/94/23/746209423.db2.gz IOTPAMZAPPQUHC-GXTWGEPZSA-N 2 2 306.410 1.505 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001036075701 752167151 /nfs/dbraw/zinc/16/71/51/752167151.db2.gz HEQPXFQVKSCUPO-HIFRSBDPSA-N 2 2 302.422 1.386 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922588 748138446 /nfs/dbraw/zinc/13/84/46/748138446.db2.gz JDMATVRIXRGLRF-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007678185 752270455 /nfs/dbraw/zinc/27/04/55/752270455.db2.gz JUODPUSFYFLOLD-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001007678185 752270459 /nfs/dbraw/zinc/27/04/59/752270459.db2.gz JUODPUSFYFLOLD-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004523440 748512307 /nfs/dbraw/zinc/51/23/07/748512307.db2.gz QRRUAYXIWQDIHR-KRWDZBQOSA-N 2 2 318.465 1.555 20 30 DDEDLP C[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004523440 748512310 /nfs/dbraw/zinc/51/23/10/748512310.db2.gz QRRUAYXIWQDIHR-KRWDZBQOSA-N 2 2 318.465 1.555 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001201802013 748606347 /nfs/dbraw/zinc/60/63/47/748606347.db2.gz XSZDQSHLDOLTCN-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001201802013 748606351 /nfs/dbraw/zinc/60/63/51/748606351.db2.gz XSZDQSHLDOLTCN-KRWDZBQOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033215123 748949585 /nfs/dbraw/zinc/94/95/85/748949585.db2.gz BNVIMQMNWKDCBF-ZDUSSCGKSA-N 2 2 306.410 1.459 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033215123 748949588 /nfs/dbraw/zinc/94/95/88/748949588.db2.gz BNVIMQMNWKDCBF-ZDUSSCGKSA-N 2 2 306.410 1.459 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445063 749219216 /nfs/dbraw/zinc/21/92/16/749219216.db2.gz IVAPLDXJILGGFN-XUWVNRHRSA-N 2 2 300.406 1.150 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445063 749219223 /nfs/dbraw/zinc/21/92/23/749219223.db2.gz IVAPLDXJILGGFN-XUWVNRHRSA-N 2 2 300.406 1.150 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996760439 750031633 /nfs/dbraw/zinc/03/16/33/750031633.db2.gz TYRDKGWPMYQEAR-CYBMUJFWSA-N 2 2 322.840 1.779 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646367 750108977 /nfs/dbraw/zinc/10/89/77/750108977.db2.gz YQMMOBOEFADFAD-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001095646367 750108980 /nfs/dbraw/zinc/10/89/80/750108980.db2.gz YQMMOBOEFADFAD-JHNDHUHGSA-N 2 2 314.433 1.743 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443591 750855391 /nfs/dbraw/zinc/85/53/91/750855391.db2.gz YVVHELUDORLVQQ-ULQDDVLXSA-N 2 2 303.450 1.273 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443591 750855400 /nfs/dbraw/zinc/85/54/00/750855400.db2.gz YVVHELUDORLVQQ-ULQDDVLXSA-N 2 2 303.450 1.273 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443591 750855409 /nfs/dbraw/zinc/85/54/09/750855409.db2.gz YVVHELUDORLVQQ-ULQDDVLXSA-N 2 2 303.450 1.273 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032443591 750855416 /nfs/dbraw/zinc/85/54/16/750855416.db2.gz YVVHELUDORLVQQ-ULQDDVLXSA-N 2 2 303.450 1.273 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999801738 753152425 /nfs/dbraw/zinc/15/24/25/753152425.db2.gz STEKEBDLRUZRCQ-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999801738 753152431 /nfs/dbraw/zinc/15/24/31/753152431.db2.gz STEKEBDLRUZRCQ-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005980896 753451233 /nfs/dbraw/zinc/45/12/33/753451233.db2.gz OWJPYIDDIUGCFG-HNNXBMFYSA-N 2 2 314.433 1.776 20 30 DDEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040508593 753459153 /nfs/dbraw/zinc/45/91/53/753459153.db2.gz BTFAWZCYELYABN-KRWDZBQOSA-N 2 2 300.406 1.208 20 30 DDEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040508593 753459158 /nfs/dbraw/zinc/45/91/58/753459158.db2.gz BTFAWZCYELYABN-KRWDZBQOSA-N 2 2 300.406 1.208 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081853711 756517024 /nfs/dbraw/zinc/51/70/24/756517024.db2.gz RXXJFEMGYPGMMP-HZPDHXFCSA-N 2 2 312.373 1.015 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081853711 756517031 /nfs/dbraw/zinc/51/70/31/756517031.db2.gz RXXJFEMGYPGMMP-HZPDHXFCSA-N 2 2 312.373 1.015 20 30 DDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040318942 762487279 /nfs/dbraw/zinc/48/72/79/762487279.db2.gz ADTMLGWEKBIMRN-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040318942 762487283 /nfs/dbraw/zinc/48/72/83/762487283.db2.gz ADTMLGWEKBIMRN-KRWDZBQOSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603278 756862945 /nfs/dbraw/zinc/86/29/45/756862945.db2.gz SFYIUOIUSDOSCZ-MRVWCRGKSA-N 2 2 322.840 1.635 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001016259981 756882623 /nfs/dbraw/zinc/88/26/23/756882623.db2.gz YSBGMFULFCTITM-QGZVFWFLSA-N 2 2 312.417 1.345 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001016259981 756882629 /nfs/dbraw/zinc/88/26/29/756882629.db2.gz YSBGMFULFCTITM-QGZVFWFLSA-N 2 2 312.417 1.345 20 30 DDEDLP 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ZINC001046430464 767552993 /nfs/dbraw/zinc/55/29/93/767552993.db2.gz BDLYTYNJBNBHFA-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132194698 768664870 /nfs/dbraw/zinc/66/48/70/768664870.db2.gz DBSOHYGFVWTIFC-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132194698 768664872 /nfs/dbraw/zinc/66/48/72/768664872.db2.gz DBSOHYGFVWTIFC-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134514 769518792 /nfs/dbraw/zinc/51/87/92/769518792.db2.gz FATGXZJOPRUMKH-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133195005 769578789 /nfs/dbraw/zinc/57/87/89/769578789.db2.gz NUHRFXRUQIOXSM-YPMHNXCESA-N 2 2 310.829 1.779 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241229 769618509 /nfs/dbraw/zinc/61/85/09/769618509.db2.gz GCXJTJMOTDUGEM-GJZGRUSLSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048953962 770160663 /nfs/dbraw/zinc/16/06/63/770160663.db2.gz GOJCXSHBHRPIHG-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048953962 770160664 /nfs/dbraw/zinc/16/06/64/770160664.db2.gz GOJCXSHBHRPIHG-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999035 770411915 /nfs/dbraw/zinc/41/19/15/770411915.db2.gz MDQDQZUUGJFMST-KBPBESRZSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999035 770411918 /nfs/dbraw/zinc/41/19/18/770411918.db2.gz MDQDQZUUGJFMST-KBPBESRZSA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049514072 770956856 /nfs/dbraw/zinc/95/68/56/770956856.db2.gz ZWPSBNZDRVBHEA-HZPDHXFCSA-N 2 2 300.406 1.431 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049514072 770956861 /nfs/dbraw/zinc/95/68/61/770956861.db2.gz ZWPSBNZDRVBHEA-HZPDHXFCSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519909 770968062 /nfs/dbraw/zinc/96/80/62/770968062.db2.gz VEMSYKOFYUOXDE-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049519909 770968066 /nfs/dbraw/zinc/96/80/66/770968066.db2.gz VEMSYKOFYUOXDE-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519909 770968069 /nfs/dbraw/zinc/96/80/69/770968069.db2.gz VEMSYKOFYUOXDE-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049519909 770968072 /nfs/dbraw/zinc/96/80/72/770968072.db2.gz VEMSYKOFYUOXDE-CVEARBPZSA-N 2 2 300.406 1.431 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845905 771203682 /nfs/dbraw/zinc/20/36/82/771203682.db2.gz CDHHHGKXWPWQAU-LSDHHAIUSA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845905 771203684 /nfs/dbraw/zinc/20/36/84/771203684.db2.gz CDHHHGKXWPWQAU-LSDHHAIUSA-N 2 2 314.433 1.776 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055996 771295985 /nfs/dbraw/zinc/29/59/85/771295985.db2.gz IWXVKXBXXSUTJI-HUUCEWRRSA-N 2 2 322.453 1.428 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001135589155 771603247 /nfs/dbraw/zinc/60/32/47/771603247.db2.gz KFVCBZQXYRPENK-HOTGVXAUSA-N 2 2 323.481 1.690 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152631 772450919 /nfs/dbraw/zinc/45/09/19/772450919.db2.gz RDHCZMBDEKGMHR-OAHLLOKOSA-N 2 2 320.437 1.257 20 30 DDEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152631 772450922 /nfs/dbraw/zinc/45/09/22/772450922.db2.gz RDHCZMBDEKGMHR-OAHLLOKOSA-N 2 2 320.437 1.257 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875087 773847532 /nfs/dbraw/zinc/84/75/32/773847532.db2.gz DTHDIUSSKBDRPU-PBHICJAKSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875087 773847536 /nfs/dbraw/zinc/84/75/36/773847536.db2.gz DTHDIUSSKBDRPU-PBHICJAKSA-N 2 2 302.422 1.319 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056333 773929659 /nfs/dbraw/zinc/92/96/59/773929659.db2.gz FERIRNVJIHBZMG-INMHGKMJSA-N 2 2 300.406 1.248 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092056333 773929662 /nfs/dbraw/zinc/92/96/62/773929662.db2.gz FERIRNVJIHBZMG-INMHGKMJSA-N 2 2 300.406 1.248 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778501 774594106 /nfs/dbraw/zinc/59/41/06/774594106.db2.gz UFCPXBRFTLZUSF-HZPDHXFCSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778501 774594107 /nfs/dbraw/zinc/59/41/07/774594107.db2.gz UFCPXBRFTLZUSF-HZPDHXFCSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001093574986 774849500 /nfs/dbraw/zinc/84/95/00/774849500.db2.gz KNEKFKBHONCDGO-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001093574986 774849510 /nfs/dbraw/zinc/84/95/10/774849510.db2.gz KNEKFKBHONCDGO-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869891 775006552 /nfs/dbraw/zinc/00/65/52/775006552.db2.gz LTVWGLLZBMLMOL-KBPBESRZSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869891 775006560 /nfs/dbraw/zinc/00/65/60/775006560.db2.gz LTVWGLLZBMLMOL-KBPBESRZSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882033 775948003 /nfs/dbraw/zinc/94/80/03/775948003.db2.gz FNBZATAVMJNETN-HOCLYGCPSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036882033 775948019 /nfs/dbraw/zinc/94/80/19/775948019.db2.gz FNBZATAVMJNETN-HOCLYGCPSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171596108 776361722 /nfs/dbraw/zinc/36/17/22/776361722.db2.gz KLZXGTHXYJRWIX-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100706741 776455976 /nfs/dbraw/zinc/45/59/76/776455976.db2.gz WAPJDBLRSMZOOV-UHFFFAOYSA-N 2 2 322.412 1.488 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926759 777687738 /nfs/dbraw/zinc/68/77/38/777687738.db2.gz ODVYHGGTJBKNJZ-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926759 777687742 /nfs/dbraw/zinc/68/77/42/777687742.db2.gz ODVYHGGTJBKNJZ-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402128 778146313 /nfs/dbraw/zinc/14/63/13/778146313.db2.gz QJBMFGLPLQQUNH-OAHLLOKOSA-N 2 2 304.438 1.641 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001177041438 778404694 /nfs/dbraw/zinc/40/46/94/778404694.db2.gz HPBMYRVCBBTKPD-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001177041438 778404697 /nfs/dbraw/zinc/40/46/97/778404697.db2.gz HPBMYRVCBBTKPD-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177041438 778404700 /nfs/dbraw/zinc/40/47/00/778404700.db2.gz HPBMYRVCBBTKPD-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001177041438 778404703 /nfs/dbraw/zinc/40/47/03/778404703.db2.gz HPBMYRVCBBTKPD-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001177347978 778561199 /nfs/dbraw/zinc/56/11/99/778561199.db2.gz WAJAYTCDWDRKKC-UHFFFAOYSA-N 2 2 324.428 1.811 20 30 DDEDLP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266326694 836124546 /nfs/dbraw/zinc/12/45/46/836124546.db2.gz HUVPAHCPRZEAOX-RRFJBIMHSA-N 2 2 304.438 1.926 20 30 DDEDLP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266326694 836124550 /nfs/dbraw/zinc/12/45/50/836124550.db2.gz HUVPAHCPRZEAOX-RRFJBIMHSA-N 2 2 304.438 1.926 20 30 DDEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414403 836224324 /nfs/dbraw/zinc/22/43/24/836224324.db2.gz BOSSUOSNQBHADL-CABCVRRESA-N 2 2 302.422 1.506 20 30 DDEDLP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268404329 840128646 /nfs/dbraw/zinc/12/86/46/840128646.db2.gz NAGUBVOLFAALAE-ZDUSSCGKSA-N 2 2 311.389 1.508 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268617678 840584664 /nfs/dbraw/zinc/58/46/64/840584664.db2.gz KDGRKFAHEBODNQ-IHWYPQMZSA-N 2 2 323.400 1.595 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001268690013 840678069 /nfs/dbraw/zinc/67/80/69/840678069.db2.gz HFYMEPOIYVDYKS-OVJSSFAUSA-N 2 2 318.248 1.497 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001268690013 840678078 /nfs/dbraw/zinc/67/80/78/840678078.db2.gz HFYMEPOIYVDYKS-OVJSSFAUSA-N 2 2 318.248 1.497 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288591 841473669 /nfs/dbraw/zinc/47/36/69/841473669.db2.gz XGXGNNVIBJNUDH-CABCVRRESA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001269288591 841473681 /nfs/dbraw/zinc/47/36/81/841473681.db2.gz XGXGNNVIBJNUDH-CABCVRRESA-N 2 2 304.438 1.850 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260787 848187585 /nfs/dbraw/zinc/18/75/85/848187585.db2.gz OBTPHJGYJCBKDJ-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260787 848187592 /nfs/dbraw/zinc/18/75/92/848187592.db2.gz OBTPHJGYJCBKDJ-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001327359902 862099764 /nfs/dbraw/zinc/09/97/64/862099764.db2.gz PYBXDKMWBROJID-OAHLLOKOSA-N 2 2 318.421 1.199 20 30 DDEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001273711761 851256313 /nfs/dbraw/zinc/25/63/13/851256313.db2.gz IAKFOHHAZDZZOE-QGZVFWFLSA-N 2 2 309.454 1.065 20 30 DDEDLP C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001273711761 851256323 /nfs/dbraw/zinc/25/63/23/851256323.db2.gz IAKFOHHAZDZZOE-QGZVFWFLSA-N 2 2 309.454 1.065 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001274003330 851831425 /nfs/dbraw/zinc/83/14/25/851831425.db2.gz ZZOKVUPXUIYANU-OAHLLOKOSA-N 2 2 318.421 1.113 20 30 DDEDLP N#CCCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274041962 851882736 /nfs/dbraw/zinc/88/27/36/851882736.db2.gz AEHGPFJVTBYUTK-KRWDZBQOSA-N 2 2 315.421 1.644 20 30 DDEDLP N#CCCCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274041962 851882748 /nfs/dbraw/zinc/88/27/48/851882748.db2.gz AEHGPFJVTBYUTK-KRWDZBQOSA-N 2 2 315.421 1.644 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048589 851890307 /nfs/dbraw/zinc/89/03/07/851890307.db2.gz MVTUPHHGYKLPOG-KJPDOMRESA-N 2 2 317.437 1.628 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048589 851890310 /nfs/dbraw/zinc/89/03/10/851890310.db2.gz MVTUPHHGYKLPOG-KJPDOMRESA-N 2 2 317.437 1.628 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001274405932 852235483 /nfs/dbraw/zinc/23/54/83/852235483.db2.gz BFDOJWMANYSJIK-UHFFFAOYSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CC[N@@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001274965389 852714323 /nfs/dbraw/zinc/71/43/23/852714323.db2.gz GDQSDPUSDKFCEZ-UHFFFAOYSA-N 2 2 316.449 1.857 20 30 DDEDLP C#CC[N@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001274965389 852714327 /nfs/dbraw/zinc/71/43/27/852714327.db2.gz GDQSDPUSDKFCEZ-UHFFFAOYSA-N 2 2 316.449 1.857 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001280596444 852756456 /nfs/dbraw/zinc/75/64/56/852756456.db2.gz RHXVXHFYNKZHFB-HOTGVXAUSA-N 2 2 320.437 1.473 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049557257 856973876 /nfs/dbraw/zinc/97/38/76/856973876.db2.gz FRKRRTINNSVXIV-BHYGNILZSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049557257 856973880 /nfs/dbraw/zinc/97/38/80/856973880.db2.gz FRKRRTINNSVXIV-BHYGNILZSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466117 858360475 /nfs/dbraw/zinc/36/04/75/858360475.db2.gz ZIJMTNSEHBUCIH-INIZCTEOSA-N 2 2 314.433 1.405 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466117 858360481 /nfs/dbraw/zinc/36/04/81/858360481.db2.gz ZIJMTNSEHBUCIH-INIZCTEOSA-N 2 2 314.433 1.405 20 30 DDEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001325861450 860894361 /nfs/dbraw/zinc/89/43/61/860894361.db2.gz RZKZUNOWUJNPDL-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001325861450 860894369 /nfs/dbraw/zinc/89/43/69/860894369.db2.gz RZKZUNOWUJNPDL-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001329256946 863564430 /nfs/dbraw/zinc/56/44/30/863564430.db2.gz QVRNOJZSBWYTNS-UHFFFAOYSA-N 2 2 316.449 1.735 20 30 DDEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001330599049 864477904 /nfs/dbraw/zinc/47/79/04/864477904.db2.gz HPMFTLFGTATFNX-SHTZXODSSA-N 2 2 314.433 1.270 20 30 DDEDLP N#CCC[NH2+]CC(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248306 864511881 /nfs/dbraw/zinc/51/18/81/864511881.db2.gz DYBGMFUCKJLBTC-LLVKDONJSA-N 2 2 318.343 1.165 20 30 DDEDLP N#CCc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158271314 864531236 /nfs/dbraw/zinc/53/12/36/864531236.db2.gz ZWQLCBZTORYEFZ-CYBMUJFWSA-N 2 2 319.840 1.803 20 30 DDEDLP N#CCc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158271314 864531246 /nfs/dbraw/zinc/53/12/46/864531246.db2.gz ZWQLCBZTORYEFZ-CYBMUJFWSA-N 2 2 319.840 1.803 20 30 DDEDLP CCOCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320399551 866708224 /nfs/dbraw/zinc/70/82/24/866708224.db2.gz QVBNLYKEBCEFOP-UHFFFAOYSA-N 2 2 309.385 1.965 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001162797598 867832095 /nfs/dbraw/zinc/83/20/95/867832095.db2.gz DNZRYMNPFBDKHV-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164491731 869229818 /nfs/dbraw/zinc/22/98/18/869229818.db2.gz NGNNMIDMDJBKGR-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=C(C)C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164491731 869229830 /nfs/dbraw/zinc/22/98/30/869229830.db2.gz NGNNMIDMDJBKGR-MRXNPFEDSA-N 2 2 309.454 1.302 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317001828 870107529 /nfs/dbraw/zinc/10/75/29/870107529.db2.gz MZNZUPVWCSFNRA-ZFWWWQNUSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317001828 870107537 /nfs/dbraw/zinc/10/75/37/870107537.db2.gz MZNZUPVWCSFNRA-ZFWWWQNUSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203442147 870562355 /nfs/dbraw/zinc/56/23/55/870562355.db2.gz JROXJECXOGAIJH-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377888 870738533 /nfs/dbraw/zinc/73/85/33/870738533.db2.gz VUSHGQYXXISYAO-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377888 870738548 /nfs/dbraw/zinc/73/85/48/870738548.db2.gz VUSHGQYXXISYAO-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204070130 870919718 /nfs/dbraw/zinc/91/97/18/870919718.db2.gz YIUQYDPICWSYLW-UHFFFAOYSA-N 2 2 320.437 1.447 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428235 872312565 /nfs/dbraw/zinc/31/25/65/872312565.db2.gz WICDQUDVTYFBID-HNNXBMFYSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001346738266 873872739 /nfs/dbraw/zinc/87/27/39/873872739.db2.gz NLESZQVYQKSGIL-CQSZACIVSA-N 2 2 301.394 1.020 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001346738266 873872764 /nfs/dbraw/zinc/87/27/64/873872764.db2.gz NLESZQVYQKSGIL-CQSZACIVSA-N 2 2 301.394 1.020 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227028601 882783731 /nfs/dbraw/zinc/78/37/31/882783731.db2.gz JGFLQOMFSREUEL-HZPDHXFCSA-N 2 2 315.417 1.673 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208454553 874157555 /nfs/dbraw/zinc/15/75/55/874157555.db2.gz XYOIXMYCDOLVCA-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208738202 874429751 /nfs/dbraw/zinc/42/97/51/874429751.db2.gz LCGWKAHBGVZHCQ-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738202 874429756 /nfs/dbraw/zinc/42/97/56/874429756.db2.gz LCGWKAHBGVZHCQ-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP N#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(O)cc1F ZINC001210267999 875300850 /nfs/dbraw/zinc/30/08/50/875300850.db2.gz QLTCGSRPXLXBEY-UHFFFAOYSA-N 2 2 313.336 1.951 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213781623 876054417 /nfs/dbraw/zinc/05/44/17/876054417.db2.gz SZYYAWGBEZWMQX-APHBMKBZSA-N 2 2 320.437 1.431 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001213781623 876054435 /nfs/dbraw/zinc/05/44/35/876054435.db2.gz SZYYAWGBEZWMQX-APHBMKBZSA-N 2 2 320.437 1.431 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067034 877897755 /nfs/dbraw/zinc/89/77/55/877897755.db2.gz GKFMPRZZGDWDMV-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067034 877897767 /nfs/dbraw/zinc/89/77/67/877897767.db2.gz GKFMPRZZGDWDMV-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP CCc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc(CC)c1C#N ZINC001219112720 877932481 /nfs/dbraw/zinc/93/24/81/877932481.db2.gz SLJVWKLSKFAUOW-NUJGCVRESA-N 2 2 312.417 1.843 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001227672732 883124198 /nfs/dbraw/zinc/12/41/98/883124198.db2.gz CEIIDEUFOWTUCM-HUUCEWRRSA-N 2 2 304.438 1.946 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001228669193 883608314 /nfs/dbraw/zinc/60/83/14/883608314.db2.gz NRLHPYNEZVIDGX-KLHDSHLOSA-N 2 2 314.433 1.564 20 30 DDEDLP C=CCN1C(=O)CCC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235515504 888699662 /nfs/dbraw/zinc/69/96/62/888699662.db2.gz BTJVCEXKTJDJLQ-AWEZNQCLSA-N 2 2 307.438 1.354 20 30 DDEDLP Cn1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c2cc(C#N)ccc21 ZINC001237473052 889653701 /nfs/dbraw/zinc/65/37/01/889653701.db2.gz QZHZTLLWGIECAH-UHFFFAOYSA-N 2 2 323.444 1.482 20 30 DDEDLP C=CCOC1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246143716 892439355 /nfs/dbraw/zinc/43/93/55/892439355.db2.gz LDJOPGFRXGTELB-CGZBRXJRSA-N 3 2 307.482 1.964 20 30 DDEDLP COc1ccc(C2([NH2+][C@@H]3CCN[C@H](C#N)C3)CC[NH2+]CC2)cc1 ZINC001246382184 892586247 /nfs/dbraw/zinc/58/62/47/892586247.db2.gz ZATJCJRPBKSAMJ-CVEARBPZSA-N 2 2 314.433 1.508 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006657 897798742 /nfs/dbraw/zinc/79/87/42/897798742.db2.gz PGTGFEVEEOVBMN-HZPDHXFCSA-N 2 2 316.449 1.777 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390477354 899495633 /nfs/dbraw/zinc/49/56/33/899495633.db2.gz CJQWGMRWDYHUNB-NSHDSACASA-N 2 2 315.352 1.257 20 30 DDEDLP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001263957503 900841483 /nfs/dbraw/zinc/84/14/83/900841483.db2.gz FFZOWLHCYOQKRU-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264636173 901240282 /nfs/dbraw/zinc/24/02/82/901240282.db2.gz OYLIOQBOSIBXKK-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264636173 901240299 /nfs/dbraw/zinc/24/02/99/901240299.db2.gz OYLIOQBOSIBXKK-INIZCTEOSA-N 2 2 320.437 1.135 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001280419063 903656497 /nfs/dbraw/zinc/65/64/97/903656497.db2.gz VWBXRERUHFHTKF-KRWDZBQOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001280419063 903656502 /nfs/dbraw/zinc/65/65/02/903656502.db2.gz VWBXRERUHFHTKF-KRWDZBQOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316618552 905653637 /nfs/dbraw/zinc/65/36/37/905653637.db2.gz NBIHIXGEFDIUMD-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329108797 539301041 /nfs/dbraw/zinc/30/10/41/539301041.db2.gz IOQMRSXCXIAFPI-HNNXBMFYSA-N 2 2 317.437 1.804 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329108797 539301042 /nfs/dbraw/zinc/30/10/42/539301042.db2.gz IOQMRSXCXIAFPI-HNNXBMFYSA-N 2 2 317.437 1.804 20 30 DDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CCC#N)cc[nH+]1 ZINC000331354229 529813460 /nfs/dbraw/zinc/81/34/60/529813460.db2.gz PLUUSHKEWGLVAA-STQMWFEESA-N 2 2 306.389 1.305 20 30 DDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CCC#N)cc[nH+]1 ZINC000331354229 529813462 /nfs/dbraw/zinc/81/34/62/529813462.db2.gz PLUUSHKEWGLVAA-STQMWFEESA-N 2 2 306.389 1.305 20 30 DDEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C[C@H](C)O1 ZINC000170909569 290798179 /nfs/dbraw/zinc/79/81/79/290798179.db2.gz HTYRLGHYCJDLOX-STQMWFEESA-N 2 2 305.426 1.696 20 30 DDEDLP C=C(Br)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441645 352611192 /nfs/dbraw/zinc/61/11/92/352611192.db2.gz ZUQGBRQFGXOTLG-UHFFFAOYSA-N 2 2 303.244 1.939 20 30 DDEDLP N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000591664648 355357066 /nfs/dbraw/zinc/35/70/66/355357066.db2.gz MZVXNJWMMCZVMA-UAGQMJEPSA-N 2 2 303.381 1.775 20 30 DDEDLP N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)ccc1F ZINC000591664648 355357069 /nfs/dbraw/zinc/35/70/69/355357069.db2.gz MZVXNJWMMCZVMA-UAGQMJEPSA-N 2 2 303.381 1.775 20 30 DDEDLP N#CC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000593653080 355955232 /nfs/dbraw/zinc/95/52/32/355955232.db2.gz BBIVMIQUWMVOBU-UHFFFAOYSA-N 2 2 320.481 1.457 20 30 DDEDLP N#CC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000593653080 355955235 /nfs/dbraw/zinc/95/52/35/355955235.db2.gz BBIVMIQUWMVOBU-UHFFFAOYSA-N 2 2 320.481 1.457 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000594437950 356214756 /nfs/dbraw/zinc/21/47/56/356214756.db2.gz YAOMWDNXVYMCQC-MRXNPFEDSA-N 2 2 315.421 1.137 20 30 DDEDLP Cc1c(C#N)cccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596802935 356981812 /nfs/dbraw/zinc/98/18/12/356981812.db2.gz JAPFQCWOVHOYMH-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP Cc1c(C#N)cccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596802935 356981817 /nfs/dbraw/zinc/98/18/17/356981817.db2.gz JAPFQCWOVHOYMH-UHFFFAOYSA-N 2 2 317.437 1.872 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[N@@H+]1C1CC1 ZINC000600732179 358300313 /nfs/dbraw/zinc/30/03/13/358300313.db2.gz XVOFOXHJKGVXNX-YCPHGPKFSA-N 2 2 307.438 1.273 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C[N@H+]1C1CC1 ZINC000600732179 358300316 /nfs/dbraw/zinc/30/03/16/358300316.db2.gz XVOFOXHJKGVXNX-YCPHGPKFSA-N 2 2 307.438 1.273 20 30 DDEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603429590 359635304 /nfs/dbraw/zinc/63/53/04/359635304.db2.gz YPLPYGDJNNIZAR-QGZVFWFLSA-N 2 2 322.497 1.703 20 30 DDEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000331166972 223190500 /nfs/dbraw/zinc/19/05/00/223190500.db2.gz YMSFJBYITLKDHC-CABCVRRESA-N 2 2 321.469 1.929 20 30 DDEDLP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1F ZINC000275319167 212269984 /nfs/dbraw/zinc/26/99/84/212269984.db2.gz SXBQQTXHOCYWMY-UHFFFAOYSA-N 2 2 319.424 1.978 20 30 DDEDLP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1F ZINC000275319167 212269988 /nfs/dbraw/zinc/26/99/88/212269988.db2.gz SXBQQTXHOCYWMY-UHFFFAOYSA-N 2 2 319.424 1.978 20 30 DDEDLP C=CCS(=O)(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000272921276 210308219 /nfs/dbraw/zinc/30/82/19/210308219.db2.gz YCFXPEDXNVEJOE-UHFFFAOYSA-N 2 2 309.435 1.241 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000115548732 407689952 /nfs/dbraw/zinc/68/99/52/407689952.db2.gz RQBCQGQEMQYFQQ-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000115548732 407689957 /nfs/dbraw/zinc/68/99/57/407689957.db2.gz RQBCQGQEMQYFQQ-UHFFFAOYSA-N 2 2 317.433 1.716 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171730780 407751006 /nfs/dbraw/zinc/75/10/06/407751006.db2.gz APZUULILPNIUDP-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171730780 407751012 /nfs/dbraw/zinc/75/10/12/407751012.db2.gz APZUULILPNIUDP-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP C[NH+]=C(NCc1cc(C)no1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179224463 407758871 /nfs/dbraw/zinc/75/88/71/407758871.db2.gz RMGDZXWCEFWMCA-IUODEOHRSA-N 2 2 316.409 1.838 20 30 DDEDLP C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000181277891 407975642 /nfs/dbraw/zinc/97/56/42/407975642.db2.gz SWVVTNWAYJWUBY-UHFFFAOYSA-N 2 2 317.433 1.965 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000136352870 408100919 /nfs/dbraw/zinc/10/09/19/408100919.db2.gz HDEZOURRSJUAAT-UHFFFAOYSA-N 2 2 310.405 1.671 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282383 408331226 /nfs/dbraw/zinc/33/12/26/408331226.db2.gz JNKRVIMZBBVRSR-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282383 408331238 /nfs/dbraw/zinc/33/12/38/408331238.db2.gz JNKRVIMZBBVRSR-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282383 408331245 /nfs/dbraw/zinc/33/12/45/408331245.db2.gz JNKRVIMZBBVRSR-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282383 408331247 /nfs/dbraw/zinc/33/12/47/408331247.db2.gz JNKRVIMZBBVRSR-HOTGVXAUSA-N 2 2 308.470 1.658 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815790 408543551 /nfs/dbraw/zinc/54/35/51/408543551.db2.gz IRNIUAJODCLNFP-BQFCYCMXSA-N 2 2 313.445 1.625 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815790 408543556 /nfs/dbraw/zinc/54/35/56/408543556.db2.gz IRNIUAJODCLNFP-BQFCYCMXSA-N 2 2 313.445 1.625 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285747023 408855798 /nfs/dbraw/zinc/85/57/98/408855798.db2.gz YMQMHSDUTJQVMD-IBGZPJMESA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285747023 408855801 /nfs/dbraw/zinc/85/58/01/408855801.db2.gz YMQMHSDUTJQVMD-IBGZPJMESA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285747023 408855806 /nfs/dbraw/zinc/85/58/06/408855806.db2.gz YMQMHSDUTJQVMD-IBGZPJMESA-N 2 2 313.445 1.887 20 30 DDEDLP C=CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285747023 408855808 /nfs/dbraw/zinc/85/58/08/408855808.db2.gz YMQMHSDUTJQVMD-IBGZPJMESA-N 2 2 313.445 1.887 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329801700 410445969 /nfs/dbraw/zinc/44/59/69/410445969.db2.gz JTZYFRXKUIZLGP-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329801700 410445972 /nfs/dbraw/zinc/44/59/72/410445972.db2.gz JTZYFRXKUIZLGP-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329801700 410445978 /nfs/dbraw/zinc/44/59/78/410445978.db2.gz JTZYFRXKUIZLGP-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329801700 410445985 /nfs/dbraw/zinc/44/59/85/410445985.db2.gz JTZYFRXKUIZLGP-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000348259731 410881043 /nfs/dbraw/zinc/88/10/43/410881043.db2.gz ALDFSHHDSIWZMM-XYPHTWIQSA-N 2 2 323.400 1.864 20 30 DDEDLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000348259731 410881048 /nfs/dbraw/zinc/88/10/48/410881048.db2.gz ALDFSHHDSIWZMM-XYPHTWIQSA-N 2 2 323.400 1.864 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCCCC1 ZINC000341914969 411082962 /nfs/dbraw/zinc/08/29/62/411082962.db2.gz NHABYDGAWMDUJI-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCCCC1 ZINC000341914969 411082968 /nfs/dbraw/zinc/08/29/68/411082968.db2.gz NHABYDGAWMDUJI-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000360343654 411129239 /nfs/dbraw/zinc/12/92/39/411129239.db2.gz MEMQTJBDQWHZNQ-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000360343654 411129242 /nfs/dbraw/zinc/12/92/42/411129242.db2.gz MEMQTJBDQWHZNQ-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP CC[C@]1(C)CCN(C(NCC[N@@H+]2CCOC(C)(C)C2)=[NH+]C)C1 ZINC000261723930 222255766 /nfs/dbraw/zinc/25/57/66/222255766.db2.gz IQYYHXMEMOKDRB-QGZVFWFLSA-N 2 2 310.486 1.795 20 30 DDEDLP CC[C@]1(C)CCN(C(NCC[N@H+]2CCOC(C)(C)C2)=[NH+]C)C1 ZINC000261723930 222255769 /nfs/dbraw/zinc/25/57/69/222255769.db2.gz IQYYHXMEMOKDRB-QGZVFWFLSA-N 2 2 310.486 1.795 20 30 DDEDLP C[NH+]=C(NCc1ccnn1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958944 222263130 /nfs/dbraw/zinc/26/31/30/222263130.db2.gz JOEJRQHEECNBEY-HIFRSBDPSA-N 2 2 315.425 1.275 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])N1CCOCC1 ZINC000264136066 222324153 /nfs/dbraw/zinc/32/41/53/222324153.db2.gz VFZDTGHZCCHJGU-UHFFFAOYSA-N 2 2 301.394 1.382 20 30 DDEDLP CN(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267014063 222366887 /nfs/dbraw/zinc/36/68/87/222366887.db2.gz NWLTZLXYXIZKSS-UHFFFAOYSA-N 2 2 304.394 1.006 20 30 DDEDLP C#CCC(CC#C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376986048 418703937 /nfs/dbraw/zinc/70/39/37/418703937.db2.gz CDGWQPQQICPERS-MRXNPFEDSA-N 2 2 315.461 1.276 20 30 DDEDLP C#CCC(CC#C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376986048 418703940 /nfs/dbraw/zinc/70/39/40/418703940.db2.gz CDGWQPQQICPERS-MRXNPFEDSA-N 2 2 315.461 1.276 20 30 DDEDLP C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363687311 418768966 /nfs/dbraw/zinc/76/89/66/418768966.db2.gz OFPRRMJQLHMHTN-QAPCUYQASA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363687311 418768969 /nfs/dbraw/zinc/76/89/69/418768969.db2.gz OFPRRMJQLHMHTN-QAPCUYQASA-N 2 2 323.481 1.500 20 30 DDEDLP Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425211545 228391855 /nfs/dbraw/zinc/39/18/55/228391855.db2.gz XJJTVRXJXGQCRE-CQSZACIVSA-N 2 2 300.406 1.951 20 30 DDEDLP Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C#N)c[nH+]1 ZINC000425211545 228391859 /nfs/dbraw/zinc/39/18/59/228391859.db2.gz XJJTVRXJXGQCRE-CQSZACIVSA-N 2 2 300.406 1.951 20 30 DDEDLP C=C[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425945386 419370726 /nfs/dbraw/zinc/37/07/26/419370726.db2.gz KNJNADSCTPWIOV-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000424189362 420312160 /nfs/dbraw/zinc/31/21/60/420312160.db2.gz KNCZJILSPJGUGT-JKSUJKDBSA-N 2 2 300.406 1.523 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000424189362 420312166 /nfs/dbraw/zinc/31/21/66/420312166.db2.gz KNCZJILSPJGUGT-JKSUJKDBSA-N 2 2 300.406 1.523 20 30 DDEDLP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000562960612 421431034 /nfs/dbraw/zinc/43/10/34/421431034.db2.gz RBGUMYKQRZIRCB-RRQGHBQHSA-N 2 2 312.417 1.784 20 30 DDEDLP C[NH+](C)CCc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000564868552 421594255 /nfs/dbraw/zinc/59/42/55/421594255.db2.gz TWIHQJFEHJMVED-INIZCTEOSA-N 2 2 304.438 1.409 20 30 DDEDLP C[NH+](C)CCc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000564868552 421594256 /nfs/dbraw/zinc/59/42/56/421594256.db2.gz TWIHQJFEHJMVED-INIZCTEOSA-N 2 2 304.438 1.409 20 30 DDEDLP CC(C)[N@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000536645339 421722777 /nfs/dbraw/zinc/72/27/77/421722777.db2.gz OEOCXUSBXIIMBA-UHFFFAOYSA-N 2 2 302.426 1.352 20 30 DDEDLP CC(C)[N@@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000536645339 421722779 /nfs/dbraw/zinc/72/27/79/421722779.db2.gz OEOCXUSBXIIMBA-UHFFFAOYSA-N 2 2 302.426 1.352 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980935 421674729 /nfs/dbraw/zinc/67/47/29/421674729.db2.gz WVJDGGPPZSVKTJ-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980935 421674732 /nfs/dbraw/zinc/67/47/32/421674732.db2.gz WVJDGGPPZSVKTJ-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980935 421674733 /nfs/dbraw/zinc/67/47/33/421674733.db2.gz WVJDGGPPZSVKTJ-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000518980935 421674734 /nfs/dbraw/zinc/67/47/34/421674734.db2.gz WVJDGGPPZSVKTJ-CQSZACIVSA-N 2 2 312.421 1.765 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000576629438 422376523 /nfs/dbraw/zinc/37/65/23/422376523.db2.gz CXLLURHTKTXFFD-PVAVHDDUSA-N 2 2 304.438 1.787 20 30 DDEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)nn1 ZINC000657448615 424350418 /nfs/dbraw/zinc/35/04/18/424350418.db2.gz MOKVWGHFLHDURG-HNNXBMFYSA-N 2 2 307.442 1.445 20 30 DDEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000657448615 424350422 /nfs/dbraw/zinc/35/04/22/424350422.db2.gz MOKVWGHFLHDURG-HNNXBMFYSA-N 2 2 307.442 1.445 20 30 DDEDLP Cc1cc(C#N)nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000376447614 267315356 /nfs/dbraw/zinc/31/53/56/267315356.db2.gz GNJZIWXTIAIMCS-AWEZNQCLSA-N 2 2 314.437 1.261 20 30 DDEDLP Cc1cc(C#N)nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000376447614 267315360 /nfs/dbraw/zinc/31/53/60/267315360.db2.gz GNJZIWXTIAIMCS-AWEZNQCLSA-N 2 2 314.437 1.261 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000530232641 268303669 /nfs/dbraw/zinc/30/36/69/268303669.db2.gz AUBPVCZCXFFRCI-ZIAGYGMSSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000530232641 268303671 /nfs/dbraw/zinc/30/36/71/268303671.db2.gz AUBPVCZCXFFRCI-ZIAGYGMSSA-N 2 2 312.373 1.168 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000160048714 276198279 /nfs/dbraw/zinc/19/82/79/276198279.db2.gz CCSPBDGHFPDXCJ-LJQANCHMSA-N 2 2 315.436 1.889 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000160048714 276198280 /nfs/dbraw/zinc/19/82/80/276198280.db2.gz CCSPBDGHFPDXCJ-LJQANCHMSA-N 2 2 315.436 1.889 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289426775 334165211 /nfs/dbraw/zinc/16/52/11/334165211.db2.gz RFSWVUKBAHDKEF-SJLPKXTDSA-N 2 2 314.433 1.784 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289426775 334165213 /nfs/dbraw/zinc/16/52/13/334165213.db2.gz RFSWVUKBAHDKEF-SJLPKXTDSA-N 2 2 314.433 1.784 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516488580 338012607 /nfs/dbraw/zinc/01/26/07/338012607.db2.gz VBXLKWNBGOXOPX-AWEZNQCLSA-N 2 2 305.426 1.345 20 30 DDEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656251552 484047512 /nfs/dbraw/zinc/04/75/12/484047512.db2.gz QKZOGOOFSLRCST-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656251552 484047516 /nfs/dbraw/zinc/04/75/16/484047516.db2.gz QKZOGOOFSLRCST-MRXNPFEDSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000361682834 484524257 /nfs/dbraw/zinc/52/42/57/484524257.db2.gz RTYVGCUAIMAEPZ-AWEZNQCLSA-N 2 2 302.422 1.957 20 30 DDEDLP C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683834775 486121678 /nfs/dbraw/zinc/12/16/78/486121678.db2.gz NQCFIKMMLVAHPS-HZPDHXFCSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683834775 486121686 /nfs/dbraw/zinc/12/16/86/486121686.db2.gz NQCFIKMMLVAHPS-HZPDHXFCSA-N 2 2 320.481 1.905 20 30 DDEDLP C=C(C)[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346204372 526826889 /nfs/dbraw/zinc/82/68/89/526826889.db2.gz BEDIHVUQXCPXJZ-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000491705616 526950306 /nfs/dbraw/zinc/95/03/06/526950306.db2.gz VWMRHSVTTKRZBU-ZDUSSCGKSA-N 2 2 320.824 1.163 20 30 DDEDLP C#CC[C@@H]([NH2+]CC(=O)N1CC[NH+](CC#C)CC1)c1ccccc1 ZINC000490916016 527164767 /nfs/dbraw/zinc/16/47/67/527164767.db2.gz REYXBBXGADKRCH-GOSISDBHSA-N 2 2 309.413 1.118 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980225002 696712141 /nfs/dbraw/zinc/71/21/41/696712141.db2.gz BYQYOAVWMNGAJY-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980225002 696712144 /nfs/dbraw/zinc/71/21/44/696712144.db2.gz BYQYOAVWMNGAJY-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980223755 696712337 /nfs/dbraw/zinc/71/23/37/696712337.db2.gz XLLBOHHYNRVRMV-KKUMJFAQSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980223755 696712339 /nfs/dbraw/zinc/71/23/39/696712339.db2.gz XLLBOHHYNRVRMV-KKUMJFAQSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739574 695723056 /nfs/dbraw/zinc/72/30/56/695723056.db2.gz DVFHNXPCOCVZLF-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739574 695723059 /nfs/dbraw/zinc/72/30/59/695723059.db2.gz DVFHNXPCOCVZLF-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978714936 696445102 /nfs/dbraw/zinc/44/51/02/696445102.db2.gz UQWWIDAHUJWPNN-TUVASFSCSA-N 2 2 314.433 1.700 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978714936 696445103 /nfs/dbraw/zinc/44/51/03/696445103.db2.gz UQWWIDAHUJWPNN-TUVASFSCSA-N 2 2 314.433 1.700 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454224 696777525 /nfs/dbraw/zinc/77/75/25/696777525.db2.gz PKRCMPAPVJXYLM-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454224 696777527 /nfs/dbraw/zinc/77/75/27/696777527.db2.gz PKRCMPAPVJXYLM-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838014 696937913 /nfs/dbraw/zinc/93/79/13/696937913.db2.gz JOWWSBAMUUIQPZ-MRXNPFEDSA-N 2 2 314.433 1.312 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838014 696937916 /nfs/dbraw/zinc/93/79/16/696937916.db2.gz JOWWSBAMUUIQPZ-MRXNPFEDSA-N 2 2 314.433 1.312 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000981454462 697101266 /nfs/dbraw/zinc/10/12/66/697101266.db2.gz RNSVPRRLJIPQIK-CABCVRRESA-N 2 2 323.400 1.531 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613713 698695351 /nfs/dbraw/zinc/69/53/51/698695351.db2.gz VAWJNXUSQQDANA-CJNGLKHVSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449923 699328221 /nfs/dbraw/zinc/32/82/21/699328221.db2.gz WPTMGSWKYMQLFI-YXJHDRRASA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449923 699328223 /nfs/dbraw/zinc/32/82/23/699328223.db2.gz WPTMGSWKYMQLFI-YXJHDRRASA-N 2 2 314.433 1.745 20 30 DDEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000815571274 701898768 /nfs/dbraw/zinc/89/87/68/701898768.db2.gz ZHPPVNGNYSSXAR-AWEZNQCLSA-N 2 2 315.408 1.825 20 30 DDEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000815571274 701898776 /nfs/dbraw/zinc/89/87/76/701898776.db2.gz ZHPPVNGNYSSXAR-AWEZNQCLSA-N 2 2 315.408 1.825 20 30 DDEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000814113662 702479841 /nfs/dbraw/zinc/47/98/41/702479841.db2.gz RNVYUQCWYPUJTA-AWEZNQCLSA-N 2 2 316.405 1.392 20 30 DDEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000814113662 702479846 /nfs/dbraw/zinc/47/98/46/702479846.db2.gz RNVYUQCWYPUJTA-AWEZNQCLSA-N 2 2 316.405 1.392 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000844133703 702976027 /nfs/dbraw/zinc/97/60/27/702976027.db2.gz ACVNOSUCDWJWMH-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C[NH+](C)CCOc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848418699 703548084 /nfs/dbraw/zinc/54/80/84/703548084.db2.gz LYBQRCPFPBPGNQ-UHFFFAOYSA-N 2 2 315.421 1.837 20 30 DDEDLP C#Cc1cccc(NC(=S)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849279767 703631020 /nfs/dbraw/zinc/63/10/20/703631020.db2.gz HFCYQSZZAKQCDF-UHFFFAOYSA-N 2 2 318.490 1.838 20 30 DDEDLP C#Cc1cccc(NC(=S)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000849279767 703631021 /nfs/dbraw/zinc/63/10/21/703631021.db2.gz HFCYQSZZAKQCDF-UHFFFAOYSA-N 2 2 318.490 1.838 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142583 706890132 /nfs/dbraw/zinc/89/01/32/706890132.db2.gz QPFHGPGMFXWZGV-BZUAXINKSA-N 2 2 307.438 1.226 20 30 DDEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142583 706890134 /nfs/dbraw/zinc/89/01/34/706890134.db2.gz QPFHGPGMFXWZGV-BZUAXINKSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142583 706890136 /nfs/dbraw/zinc/89/01/36/706890136.db2.gz QPFHGPGMFXWZGV-BZUAXINKSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000880142583 706890138 /nfs/dbraw/zinc/89/01/38/706890138.db2.gz QPFHGPGMFXWZGV-BZUAXINKSA-N 2 2 307.438 1.226 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596143 707951396 /nfs/dbraw/zinc/95/13/96/707951396.db2.gz WPHMZDUUGSQPPJ-IAGOWNOFSA-N 2 2 320.481 1.454 20 30 DDEDLP C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000838596143 707951398 /nfs/dbraw/zinc/95/13/98/707951398.db2.gz WPHMZDUUGSQPPJ-IAGOWNOFSA-N 2 2 320.481 1.454 20 30 DDEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902775748 710897731 /nfs/dbraw/zinc/89/77/31/710897731.db2.gz ARQHVQFSLKCKNV-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP N#CC1CCC(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000903448479 711130223 /nfs/dbraw/zinc/13/02/23/711130223.db2.gz GLLHZQCYVMXXER-UYSNPLJNSA-N 2 2 304.438 1.213 20 30 DDEDLP N#CC1CCC(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000903448479 711130224 /nfs/dbraw/zinc/13/02/24/711130224.db2.gz GLLHZQCYVMXXER-UYSNPLJNSA-N 2 2 304.438 1.213 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806619 711286217 /nfs/dbraw/zinc/28/62/17/711286217.db2.gz YLQWZXHMIDVWMO-NUJGCVRESA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806619 711286218 /nfs/dbraw/zinc/28/62/18/711286218.db2.gz YLQWZXHMIDVWMO-NUJGCVRESA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903865547 711308425 /nfs/dbraw/zinc/30/84/25/711308425.db2.gz ZYDQSROMYNCQHE-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903865547 711308428 /nfs/dbraw/zinc/30/84/28/711308428.db2.gz ZYDQSROMYNCQHE-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000964029933 717970870 /nfs/dbraw/zinc/97/08/70/717970870.db2.gz BJZWDWPREJFAEO-UHFFFAOYSA-N 2 2 315.417 1.836 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541920 715947820 /nfs/dbraw/zinc/94/78/20/715947820.db2.gz KBTPWSNZFFEZFK-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157750 716841205 /nfs/dbraw/zinc/84/12/05/716841205.db2.gz NNTXWEQYGQKIQZ-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000961157750 716841213 /nfs/dbraw/zinc/84/12/13/716841213.db2.gz NNTXWEQYGQKIQZ-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256047 716884444 /nfs/dbraw/zinc/88/44/44/716884444.db2.gz QVRMTKDOTHTBGC-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961256047 716884449 /nfs/dbraw/zinc/88/44/49/716884449.db2.gz QVRMTKDOTHTBGC-HZPDHXFCSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851309 716993284 /nfs/dbraw/zinc/99/32/84/716993284.db2.gz VFCHXUVDDCOJLL-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851309 716993287 /nfs/dbraw/zinc/99/32/87/716993287.db2.gz VFCHXUVDDCOJLL-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487067 717697316 /nfs/dbraw/zinc/69/73/16/717697316.db2.gz QMSAVIZAVPSDSB-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942487067 717697320 /nfs/dbraw/zinc/69/73/20/717697320.db2.gz QMSAVIZAVPSDSB-HUUCEWRRSA-N 2 2 310.401 1.798 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471335 719176571 /nfs/dbraw/zinc/17/65/71/719176571.db2.gz ASIONTVNURONCP-UONOGXRCSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471335 719176572 /nfs/dbraw/zinc/17/65/72/719176572.db2.gz ASIONTVNURONCP-UONOGXRCSA-N 2 2 320.437 1.895 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570101 719554577 /nfs/dbraw/zinc/55/45/77/719554577.db2.gz HGWQENQVYAPSER-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570101 719554580 /nfs/dbraw/zinc/55/45/80/719554580.db2.gz HGWQENQVYAPSER-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968551986 719661304 /nfs/dbraw/zinc/66/13/04/719661304.db2.gz APLLYLBCTWLZDY-DZGCQCFKSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968551986 719661306 /nfs/dbraw/zinc/66/13/06/719661306.db2.gz APLLYLBCTWLZDY-DZGCQCFKSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970001756 720594142 /nfs/dbraw/zinc/59/41/42/720594142.db2.gz SHOZZORTZVZVPQ-OCCSQVGLSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970001756 720594145 /nfs/dbraw/zinc/59/41/45/720594145.db2.gz SHOZZORTZVZVPQ-OCCSQVGLSA-N 2 2 316.449 1.836 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000950513589 720666206 /nfs/dbraw/zinc/66/62/06/720666206.db2.gz HZRYMIGGBMRDQX-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000950514242 720666761 /nfs/dbraw/zinc/66/67/61/720666761.db2.gz SIDQQMFNKNWEMQ-OAHLLOKOSA-N 2 2 302.422 1.474 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970439589 720761922 /nfs/dbraw/zinc/76/19/22/720761922.db2.gz JQMSVATYIIAMDP-NWANDNLSSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970439588 720761967 /nfs/dbraw/zinc/76/19/67/720761967.db2.gz JQMSVATYIIAMDP-BPLDGKMQSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000970803444 720941958 /nfs/dbraw/zinc/94/19/58/720941958.db2.gz JBEHGPNDKBVYEF-CVEARBPZSA-N 2 2 302.422 1.451 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001020635329 732582335 /nfs/dbraw/zinc/58/23/35/732582335.db2.gz RGHJINCWMXYUOC-SHTZXODSSA-N 2 2 309.373 1.261 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021572570 733328222 /nfs/dbraw/zinc/32/82/22/733328222.db2.gz AYVBHUDBNICNDL-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021572570 733328224 /nfs/dbraw/zinc/32/82/24/733328224.db2.gz AYVBHUDBNICNDL-HOTGVXAUSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314177 733467102 /nfs/dbraw/zinc/46/71/02/733467102.db2.gz IJDUTRDWBLGXSX-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314177 733467104 /nfs/dbraw/zinc/46/71/04/733467104.db2.gz IJDUTRDWBLGXSX-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723929 733486599 /nfs/dbraw/zinc/48/65/99/733486599.db2.gz GWICBYLCELLLSE-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]cn2C)C1 ZINC001021723929 733486600 /nfs/dbraw/zinc/48/66/00/733486600.db2.gz GWICBYLCELLLSE-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449251 735240987 /nfs/dbraw/zinc/24/09/87/735240987.db2.gz LDQVCVITIXCJBZ-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449251 735240989 /nfs/dbraw/zinc/24/09/89/735240989.db2.gz LDQVCVITIXCJBZ-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451101 735244059 /nfs/dbraw/zinc/24/40/59/735244059.db2.gz FQQNANYUCSLUOY-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451101 735244062 /nfs/dbraw/zinc/24/40/62/735244062.db2.gz FQQNANYUCSLUOY-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516340 735893126 /nfs/dbraw/zinc/89/31/26/735893126.db2.gz IKIBLJOCNBPNBX-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516340 735893129 /nfs/dbraw/zinc/89/31/29/735893129.db2.gz IKIBLJOCNBPNBX-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028260000 739246033 /nfs/dbraw/zinc/24/60/33/739246033.db2.gz SOOFXPJNWKRJGQ-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028260000 739246036 /nfs/dbraw/zinc/24/60/36/739246036.db2.gz SOOFXPJNWKRJGQ-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997974760 751433823 /nfs/dbraw/zinc/43/38/23/751433823.db2.gz HRQYDRLPNVCLPC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997974760 751433825 /nfs/dbraw/zinc/43/38/25/751433825.db2.gz HRQYDRLPNVCLPC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997974760 751433829 /nfs/dbraw/zinc/43/38/29/751433829.db2.gz HRQYDRLPNVCLPC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997974760 751433830 /nfs/dbraw/zinc/43/38/30/751433830.db2.gz HRQYDRLPNVCLPC-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976822 751436046 /nfs/dbraw/zinc/43/60/46/751436046.db2.gz OGMLHIRSMZRDQM-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976822 751436049 /nfs/dbraw/zinc/43/60/49/751436049.db2.gz OGMLHIRSMZRDQM-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997976822 751436053 /nfs/dbraw/zinc/43/60/53/751436053.db2.gz OGMLHIRSMZRDQM-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976822 751436056 /nfs/dbraw/zinc/43/60/56/751436056.db2.gz OGMLHIRSMZRDQM-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631395 740684341 /nfs/dbraw/zinc/68/43/41/740684341.db2.gz YGHBAZGZSYOBEC-JLJPHGGASA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H]1CC ZINC001087631395 740684342 /nfs/dbraw/zinc/68/43/42/740684342.db2.gz YGHBAZGZSYOBEC-JLJPHGGASA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631395 740684344 /nfs/dbraw/zinc/68/43/44/740684344.db2.gz YGHBAZGZSYOBEC-JLJPHGGASA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H]1CC ZINC001087631395 740684346 /nfs/dbraw/zinc/68/43/46/740684346.db2.gz YGHBAZGZSYOBEC-JLJPHGGASA-N 2 2 316.449 1.978 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088017958 740950726 /nfs/dbraw/zinc/95/07/26/740950726.db2.gz AICRIFGSNNXZOZ-PMPSAXMXSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088017958 740950728 /nfs/dbraw/zinc/95/07/28/740950728.db2.gz AICRIFGSNNXZOZ-PMPSAXMXSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001088338129 741411178 /nfs/dbraw/zinc/41/11/78/741411178.db2.gz VVTQWNVENNLIEZ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001088352193 741428077 /nfs/dbraw/zinc/42/80/77/741428077.db2.gz VKKPVULXXSSIDA-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107982594 751664535 /nfs/dbraw/zinc/66/45/35/751664535.db2.gz WJYXJOXCOOHAFW-AEFFLSMTSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982594 751664540 /nfs/dbraw/zinc/66/45/40/751664540.db2.gz WJYXJOXCOOHAFW-AEFFLSMTSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982594 751664544 /nfs/dbraw/zinc/66/45/44/751664544.db2.gz WJYXJOXCOOHAFW-AEFFLSMTSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982594 751664547 /nfs/dbraw/zinc/66/45/47/751664547.db2.gz WJYXJOXCOOHAFW-AEFFLSMTSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582392 741899056 /nfs/dbraw/zinc/89/90/56/741899056.db2.gz MXABPSHKPPKXLT-HIFRSBDPSA-N 2 2 302.422 1.527 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001088582392 741899060 /nfs/dbraw/zinc/89/90/60/741899060.db2.gz MXABPSHKPPKXLT-HIFRSBDPSA-N 2 2 302.422 1.527 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077081788 743227935 /nfs/dbraw/zinc/22/79/35/743227935.db2.gz LDIIHQYDTQQRMA-ZIAGYGMSSA-N 2 2 323.462 1.161 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077081788 743227939 /nfs/dbraw/zinc/22/79/39/743227939.db2.gz LDIIHQYDTQQRMA-ZIAGYGMSSA-N 2 2 323.462 1.161 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181786555 743341443 /nfs/dbraw/zinc/34/14/43/743341443.db2.gz HGYHDLAYGKHIRI-VMUDFCTBSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181786555 743341451 /nfs/dbraw/zinc/34/14/51/743341451.db2.gz HGYHDLAYGKHIRI-VMUDFCTBSA-N 2 2 302.422 1.773 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767713 743721558 /nfs/dbraw/zinc/72/15/58/743721558.db2.gz ICBFARKTMQRQGK-SOLBZPMBSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183764742 743899908 /nfs/dbraw/zinc/89/99/08/743899908.db2.gz GDISIQXRSYYMLE-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185204545 744179730 /nfs/dbraw/zinc/17/97/30/744179730.db2.gz JRTWNWQCHGTTTP-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185216085 744181872 /nfs/dbraw/zinc/18/18/72/744181872.db2.gz NXFHAFOPQSDHGS-GJZGRUSLSA-N 2 2 320.437 1.229 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501386 744237970 /nfs/dbraw/zinc/23/79/70/744237970.db2.gz DOHDNFLOKIFKEL-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001188172214 744668701 /nfs/dbraw/zinc/66/87/01/744668701.db2.gz BHZPTHZPUKFZPV-SJORKVTESA-N 2 2 316.449 1.841 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035844211 751940684 /nfs/dbraw/zinc/94/06/84/751940684.db2.gz OXUFXBNDECYRHV-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992818123 745220750 /nfs/dbraw/zinc/22/07/50/745220750.db2.gz HNHHEMCVXUWOBT-FVQBIDKESA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191011956 745404413 /nfs/dbraw/zinc/40/44/13/745404413.db2.gz VSGDMOZIEFRAKV-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191011956 745404415 /nfs/dbraw/zinc/40/44/15/745404415.db2.gz VSGDMOZIEFRAKV-RDJZCZTQSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655709 745877832 /nfs/dbraw/zinc/87/78/32/745877832.db2.gz ZUORTRFJOWBNBU-RBSFLKMASA-N 2 2 314.433 1.537 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655955 745878434 /nfs/dbraw/zinc/87/84/34/745878434.db2.gz JKPQHVKQWTVOBA-MGPQQGTHSA-N 2 2 300.406 1.147 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993349391 746017569 /nfs/dbraw/zinc/01/75/69/746017569.db2.gz KVULFETUDBWNMG-HOCLYGCPSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993349391 746017573 /nfs/dbraw/zinc/01/75/73/746017573.db2.gz KVULFETUDBWNMG-HOCLYGCPSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001003141529 747008938 /nfs/dbraw/zinc/00/89/38/747008938.db2.gz YIVZFWWRVRUEFZ-UHFFFAOYSA-N 2 2 303.406 1.789 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC#C ZINC001089654268 747578841 /nfs/dbraw/zinc/57/88/41/747578841.db2.gz WFZVOBHBRHKRJA-IRXDYDNUSA-N 2 2 315.461 1.324 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC#C ZINC001089654268 747578848 /nfs/dbraw/zinc/57/88/48/747578848.db2.gz WFZVOBHBRHKRJA-IRXDYDNUSA-N 2 2 315.461 1.324 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC#C ZINC001089654268 747578855 /nfs/dbraw/zinc/57/88/55/747578855.db2.gz WFZVOBHBRHKRJA-IRXDYDNUSA-N 2 2 315.461 1.324 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC#C ZINC001089654268 747578862 /nfs/dbraw/zinc/57/88/62/747578862.db2.gz WFZVOBHBRHKRJA-IRXDYDNUSA-N 2 2 315.461 1.324 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922424 748137513 /nfs/dbraw/zinc/13/75/13/748137513.db2.gz CPFWSOIDVWIZCG-ZWNOBZJWSA-N 2 2 310.829 1.697 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077732 748210290 /nfs/dbraw/zinc/21/02/90/748210290.db2.gz HPKLPKOHXFZGKR-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033077732 748210297 /nfs/dbraw/zinc/21/02/97/748210297.db2.gz HPKLPKOHXFZGKR-INIZCTEOSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627530 748597424 /nfs/dbraw/zinc/59/74/24/748597424.db2.gz ZYFBXNMDAFQETK-QGZVFWFLSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627530 748597426 /nfs/dbraw/zinc/59/74/26/748597426.db2.gz ZYFBXNMDAFQETK-QGZVFWFLSA-N 2 2 314.433 1.609 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709373 752287806 /nfs/dbraw/zinc/28/78/06/752287806.db2.gz YUZDFHZJKWNFKK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709373 752287810 /nfs/dbraw/zinc/28/78/10/752287810.db2.gz YUZDFHZJKWNFKK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446493 748782631 /nfs/dbraw/zinc/78/26/31/748782631.db2.gz BYBYYQCBYUVWGD-CQSZACIVSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206199 748919257 /nfs/dbraw/zinc/91/92/57/748919257.db2.gz GWSPVEBLPDLBHJ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206199 748919262 /nfs/dbraw/zinc/91/92/62/748919262.db2.gz GWSPVEBLPDLBHJ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552128 749385531 /nfs/dbraw/zinc/38/55/31/749385531.db2.gz JTPPDZNPGZHVMX-HUUCEWRRSA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535161 749497237 /nfs/dbraw/zinc/49/72/37/749497237.db2.gz CLNJKLYWQWERSY-MRXNPFEDSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535161 749497241 /nfs/dbraw/zinc/49/72/41/749497241.db2.gz CLNJKLYWQWERSY-MRXNPFEDSA-N 2 2 309.373 1.047 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996729618 750001678 /nfs/dbraw/zinc/00/16/78/750001678.db2.gz DZXJZFFXTQJGEF-ZDUSSCGKSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876517 750012454 /nfs/dbraw/zinc/01/24/54/750012454.db2.gz VQSBSMZUQVFSMZ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876517 750012460 /nfs/dbraw/zinc/01/24/60/750012460.db2.gz VQSBSMZUQVFSMZ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000996855890 750210357 /nfs/dbraw/zinc/21/03/57/750210357.db2.gz IODLVROCVMAPMC-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996855890 750210362 /nfs/dbraw/zinc/21/03/62/750210362.db2.gz IODLVROCVMAPMC-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445882 762039076 /nfs/dbraw/zinc/03/90/76/762039076.db2.gz KTUZYSAKPUOZEK-ZACQAIPSSA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445882 762039085 /nfs/dbraw/zinc/03/90/85/762039085.db2.gz KTUZYSAKPUOZEK-ZACQAIPSSA-N 2 2 314.433 1.923 20 30 DDEDLP N#Cc1cc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)ccc1F ZINC001128986038 750681795 /nfs/dbraw/zinc/68/17/95/750681795.db2.gz CNFOEUSVTBSZEY-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP N#Cc1cc(C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)ccc1F ZINC001128986038 750681798 /nfs/dbraw/zinc/68/17/98/750681798.db2.gz CNFOEUSVTBSZEY-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245793 751326363 /nfs/dbraw/zinc/32/63/63/751326363.db2.gz FXAGZHHIVCOGLF-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035245793 751326370 /nfs/dbraw/zinc/32/63/70/751326370.db2.gz FXAGZHHIVCOGLF-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999385430 752880068 /nfs/dbraw/zinc/88/00/68/752880068.db2.gz NAKUFIGDDZMNSG-RUXDESIVSA-N 2 2 302.422 1.985 20 30 DDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999537808 752981250 /nfs/dbraw/zinc/98/12/50/752981250.db2.gz UVIOSNXMRGKSRK-KBPBESRZSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999537808 752981253 /nfs/dbraw/zinc/98/12/53/752981253.db2.gz UVIOSNXMRGKSRK-KBPBESRZSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080208706 755764964 /nfs/dbraw/zinc/76/49/64/755764964.db2.gz SNFLJYJUCBJKEY-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001080208706 755764966 /nfs/dbraw/zinc/76/49/66/755764966.db2.gz SNFLJYJUCBJKEY-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844382 756512009 /nfs/dbraw/zinc/51/20/09/756512009.db2.gz MHHVEQKOOHIYIJ-HUUCEWRRSA-N 2 2 320.437 1.318 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844382 756512015 /nfs/dbraw/zinc/51/20/15/756512015.db2.gz MHHVEQKOOHIYIJ-HUUCEWRRSA-N 2 2 320.437 1.318 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001016108610 756766284 /nfs/dbraw/zinc/76/62/84/756766284.db2.gz VXWDZEYSLHYVNV-INIZCTEOSA-N 2 2 323.400 1.523 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001016108610 756766287 /nfs/dbraw/zinc/76/62/87/756766287.db2.gz VXWDZEYSLHYVNV-INIZCTEOSA-N 2 2 323.400 1.523 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461629 757578492 /nfs/dbraw/zinc/57/84/92/757578492.db2.gz KLMWVUVTVLNWBE-ZMSDIMECSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461629 757578498 /nfs/dbraw/zinc/57/84/98/757578498.db2.gz KLMWVUVTVLNWBE-ZMSDIMECSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084445654 757602091 /nfs/dbraw/zinc/60/20/91/757602091.db2.gz APYVUVYPAGXIPH-HUUCEWRRSA-N 2 2 302.422 1.645 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084445654 757602097 /nfs/dbraw/zinc/60/20/97/757602097.db2.gz APYVUVYPAGXIPH-HUUCEWRRSA-N 2 2 302.422 1.645 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540153 757648852 /nfs/dbraw/zinc/64/88/52/757648852.db2.gz XPQUPXPIIWTDEK-HUUCEWRRSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540153 757648859 /nfs/dbraw/zinc/64/88/59/757648859.db2.gz XPQUPXPIIWTDEK-HUUCEWRRSA-N 2 2 302.422 1.462 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001135496 762579352 /nfs/dbraw/zinc/57/93/52/762579352.db2.gz DBQDSWOJDKYDKK-OAHLLOKOSA-N 2 2 312.417 1.601 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001135496 762579359 /nfs/dbraw/zinc/57/93/59/762579359.db2.gz DBQDSWOJDKYDKK-OAHLLOKOSA-N 2 2 312.417 1.601 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104330 758155289 /nfs/dbraw/zinc/15/52/89/758155289.db2.gz OEWWQGODFVTRTG-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104330 758155296 /nfs/dbraw/zinc/15/52/96/758155296.db2.gz OEWWQGODFVTRTG-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596697 759807347 /nfs/dbraw/zinc/80/73/47/759807347.db2.gz HRNCWEDHIPWOED-MRXNPFEDSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596697 759807357 /nfs/dbraw/zinc/80/73/57/759807357.db2.gz HRNCWEDHIPWOED-MRXNPFEDSA-N 2 2 310.401 1.812 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085713264 760081842 /nfs/dbraw/zinc/08/18/42/760081842.db2.gz GEXQWDQRENVAKM-OAHLLOKOSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001085713264 760081849 /nfs/dbraw/zinc/08/18/49/760081849.db2.gz GEXQWDQRENVAKM-OAHLLOKOSA-N 2 2 309.373 1.047 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108208202 760135285 /nfs/dbraw/zinc/13/52/85/760135285.db2.gz YMHJRNADAODGOA-WBVHZDCISA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108208202 760135292 /nfs/dbraw/zinc/13/52/92/760135292.db2.gz YMHJRNADAODGOA-WBVHZDCISA-N 2 2 311.470 1.500 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868582 760305225 /nfs/dbraw/zinc/30/52/25/760305225.db2.gz GVFLYSBXDDOLLQ-INIZCTEOSA-N 2 2 309.373 1.145 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038339359 761023575 /nfs/dbraw/zinc/02/35/75/761023575.db2.gz GPJOHRRPOODNRI-CVEARBPZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038339359 761023582 /nfs/dbraw/zinc/02/35/82/761023582.db2.gz GPJOHRRPOODNRI-CVEARBPZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038339359 761023589 /nfs/dbraw/zinc/02/35/89/761023589.db2.gz GPJOHRRPOODNRI-CVEARBPZSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038339359 761023595 /nfs/dbraw/zinc/02/35/95/761023595.db2.gz GPJOHRRPOODNRI-CVEARBPZSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038366203 761054179 /nfs/dbraw/zinc/05/41/79/761054179.db2.gz FOXCDCHIAIGODC-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038366203 761054163 /nfs/dbraw/zinc/05/41/63/761054163.db2.gz FOXCDCHIAIGODC-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038366203 761054172 /nfs/dbraw/zinc/05/41/72/761054172.db2.gz FOXCDCHIAIGODC-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038366203 761054185 /nfs/dbraw/zinc/05/41/85/761054185.db2.gz FOXCDCHIAIGODC-IRXDYDNUSA-N 2 2 303.450 1.465 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864586 761487069 /nfs/dbraw/zinc/48/70/69/761487069.db2.gz IHOXXKFKNGXAFH-INIZCTEOSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864586 761487074 /nfs/dbraw/zinc/48/70/74/761487074.db2.gz IHOXXKFKNGXAFH-INIZCTEOSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864592 761487315 /nfs/dbraw/zinc/48/73/15/761487315.db2.gz IHOXXKFKNGXAFH-MRXNPFEDSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864592 761487316 /nfs/dbraw/zinc/48/73/16/761487316.db2.gz IHOXXKFKNGXAFH-MRXNPFEDSA-N 2 2 311.389 1.648 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001039006090 761639074 /nfs/dbraw/zinc/63/90/74/761639074.db2.gz KJOICXWINQWRNE-STQMWFEESA-N 2 2 318.446 1.262 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)s2)C1 ZINC001039006090 761639079 /nfs/dbraw/zinc/63/90/79/761639079.db2.gz KJOICXWINQWRNE-STQMWFEESA-N 2 2 318.446 1.262 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001039006090 761639082 /nfs/dbraw/zinc/63/90/82/761639082.db2.gz KJOICXWINQWRNE-STQMWFEESA-N 2 2 318.446 1.262 20 30 DDEDLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001039006090 761639086 /nfs/dbraw/zinc/63/90/86/761639086.db2.gz KJOICXWINQWRNE-STQMWFEESA-N 2 2 318.446 1.262 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041419192 763016023 /nfs/dbraw/zinc/01/60/23/763016023.db2.gz RTXWVMPXOZHFPS-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001041419192 763016028 /nfs/dbraw/zinc/01/60/28/763016028.db2.gz RTXWVMPXOZHFPS-QAPCUYQASA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711526 763237570 /nfs/dbraw/zinc/23/75/70/763237570.db2.gz GMICYHDDALHZTB-OAHLLOKOSA-N 2 2 308.813 1.629 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711526 763237577 /nfs/dbraw/zinc/23/75/77/763237577.db2.gz GMICYHDDALHZTB-OAHLLOKOSA-N 2 2 308.813 1.629 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161543 763726280 /nfs/dbraw/zinc/72/62/80/763726280.db2.gz AQKCZFPWUVCPKL-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161543 763726287 /nfs/dbraw/zinc/72/62/87/763726287.db2.gz AQKCZFPWUVCPKL-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001050541496 763732850 /nfs/dbraw/zinc/73/28/50/763732850.db2.gz GQBULZPMDSQHHH-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001050541496 763732853 /nfs/dbraw/zinc/73/28/53/763732853.db2.gz GQBULZPMDSQHHH-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001050745769 763991094 /nfs/dbraw/zinc/99/10/94/763991094.db2.gz KXWNVUGFKBZDJL-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975742 764246863 /nfs/dbraw/zinc/24/68/63/764246863.db2.gz BLAPJCFCKQPHLN-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975742 764246869 /nfs/dbraw/zinc/24/68/69/764246869.db2.gz BLAPJCFCKQPHLN-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001050997083 764400376 /nfs/dbraw/zinc/40/03/76/764400376.db2.gz AJZXNYDBFSBRPA-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001050997083 764400379 /nfs/dbraw/zinc/40/03/79/764400379.db2.gz AJZXNYDBFSBRPA-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001050997083 764400380 /nfs/dbraw/zinc/40/03/80/764400380.db2.gz AJZXNYDBFSBRPA-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001050997083 764400382 /nfs/dbraw/zinc/40/03/82/764400382.db2.gz AJZXNYDBFSBRPA-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001042963506 764555638 /nfs/dbraw/zinc/55/56/38/764555638.db2.gz RCHWIPUJORYXNH-SFHVURJKSA-N 2 2 317.477 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001042963506 764555639 /nfs/dbraw/zinc/55/56/39/764555639.db2.gz RCHWIPUJORYXNH-SFHVURJKSA-N 2 2 317.477 1.807 20 30 DDEDLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001131639650 768232627 /nfs/dbraw/zinc/23/26/27/768232627.db2.gz MFJSJEUWHGYJIK-UHFFFAOYSA-N 2 2 311.389 1.130 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001043616009 765006384 /nfs/dbraw/zinc/00/63/84/765006384.db2.gz DKTOMIVNMHKVQO-GOSISDBHSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001043616009 765006386 /nfs/dbraw/zinc/00/63/86/765006386.db2.gz DKTOMIVNMHKVQO-GOSISDBHSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCF)CC1 ZINC001112977118 765078435 /nfs/dbraw/zinc/07/84/35/765078435.db2.gz NOGSOOCMBVRPEO-INIZCTEOSA-N 2 2 309.429 1.368 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCF)CC1 ZINC001112977118 765078442 /nfs/dbraw/zinc/07/84/42/765078442.db2.gz NOGSOOCMBVRPEO-INIZCTEOSA-N 2 2 309.429 1.368 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001113040553 765177645 /nfs/dbraw/zinc/17/76/45/765177645.db2.gz ONYMBJIQXUSCKI-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045501146 766358684 /nfs/dbraw/zinc/35/86/84/766358684.db2.gz QRBIJHPEKBLJJD-UHFFFAOYSA-N 2 2 310.401 1.942 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553630 766396974 /nfs/dbraw/zinc/39/69/74/766396974.db2.gz ZDSPGVKBSLJSFA-CQSZACIVSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982296 766758821 /nfs/dbraw/zinc/75/88/21/766758821.db2.gz SMPJIECULPDGHF-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045982296 766758825 /nfs/dbraw/zinc/75/88/25/766758825.db2.gz SMPJIECULPDGHF-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434240 767559075 /nfs/dbraw/zinc/55/90/75/767559075.db2.gz KQIJIGKPYGDRAR-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434240 767559079 /nfs/dbraw/zinc/55/90/79/767559079.db2.gz KQIJIGKPYGDRAR-YOEHRIQHSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434022 767559194 /nfs/dbraw/zinc/55/91/94/767559194.db2.gz JANTYWOPDYBZJS-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434022 767559201 /nfs/dbraw/zinc/55/92/01/767559201.db2.gz JANTYWOPDYBZJS-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782484 769189370 /nfs/dbraw/zinc/18/93/70/769189370.db2.gz NMCKXIYIHPYMLI-LSDHHAIUSA-N 2 2 304.438 1.993 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C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001270442306 842578708 /nfs/dbraw/zinc/57/87/08/842578708.db2.gz KWTWEAWEPNRZSW-RHSMWYFYSA-N 2 2 316.449 1.876 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001409931516 846821887 /nfs/dbraw/zinc/82/18/87/846821887.db2.gz TYXNKGMYWAOOHU-OCCSQVGLSA-N 2 2 319.852 1.855 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279016 848240796 /nfs/dbraw/zinc/24/07/96/848240796.db2.gz NVWYYYWDZKLECV-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279016 848240800 /nfs/dbraw/zinc/24/08/00/848240800.db2.gz NVWYYYWDZKLECV-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279016 848240814 /nfs/dbraw/zinc/24/08/14/848240814.db2.gz NVWYYYWDZKLECV-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279016 848240823 /nfs/dbraw/zinc/24/08/23/848240823.db2.gz NVWYYYWDZKLECV-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391435 848425896 /nfs/dbraw/zinc/42/58/96/848425896.db2.gz MDYAZRRTSLKBMR-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391435 848425905 /nfs/dbraw/zinc/42/59/05/848425905.db2.gz MDYAZRRTSLKBMR-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034401272 848467607 /nfs/dbraw/zinc/46/76/07/848467607.db2.gz FWRHIAQQQBFGJV-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034401272 848467616 /nfs/dbraw/zinc/46/76/16/848467616.db2.gz FWRHIAQQQBFGJV-ARFHVFGLSA-N 2 2 314.433 1.518 20 30 DDEDLP C#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275976086 854061223 /nfs/dbraw/zinc/06/12/23/854061223.db2.gz ZEKKNMYCRZBSGO-SFHVURJKSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[NH+]1CCC[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275976086 854061231 /nfs/dbraw/zinc/06/12/31/854061231.db2.gz ZEKKNMYCRZBSGO-SFHVURJKSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[N@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275976086 854061239 /nfs/dbraw/zinc/06/12/39/854061239.db2.gz ZEKKNMYCRZBSGO-SFHVURJKSA-N 2 2 305.466 1.666 20 30 DDEDLP C#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275976086 854061246 /nfs/dbraw/zinc/06/12/46/854061246.db2.gz ZEKKNMYCRZBSGO-SFHVURJKSA-N 2 2 305.466 1.666 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072849223 857796645 /nfs/dbraw/zinc/79/66/45/857796645.db2.gz XZPZQCSWTRXGCZ-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072849223 857796651 /nfs/dbraw/zinc/79/66/51/857796651.db2.gz XZPZQCSWTRXGCZ-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)CC1 ZINC001139874644 860505692 /nfs/dbraw/zinc/50/56/92/860505692.db2.gz GSARKVNXOMDPFQ-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153272 863615185 /nfs/dbraw/zinc/61/51/85/863615185.db2.gz GNWPAUUXLSHZHI-GDBMZVCRSA-N 2 2 302.422 1.144 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001330610318 864486231 /nfs/dbraw/zinc/48/62/31/864486231.db2.gz NVOMCHFQFIAHQJ-KBUPBQIOSA-N 2 2 302.422 1.964 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001330610318 864486240 /nfs/dbraw/zinc/48/62/40/864486240.db2.gz NVOMCHFQFIAHQJ-KBUPBQIOSA-N 2 2 302.422 1.964 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001331426945 865078701 /nfs/dbraw/zinc/07/87/01/865078701.db2.gz QZTMWEDPUDVJBD-SFHVURJKSA-N 2 2 322.412 1.744 20 30 DDEDLP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001319851742 866343519 /nfs/dbraw/zinc/34/35/19/866343519.db2.gz CKZACECUVZQVRR-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001320009229 866428173 /nfs/dbraw/zinc/42/81/73/866428173.db2.gz GRAOWTMBIADQQC-MRXNPFEDSA-N 2 2 304.438 1.884 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001320009229 866428175 /nfs/dbraw/zinc/42/81/75/866428175.db2.gz GRAOWTMBIADQQC-MRXNPFEDSA-N 2 2 304.438 1.884 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333110119 866431226 /nfs/dbraw/zinc/43/12/26/866431226.db2.gz IXBGFVUDMPBCQL-OAHLLOKOSA-N 2 2 304.438 1.709 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320112611 866482430 /nfs/dbraw/zinc/48/24/30/866482430.db2.gz DXZZXEYUOPNPSH-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001320112611 866482437 /nfs/dbraw/zinc/48/24/37/866482437.db2.gz DXZZXEYUOPNPSH-CVEARBPZSA-N 2 2 300.406 1.219 20 30 DDEDLP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320780800 867023128 /nfs/dbraw/zinc/02/31/28/867023128.db2.gz ZCHGJIIDZJINKK-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325464555 868054799 /nfs/dbraw/zinc/05/47/99/868054799.db2.gz AUVRSJZNWORGKM-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)nc(C)c1C#N ZINC001163126559 868131171 /nfs/dbraw/zinc/13/11/71/868131171.db2.gz SOVGXEKMFABFFQ-UHFFFAOYSA-N 2 2 309.805 1.588 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001325594674 868164720 /nfs/dbraw/zinc/16/47/20/868164720.db2.gz FYBJZKNBAVECLT-GJZGRUSLSA-N 2 2 302.422 1.060 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819170 869721496 /nfs/dbraw/zinc/72/14/96/869721496.db2.gz MDECBZRGAUBYCH-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317605548 871186375 /nfs/dbraw/zinc/18/63/75/871186375.db2.gz IAUAUMWNVAMKNW-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317685918 871407918 /nfs/dbraw/zinc/40/79/18/871407918.db2.gz MKBICWAXQVAUQR-HUUCEWRRSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317685918 871407923 /nfs/dbraw/zinc/40/79/23/871407923.db2.gz MKBICWAXQVAUQR-HUUCEWRRSA-N 2 2 316.449 1.828 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761358 871477066 /nfs/dbraw/zinc/47/70/66/871477066.db2.gz KNIPMRHCXVDEIB-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761358 871477068 /nfs/dbraw/zinc/47/70/68/871477068.db2.gz KNIPMRHCXVDEIB-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341382874 871631503 /nfs/dbraw/zinc/63/15/03/871631503.db2.gz KLCPQMBFGVUAOW-IRXDYDNUSA-N 3 2 322.497 1.297 20 30 DDEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341382874 871631521 /nfs/dbraw/zinc/63/15/21/871631521.db2.gz KLCPQMBFGVUAOW-IRXDYDNUSA-N 3 2 322.497 1.297 20 30 DDEDLP CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)c1C#N ZINC001205687743 871699218 /nfs/dbraw/zinc/69/92/18/871699218.db2.gz AMGBWOIFCZRAEX-KRWDZBQOSA-N 2 2 320.412 1.439 20 30 DDEDLP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)c1C#N ZINC001205687743 871699222 /nfs/dbraw/zinc/69/92/22/871699222.db2.gz AMGBWOIFCZRAEX-KRWDZBQOSA-N 2 2 320.412 1.439 20 30 DDEDLP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001319489617 872657175 /nfs/dbraw/zinc/65/71/75/872657175.db2.gz FLRCPNGURFJCGC-AWEZNQCLSA-N 2 2 316.405 1.587 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001319549811 872686920 /nfs/dbraw/zinc/68/69/20/872686920.db2.gz QGTKTWKKCGUZPO-HNNXBMFYSA-N 2 2 311.470 1.500 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263644 873155470 /nfs/dbraw/zinc/15/54/70/873155470.db2.gz YSXRZMUZSSLGPJ-KWCYVHTRSA-N 2 2 319.852 1.855 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263644 873155476 /nfs/dbraw/zinc/15/54/76/873155476.db2.gz YSXRZMUZSSLGPJ-KWCYVHTRSA-N 2 2 319.852 1.855 20 30 DDEDLP C=CCn1nnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001345107903 873259441 /nfs/dbraw/zinc/25/94/41/873259441.db2.gz GGEFERBHLDZUED-BFHYXJOUSA-N 2 2 322.482 1.615 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001345107903 873259450 /nfs/dbraw/zinc/25/94/50/873259450.db2.gz GGEFERBHLDZUED-BFHYXJOUSA-N 2 2 322.482 1.615 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451171 874155076 /nfs/dbraw/zinc/15/50/76/874155076.db2.gz SIDROZIQCBYIPT-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451171 874155081 /nfs/dbraw/zinc/15/50/81/874155081.db2.gz SIDROZIQCBYIPT-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866105 875149533 /nfs/dbraw/zinc/14/95/33/875149533.db2.gz NZSZAYZZDLBRFK-CVEARBPZSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555197 875978603 /nfs/dbraw/zinc/97/86/03/875978603.db2.gz BFDSXHXPMXJTLP-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555197 875978611 /nfs/dbraw/zinc/97/86/11/875978611.db2.gz BFDSXHXPMXJTLP-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555197 875978623 /nfs/dbraw/zinc/97/86/23/875978623.db2.gz BFDSXHXPMXJTLP-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555197 875978634 /nfs/dbraw/zinc/97/86/34/875978634.db2.gz BFDSXHXPMXJTLP-NUEKZKHPSA-N 2 2 320.437 1.370 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216366383 876927142 /nfs/dbraw/zinc/92/71/42/876927142.db2.gz LMPJPFKKMCLVJG-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228836387 883692946 /nfs/dbraw/zinc/69/29/46/883692946.db2.gz RANZZDSFPLGWFS-BZUAXINKSA-N 2 2 302.422 1.875 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230384313 884460525 /nfs/dbraw/zinc/46/05/25/884460525.db2.gz FHRJUDPRRHGGDG-QGZVFWFLSA-N 2 2 316.449 1.841 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001277456936 884511868 /nfs/dbraw/zinc/51/18/68/884511868.db2.gz KCRVSVIQUFMYIQ-HDICACEKSA-N 2 2 323.444 1.860 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001277456936 884511875 /nfs/dbraw/zinc/51/18/75/884511875.db2.gz KCRVSVIQUFMYIQ-HDICACEKSA-N 2 2 323.444 1.860 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001231619844 885763377 /nfs/dbraw/zinc/76/33/77/885763377.db2.gz KDAGGHVNDAXGCP-UHFFFAOYSA-N 2 2 302.422 1.246 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001231619844 885763392 /nfs/dbraw/zinc/76/33/92/885763392.db2.gz KDAGGHVNDAXGCP-UHFFFAOYSA-N 2 2 302.422 1.246 20 30 DDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146895 892441513 /nfs/dbraw/zinc/44/15/13/892441513.db2.gz OMWFCFKTSULCIH-YJBOKZPZSA-N 3 2 312.461 1.953 20 30 DDEDLP FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159380 892453438 /nfs/dbraw/zinc/45/34/38/892453438.db2.gz PAKXSOKUCPOYIY-SSDOTTSWSA-N 2 2 323.256 1.503 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(C2CC2)CC1 ZINC001246304988 892529701 /nfs/dbraw/zinc/52/97/01/892529701.db2.gz GABYDRDBWWGOLK-INIZCTEOSA-N 2 2 309.454 1.430 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001366490988 893725430 /nfs/dbraw/zinc/72/54/30/893725430.db2.gz WLNWPZKHPGSOJD-NSHDSACASA-N 2 2 317.418 1.570 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001278651924 895038460 /nfs/dbraw/zinc/03/84/60/895038460.db2.gz VWCGACZSNDOUPE-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367040585 895652077 /nfs/dbraw/zinc/65/20/77/895652077.db2.gz XKEOUCPLARGEDI-SJORKVTESA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367040585 895652088 /nfs/dbraw/zinc/65/20/88/895652088.db2.gz XKEOUCPLARGEDI-SJORKVTESA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864771 896889099 /nfs/dbraw/zinc/88/90/99/896889099.db2.gz JLSWHEIWWPZNFH-INIZCTEOSA-N 2 2 319.449 1.948 20 30 DDEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278864771 896889111 /nfs/dbraw/zinc/88/91/11/896889111.db2.gz JLSWHEIWWPZNFH-INIZCTEOSA-N 2 2 319.449 1.948 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264751738 901333814 /nfs/dbraw/zinc/33/38/14/901333814.db2.gz NTEXDHHXBYFWOP-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001264751738 901333821 /nfs/dbraw/zinc/33/38/21/901333821.db2.gz NTEXDHHXBYFWOP-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264751738 901333827 /nfs/dbraw/zinc/33/38/27/901333827.db2.gz NTEXDHHXBYFWOP-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001264751738 901333836 /nfs/dbraw/zinc/33/38/36/901333836.db2.gz NTEXDHHXBYFWOP-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001265735964 902352963 /nfs/dbraw/zinc/35/29/63/902352963.db2.gz BHZRMJFCOUPTTD-FHERZECASA-N 2 2 314.433 1.486 20 30 DDEDLP C=C(Br)C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001265978099 902694087 /nfs/dbraw/zinc/69/40/87/902694087.db2.gz AMAVKBPCXMCHQN-UHFFFAOYSA-N 2 2 320.275 1.673 20 30 DDEDLP C=C(Br)C[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC001265978099 902694096 /nfs/dbraw/zinc/69/40/96/902694096.db2.gz AMAVKBPCXMCHQN-UHFFFAOYSA-N 2 2 320.275 1.673 20 30 DDEDLP C=C(Br)C[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001265978099 902694106 /nfs/dbraw/zinc/69/41/06/902694106.db2.gz AMAVKBPCXMCHQN-UHFFFAOYSA-N 2 2 320.275 1.673 20 30 DDEDLP C=C(Br)C[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001265978099 902694113 /nfs/dbraw/zinc/69/41/13/902694113.db2.gz AMAVKBPCXMCHQN-UHFFFAOYSA-N 2 2 320.275 1.673 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001392161691 903422899 /nfs/dbraw/zinc/42/28/99/903422899.db2.gz FLCOOCZCJRKHRC-ZDUSSCGKSA-N 2 2 312.845 1.836 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001281552754 905015999 /nfs/dbraw/zinc/01/59/99/905015999.db2.gz KZWSEVVCYMGPPW-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001281552754 905016016 /nfs/dbraw/zinc/01/60/16/905016016.db2.gz KZWSEVVCYMGPPW-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001282739017 906005355 /nfs/dbraw/zinc/00/53/55/906005355.db2.gz RXMRZJCBHUWSAI-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]CCC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001283434748 907351149 /nfs/dbraw/zinc/35/11/49/907351149.db2.gz SHEXVXFXNDUAOC-KRWDZBQOSA-N 2 2 310.401 1.744 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CC2)cc1 ZINC001375427484 915898410 /nfs/dbraw/zinc/89/84/10/915898410.db2.gz LKJRBUJFSPNIHJ-UHFFFAOYSA-N 2 2 323.400 1.653 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CC2)cc1 ZINC001375427484 915898431 /nfs/dbraw/zinc/89/84/31/915898431.db2.gz LKJRBUJFSPNIHJ-UHFFFAOYSA-N 2 2 323.400 1.653 20 30 DDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328790321 539299018 /nfs/dbraw/zinc/29/90/18/539299018.db2.gz QFOZRVXFSXJMEH-CQSZACIVSA-N 2 2 319.453 1.955 20 30 DDEDLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328790321 539299019 /nfs/dbraw/zinc/29/90/19/539299019.db2.gz QFOZRVXFSXJMEH-CQSZACIVSA-N 2 2 319.453 1.955 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000089926557 353782820 /nfs/dbraw/zinc/78/28/20/353782820.db2.gz QPWHGJFAIUARGW-MRXNPFEDSA-N 2 2 311.389 1.147 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000594718284 356295415 /nfs/dbraw/zinc/29/54/15/356295415.db2.gz NCOMACCDKZWFTP-JKSUJKDBSA-N 2 2 317.433 1.760 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000594718284 356295421 /nfs/dbraw/zinc/29/54/21/356295421.db2.gz NCOMACCDKZWFTP-JKSUJKDBSA-N 2 2 317.433 1.760 20 30 DDEDLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000596656688 356944198 /nfs/dbraw/zinc/94/41/98/356944198.db2.gz JYACOXLQQDKIFJ-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601803690 358699935 /nfs/dbraw/zinc/69/99/35/358699935.db2.gz HJGACERANRLZAT-INIZCTEOSA-N 2 2 301.394 1.712 20 30 DDEDLP N#Cc1c(F)cccc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000602003091 358772767 /nfs/dbraw/zinc/77/27/67/358772767.db2.gz QZQNCXJHTBFOFJ-CQSZACIVSA-N 2 2 318.396 1.374 20 30 DDEDLP N#Cc1c(F)cccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000602003091 358772771 /nfs/dbraw/zinc/77/27/71/358772771.db2.gz QZQNCXJHTBFOFJ-CQSZACIVSA-N 2 2 318.396 1.374 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000602675922 359119806 /nfs/dbraw/zinc/11/98/06/359119806.db2.gz XBPQIFFTKZHZAX-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000602675922 359119810 /nfs/dbraw/zinc/11/98/10/359119810.db2.gz XBPQIFFTKZHZAX-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329801699 223031739 /nfs/dbraw/zinc/03/17/39/223031739.db2.gz JTZYFRXKUIZLGP-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329801699 223031743 /nfs/dbraw/zinc/03/17/43/223031743.db2.gz JTZYFRXKUIZLGP-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329801699 223031747 /nfs/dbraw/zinc/03/17/47/223031747.db2.gz JTZYFRXKUIZLGP-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329801699 223031750 /nfs/dbraw/zinc/03/17/50/223031750.db2.gz JTZYFRXKUIZLGP-HIFRSBDPSA-N 2 2 324.469 1.084 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625322575 366849237 /nfs/dbraw/zinc/84/92/37/366849237.db2.gz HNNQBPHOSNRVAW-HNNXBMFYSA-N 2 2 316.449 1.911 20 30 DDEDLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C ZINC000566496119 304163584 /nfs/dbraw/zinc/16/35/84/304163584.db2.gz BAUVWBXNKISJMO-KRWDZBQOSA-N 2 2 323.400 1.491 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000266117310 205110436 /nfs/dbraw/zinc/11/04/36/205110436.db2.gz IFCUHKKRGSSRPX-ZDUSSCGKSA-N 2 2 300.406 1.959 20 30 DDEDLP Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C#N)c[nH+]1 ZINC000567583152 304227436 /nfs/dbraw/zinc/22/74/36/304227436.db2.gz WZIKLISQQULWPZ-GOSISDBHSA-N 2 2 322.412 1.515 20 30 DDEDLP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C#N)c[nH+]1 ZINC000567583152 304227437 /nfs/dbraw/zinc/22/74/37/304227437.db2.gz WZIKLISQQULWPZ-GOSISDBHSA-N 2 2 322.412 1.515 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000567709218 304236035 /nfs/dbraw/zinc/23/60/35/304236035.db2.gz MVLNEHRTDKQPTJ-UONOGXRCSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000567709218 304236036 /nfs/dbraw/zinc/23/60/36/304236036.db2.gz MVLNEHRTDKQPTJ-UONOGXRCSA-N 2 2 312.373 1.168 20 30 DDEDLP C[NH+]=C(NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C)NC1CC1 ZINC000171408613 407684044 /nfs/dbraw/zinc/68/40/44/407684044.db2.gz MWYDGNYHDLURPW-CQSZACIVSA-N 2 2 320.437 1.634 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156518715 408261608 /nfs/dbraw/zinc/26/16/08/408261608.db2.gz KEJHWUIERQGXDY-ZOBUZTSGSA-N 2 2 317.437 1.820 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156518715 408261613 /nfs/dbraw/zinc/26/16/13/408261613.db2.gz KEJHWUIERQGXDY-ZOBUZTSGSA-N 2 2 317.437 1.820 20 30 DDEDLP CN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1(C#N)CCCCC1 ZINC000193629283 408735090 /nfs/dbraw/zinc/73/50/90/408735090.db2.gz HYPMQXZZFRGOIU-GASCZTMLSA-N 2 2 304.438 1.165 20 30 DDEDLP CN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1(C#N)CCCCC1 ZINC000193629283 408735095 /nfs/dbraw/zinc/73/50/95/408735095.db2.gz HYPMQXZZFRGOIU-GASCZTMLSA-N 2 2 304.438 1.165 20 30 DDEDLP CN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1(C#N)CCCCC1 ZINC000193629283 408735097 /nfs/dbraw/zinc/73/50/97/408735097.db2.gz HYPMQXZZFRGOIU-GASCZTMLSA-N 2 2 304.438 1.165 20 30 DDEDLP CN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1(C#N)CCCCC1 ZINC000193629283 408735104 /nfs/dbraw/zinc/73/51/04/408735104.db2.gz HYPMQXZZFRGOIU-GASCZTMLSA-N 2 2 304.438 1.165 20 30 DDEDLP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000281321938 408880898 /nfs/dbraw/zinc/88/08/98/408880898.db2.gz RIACRTQWJPSJQI-HNNXBMFYSA-N 2 2 311.389 1.486 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000281321938 408880900 /nfs/dbraw/zinc/88/09/00/408880900.db2.gz RIACRTQWJPSJQI-HNNXBMFYSA-N 2 2 311.389 1.486 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000342158629 409563550 /nfs/dbraw/zinc/56/35/50/409563550.db2.gz HNXIUXVKMBQNFZ-MULDDASSSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000342158629 409563561 /nfs/dbraw/zinc/56/35/61/409563561.db2.gz HNXIUXVKMBQNFZ-MULDDASSSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000342158629 409563567 /nfs/dbraw/zinc/56/35/67/409563567.db2.gz HNXIUXVKMBQNFZ-MULDDASSSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000342158629 409563572 /nfs/dbraw/zinc/56/35/72/409563572.db2.gz HNXIUXVKMBQNFZ-MULDDASSSA-N 2 2 308.466 1.985 20 30 DDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425989 410179511 /nfs/dbraw/zinc/17/95/11/410179511.db2.gz IOWZJCPDFSTONR-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425989 410179513 /nfs/dbraw/zinc/17/95/13/410179513.db2.gz IOWZJCPDFSTONR-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425989 410179520 /nfs/dbraw/zinc/17/95/20/410179520.db2.gz IOWZJCPDFSTONR-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)C1 ZINC000339425989 410179526 /nfs/dbraw/zinc/17/95/26/410179526.db2.gz IOWZJCPDFSTONR-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP Cn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C#N ZINC000358378698 410457739 /nfs/dbraw/zinc/45/77/39/410457739.db2.gz FDIPCARNYRQZEF-INIZCTEOSA-N 2 2 324.432 2.044 20 30 DDEDLP Cn1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C#N ZINC000358378699 410458783 /nfs/dbraw/zinc/45/87/83/410458783.db2.gz FDIPCARNYRQZEF-MRXNPFEDSA-N 2 2 324.432 2.044 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330188823 410578725 /nfs/dbraw/zinc/57/87/25/410578725.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330188823 410578730 /nfs/dbraw/zinc/57/87/30/410578730.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188823 410578736 /nfs/dbraw/zinc/57/87/36/410578736.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP [O-]C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188823 410578742 /nfs/dbraw/zinc/57/87/42/410578742.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330188823 410578749 /nfs/dbraw/zinc/57/87/49/410578749.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330188823 410578752 /nfs/dbraw/zinc/57/87/52/410578752.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 2 303.410 1.328 20 30 DDEDLP Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C#N)c[nH+]1 ZINC000333563393 410583117 /nfs/dbraw/zinc/58/31/17/410583117.db2.gz LHBOXVSIXSJKJM-RDJZCZTQSA-N 2 2 300.406 1.984 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638525494 422961797 /nfs/dbraw/zinc/96/17/97/422961797.db2.gz YCTLNSCJOMWHDK-UHFFFAOYSA-N 2 2 309.435 1.074 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000192222182 222122181 /nfs/dbraw/zinc/12/21/81/222122181.db2.gz OFFKWQIRKPNBMI-UHFFFAOYSA-N 2 2 301.390 1.022 20 30 DDEDLP C#CC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000192222182 222122183 /nfs/dbraw/zinc/12/21/83/222122183.db2.gz OFFKWQIRKPNBMI-UHFFFAOYSA-N 2 2 301.390 1.022 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261977519 222266431 /nfs/dbraw/zinc/26/64/31/222266431.db2.gz GOSVQEIGQQSNCB-GFCCVEGCSA-N 2 2 308.451 1.142 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000261977519 222266435 /nfs/dbraw/zinc/26/64/35/222266435.db2.gz GOSVQEIGQQSNCB-GFCCVEGCSA-N 2 2 308.451 1.142 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246152884 222220141 /nfs/dbraw/zinc/22/01/41/222220141.db2.gz GEEONGVVKDAHKM-RDJZCZTQSA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246152884 222220145 /nfs/dbraw/zinc/22/01/45/222220145.db2.gz GEEONGVVKDAHKM-RDJZCZTQSA-N 2 2 306.454 1.459 20 30 DDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421839 418599606 /nfs/dbraw/zinc/59/96/06/418599606.db2.gz BXCLQKNIBKWEEG-JSGCOSHPSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421839 418599609 /nfs/dbraw/zinc/59/96/09/418599609.db2.gz BXCLQKNIBKWEEG-JSGCOSHPSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421839 418599612 /nfs/dbraw/zinc/59/96/12/418599612.db2.gz BXCLQKNIBKWEEG-JSGCOSHPSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421839 418599614 /nfs/dbraw/zinc/59/96/14/418599614.db2.gz BXCLQKNIBKWEEG-JSGCOSHPSA-N 2 2 318.446 1.974 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424183278 228242684 /nfs/dbraw/zinc/24/26/84/228242684.db2.gz VEFMEQCSHPNNRH-KGLIPLIRSA-N 2 2 303.410 1.222 20 30 DDEDLP C=CCc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1O ZINC000564570908 421592233 /nfs/dbraw/zinc/59/22/33/421592233.db2.gz OWNQJBHYFBDNTQ-OAHLLOKOSA-N 2 2 305.422 1.204 20 30 DDEDLP C=CCc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1O ZINC000564570908 421592235 /nfs/dbraw/zinc/59/22/35/421592235.db2.gz OWNQJBHYFBDNTQ-OAHLLOKOSA-N 2 2 305.422 1.204 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559259644 421831957 /nfs/dbraw/zinc/83/19/57/421831957.db2.gz UHMHFNHOFXTCHZ-UHFFFAOYSA-N 2 2 310.405 1.671 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530917179 267278321 /nfs/dbraw/zinc/27/83/21/267278321.db2.gz VWTJDBRJOBASEB-UHFFFAOYSA-N 2 2 314.433 1.243 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000573317270 308236926 /nfs/dbraw/zinc/23/69/26/308236926.db2.gz DLDDQMBSWZGLQH-FRRDWIJNSA-N 2 2 309.435 1.179 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000573317270 308236928 /nfs/dbraw/zinc/23/69/28/308236928.db2.gz DLDDQMBSWZGLQH-FRRDWIJNSA-N 2 2 309.435 1.179 20 30 DDEDLP CN(C)C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000289428106 334165200 /nfs/dbraw/zinc/16/52/00/334165200.db2.gz RNPLYINYMRYWFI-UHFFFAOYSA-N 2 2 318.421 1.398 20 30 DDEDLP C=C(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656154162 483980486 /nfs/dbraw/zinc/98/04/86/483980486.db2.gz PKKFRURSYVZWEH-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656154162 483980495 /nfs/dbraw/zinc/98/04/95/483980495.db2.gz PKKFRURSYVZWEH-INIZCTEOSA-N 2 2 308.470 1.763 20 30 DDEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000329882793 534240310 /nfs/dbraw/zinc/24/03/10/534240310.db2.gz QJHZIRSYEIJIDF-CQSZACIVSA-N 2 2 314.389 1.816 20 30 DDEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000329882793 534240313 /nfs/dbraw/zinc/24/03/13/534240313.db2.gz QJHZIRSYEIJIDF-CQSZACIVSA-N 2 2 314.389 1.816 20 30 DDEDLP C=C(C)[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)OCC ZINC000339377802 526812655 /nfs/dbraw/zinc/81/26/55/526812655.db2.gz MTVYFRFEVLPMKF-INIZCTEOSA-N 2 2 311.470 1.500 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491736374 526815748 /nfs/dbraw/zinc/81/57/48/526815748.db2.gz RAMJEOGAMYYSRT-HNNXBMFYSA-N 2 2 317.437 1.323 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491736374 526815752 /nfs/dbraw/zinc/81/57/52/526815752.db2.gz RAMJEOGAMYYSRT-HNNXBMFYSA-N 2 2 317.437 1.323 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000491125325 526947230 /nfs/dbraw/zinc/94/72/30/526947230.db2.gz DFGGHGVDCGVKEF-UHFFFAOYSA-N 2 2 313.401 1.146 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000491125325 526947237 /nfs/dbraw/zinc/94/72/37/526947237.db2.gz DFGGHGVDCGVKEF-UHFFFAOYSA-N 2 2 313.401 1.146 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000490865799 526949600 /nfs/dbraw/zinc/94/96/00/526949600.db2.gz HQAIDOMIAPISJC-SFHVURJKSA-N 2 2 311.429 1.081 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000490865799 526949606 /nfs/dbraw/zinc/94/96/06/526949606.db2.gz HQAIDOMIAPISJC-SFHVURJKSA-N 2 2 311.429 1.081 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2SCC)CC1 ZINC000491166090 526950817 /nfs/dbraw/zinc/95/08/17/526950817.db2.gz PMPZGOYVLGZWKC-HUUCEWRRSA-N 2 2 309.479 1.028 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346485196 527930362 /nfs/dbraw/zinc/93/03/62/527930362.db2.gz FVFUWNVOQGCVFO-WBVHZDCISA-N 2 2 316.405 1.589 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346485196 527930366 /nfs/dbraw/zinc/93/03/66/527930366.db2.gz FVFUWNVOQGCVFO-WBVHZDCISA-N 2 2 316.405 1.589 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347543646 528624235 /nfs/dbraw/zinc/62/42/35/528624235.db2.gz YMEXZWKJNOLYQI-RDJZCZTQSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347543646 528624240 /nfs/dbraw/zinc/62/42/40/528624240.db2.gz YMEXZWKJNOLYQI-RDJZCZTQSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347543646 528624245 /nfs/dbraw/zinc/62/42/45/528624245.db2.gz YMEXZWKJNOLYQI-RDJZCZTQSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347543646 528624251 /nfs/dbraw/zinc/62/42/51/528624251.db2.gz YMEXZWKJNOLYQI-RDJZCZTQSA-N 2 2 320.481 1.658 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980276536 696726409 /nfs/dbraw/zinc/72/64/09/696726409.db2.gz XBPUNXFZSMIYGL-JYJNAYRXSA-N 2 2 300.406 1.123 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980276536 696726411 /nfs/dbraw/zinc/72/64/11/696726411.db2.gz XBPUNXFZSMIYGL-JYJNAYRXSA-N 2 2 300.406 1.123 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCC)CC1(C)C ZINC000974678690 695710405 /nfs/dbraw/zinc/71/04/05/695710405.db2.gz AASIXALABKYRFI-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCC)CC1(C)C ZINC000974678690 695710407 /nfs/dbraw/zinc/71/04/07/695710407.db2.gz AASIXALABKYRFI-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC)CC1(C)C ZINC000974678690 695710408 /nfs/dbraw/zinc/71/04/08/695710408.db2.gz AASIXALABKYRFI-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC)CC1(C)C ZINC000974678690 695710411 /nfs/dbraw/zinc/71/04/11/695710411.db2.gz AASIXALABKYRFI-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739570 695723272 /nfs/dbraw/zinc/72/32/72/695723272.db2.gz DVFHNXPCOCVZLF-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739570 695723273 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20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266472659 836314056 /nfs/dbraw/zinc/31/40/56/836314056.db2.gz OMYUOEURPZGNPG-OAHLLOKOSA-N 2 2 316.449 1.881 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266472659 836314068 /nfs/dbraw/zinc/31/40/68/836314068.db2.gz OMYUOEURPZGNPG-OAHLLOKOSA-N 2 2 316.449 1.881 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266897144 837021972 /nfs/dbraw/zinc/02/19/72/837021972.db2.gz LYFLVYIEOXRKAF-HIFRSBDPSA-N 2 2 302.422 1.501 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266897144 837021982 /nfs/dbraw/zinc/02/19/82/837021982.db2.gz LYFLVYIEOXRKAF-HIFRSBDPSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267013066 837189519 /nfs/dbraw/zinc/18/95/19/837189519.db2.gz RRRDUYATJSENGU-AWEZNQCLSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267020882 837206078 /nfs/dbraw/zinc/20/60/78/837206078.db2.gz ONVAHDHRNMBANK-CABCVRRESA-N 2 2 306.410 1.227 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267658647 838597163 /nfs/dbraw/zinc/59/71/63/838597163.db2.gz QNXPVQKUQVNIDM-HOTGVXAUSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267658647 838597167 /nfs/dbraw/zinc/59/71/67/838597167.db2.gz QNXPVQKUQVNIDM-HOTGVXAUSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267790211 838980441 /nfs/dbraw/zinc/98/04/41/838980441.db2.gz NZZVQFGGRWTLBK-OAHLLOKOSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267790211 838980448 /nfs/dbraw/zinc/98/04/48/838980448.db2.gz NZZVQFGGRWTLBK-OAHLLOKOSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001268047242 839593577 /nfs/dbraw/zinc/59/35/77/839593577.db2.gz ZZEGKXOXKUZYDL-CQSZACIVSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268108582 839698154 /nfs/dbraw/zinc/69/81/54/839698154.db2.gz TWCQBKPWWFXYER-HUUCEWRRSA-N 2 2 302.422 1.199 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001268617977 840586292 /nfs/dbraw/zinc/58/62/92/840586292.db2.gz LNDVXUWSAFAULK-WAYWQWQTSA-N 2 2 322.412 1.574 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001269250011 841422215 /nfs/dbraw/zinc/42/22/15/841422215.db2.gz YOSHTAGEXJQDOG-HOTGVXAUSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001269250011 841422223 /nfs/dbraw/zinc/42/22/23/841422223.db2.gz YOSHTAGEXJQDOG-HOTGVXAUSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC=C)CC1 ZINC001270359620 842513308 /nfs/dbraw/zinc/51/33/08/842513308.db2.gz YKPHCDMBVJVOAU-UHFFFAOYSA-N 2 2 314.433 1.465 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152186577 863206587 /nfs/dbraw/zinc/20/65/87/863206587.db2.gz QKQOTKFRWVZZCL-UHFFFAOYSA-N 2 2 313.854 1.565 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152186577 863206601 /nfs/dbraw/zinc/20/66/01/863206601.db2.gz QKQOTKFRWVZZCL-UHFFFAOYSA-N 2 2 313.854 1.565 20 30 DDEDLP C=CCC[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001270918856 843047399 /nfs/dbraw/zinc/04/73/99/843047399.db2.gz FBJXFOFDNVFMKB-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001326669607 861529211 /nfs/dbraw/zinc/52/92/11/861529211.db2.gz BPFGSSWULZSOQU-KRWDZBQOSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001326669607 861529222 /nfs/dbraw/zinc/52/92/22/861529222.db2.gz BPFGSSWULZSOQU-KRWDZBQOSA-N 2 2 321.465 1.093 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278037 848237682 /nfs/dbraw/zinc/23/76/82/848237682.db2.gz GMKAIRPGMLOMKV-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278037 848237689 /nfs/dbraw/zinc/23/76/89/848237689.db2.gz GMKAIRPGMLOMKV-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273457372 850843093 /nfs/dbraw/zinc/84/30/93/850843093.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001273457372 850843098 /nfs/dbraw/zinc/84/30/98/850843098.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273457372 850843103 /nfs/dbraw/zinc/84/31/03/850843103.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001273457372 850843110 /nfs/dbraw/zinc/84/31/10/850843110.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 2 302.422 1.582 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380182 862209455 /nfs/dbraw/zinc/20/94/55/862209455.db2.gz OUKBZJVAIKSEKJ-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150380182 862209472 /nfs/dbraw/zinc/20/94/72/862209472.db2.gz OUKBZJVAIKSEKJ-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711793 851255732 /nfs/dbraw/zinc/25/57/32/851255732.db2.gz IYFRGNONKVZCHM-QGZVFWFLSA-N 2 2 307.438 1.355 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711793 851255736 /nfs/dbraw/zinc/25/57/36/851255736.db2.gz IYFRGNONKVZCHM-QGZVFWFLSA-N 2 2 307.438 1.355 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001274447754 852280299 /nfs/dbraw/zinc/28/02/99/852280299.db2.gz YHUWUCPTNXRWOC-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001274447754 852280309 /nfs/dbraw/zinc/28/03/09/852280309.db2.gz YHUWUCPTNXRWOC-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(C#N)c1 ZINC001275026967 852752826 /nfs/dbraw/zinc/75/28/26/852752826.db2.gz CWTLWUCOPDGQRG-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(C#N)c1 ZINC001275026967 852752831 /nfs/dbraw/zinc/75/28/31/852752831.db2.gz CWTLWUCOPDGQRG-AYHJJNSGSA-N 2 2 313.449 1.600 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275100746 852805495 /nfs/dbraw/zinc/80/54/95/852805495.db2.gz QVRUBFJAFLLQPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100746 852805489 /nfs/dbraw/zinc/80/54/89/852805489.db2.gz QVRUBFJAFLLQPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100746 852805491 /nfs/dbraw/zinc/80/54/91/852805491.db2.gz QVRUBFJAFLLQPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275100746 852805498 /nfs/dbraw/zinc/80/54/98/852805498.db2.gz QVRUBFJAFLLQPX-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001275914000 853936761 /nfs/dbraw/zinc/93/67/61/853936761.db2.gz WRUCBVRQUFFDEO-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001275914000 853936764 /nfs/dbraw/zinc/93/67/64/853936764.db2.gz WRUCBVRQUFFDEO-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275914000 853936768 /nfs/dbraw/zinc/93/67/68/853936768.db2.gz WRUCBVRQUFFDEO-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275914000 853936771 /nfs/dbraw/zinc/93/67/71/853936771.db2.gz WRUCBVRQUFFDEO-GDBMZVCRSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149188 862755126 /nfs/dbraw/zinc/75/51/26/862755126.db2.gz FTLSWGKTKHHQTR-OAHLLOKOSA-N 2 2 310.401 1.946 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149188 862755135 /nfs/dbraw/zinc/75/51/35/862755135.db2.gz FTLSWGKTKHHQTR-OAHLLOKOSA-N 2 2 310.401 1.946 20 30 DDEDLP C[NH+](C)C1(CNc2ncnc3[nH]cc(C#N)c32)CC[NH+](C)CC1 ZINC001156176415 862776357 /nfs/dbraw/zinc/77/63/57/862776357.db2.gz MIPIMTNGFFAFGC-UHFFFAOYSA-N 2 2 313.409 1.267 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328288360 862870012 /nfs/dbraw/zinc/87/00/12/862870012.db2.gz ZMGQCCJATYTGBV-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001328288360 862870030 /nfs/dbraw/zinc/87/00/30/862870030.db2.gz ZMGQCCJATYTGBV-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121896828 858622777 /nfs/dbraw/zinc/62/27/77/858622777.db2.gz SHLQWNFMSWAVHI-ZGJUNIKESA-N 2 2 314.433 1.629 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121896828 858622783 /nfs/dbraw/zinc/62/27/83/858622783.db2.gz SHLQWNFMSWAVHI-ZGJUNIKESA-N 2 2 314.433 1.629 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121896827 858622994 /nfs/dbraw/zinc/62/29/94/858622994.db2.gz SHLQWNFMSWAVHI-QCAIOMPUSA-N 2 2 314.433 1.629 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121896827 858622998 /nfs/dbraw/zinc/62/29/98/858622998.db2.gz SHLQWNFMSWAVHI-QCAIOMPUSA-N 2 2 314.433 1.629 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857246 860167901 /nfs/dbraw/zinc/16/79/01/860167901.db2.gz QHSRGXUYSMPSRV-KBPBESRZSA-N 2 2 302.422 1.935 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)cc2F)CCC1=O ZINC001140140354 860582793 /nfs/dbraw/zinc/58/27/93/860582793.db2.gz UAQXZTJPQBMGBW-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168181 881712400 /nfs/dbraw/zinc/71/24/00/881712400.db2.gz OWNIFGATDMEMHQ-UHFFFAOYSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001330431608 864342735 /nfs/dbraw/zinc/34/27/35/864342735.db2.gz UBIPXUGOLLHXFS-HIFRSBDPSA-N 2 2 306.410 1.124 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001158148898 864456909 /nfs/dbraw/zinc/45/69/09/864456909.db2.gz UTIAXCALRNYTSS-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001158148898 864456917 /nfs/dbraw/zinc/45/69/17/864456917.db2.gz UTIAXCALRNYTSS-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158257170 864517863 /nfs/dbraw/zinc/51/78/63/864517863.db2.gz RZSQVJGKTIERND-HZPDHXFCSA-N 2 2 314.433 1.273 20 30 DDEDLP N#Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158259680 864523530 /nfs/dbraw/zinc/52/35/30/864523530.db2.gz VCKCDROVAJBFAU-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158259680 864523540 /nfs/dbraw/zinc/52/35/40/864523540.db2.gz VCKCDROVAJBFAU-LBPRGKRZSA-N 2 2 305.813 1.608 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158486640 864684120 /nfs/dbraw/zinc/68/41/20/864684120.db2.gz QDFYMKMERMJOJM-UHFFFAOYSA-N 2 2 320.437 1.060 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC001330915024 864700060 /nfs/dbraw/zinc/70/00/60/864700060.db2.gz CYHLOJCEFCGQQE-MRXNPFEDSA-N 2 2 317.437 1.321 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC001330915024 864700065 /nfs/dbraw/zinc/70/00/65/864700065.db2.gz CYHLOJCEFCGQQE-MRXNPFEDSA-N 2 2 317.437 1.321 20 30 DDEDLP C#CC[N@H+](C[C@@H]1CCCO1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001331817423 865357825 /nfs/dbraw/zinc/35/78/25/865357825.db2.gz IHDRCDYNDPSSNV-MSOLQXFVSA-N 2 2 306.450 1.744 20 30 DDEDLP C#CC[N@@H+](C[C@@H]1CCCO1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001331817423 865357839 /nfs/dbraw/zinc/35/78/39/865357839.db2.gz IHDRCDYNDPSSNV-MSOLQXFVSA-N 2 2 306.450 1.744 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001159536862 865383796 /nfs/dbraw/zinc/38/37/96/865383796.db2.gz ASGGJQAVVNTAJT-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001159536862 865383813 /nfs/dbraw/zinc/38/38/13/865383813.db2.gz ASGGJQAVVNTAJT-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001332140293 865608145 /nfs/dbraw/zinc/60/81/45/865608145.db2.gz NRRJIGIFISMOFD-GVDBMIGSSA-N 2 2 314.433 1.513 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726768 866081300 /nfs/dbraw/zinc/08/13/00/866081300.db2.gz TYRORYDACTVDKZ-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847291 866337542 /nfs/dbraw/zinc/33/75/42/866337542.db2.gz HDLJBOFUFOLBRN-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847291 866337557 /nfs/dbraw/zinc/33/75/57/866337557.db2.gz HDLJBOFUFOLBRN-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001324483029 867304084 /nfs/dbraw/zinc/30/40/84/867304084.db2.gz PTLSZACECHCKPQ-HZPDHXFCSA-N 2 2 316.449 1.896 20 30 DDEDLP C[NH+](C)C1(CNc2nccc(C#N)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164210424 869017484 /nfs/dbraw/zinc/01/74/84/869017484.db2.gz CMZDOTNOZJUILO-UHFFFAOYSA-N 2 2 318.381 1.299 20 30 DDEDLP N#Cc1ccc2cc[nH+]c(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1 ZINC001165252587 869466580 /nfs/dbraw/zinc/46/65/80/869466580.db2.gz LVXYRZOHSVECJD-UHFFFAOYSA-N 2 2 321.384 1.165 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203539064 870628428 /nfs/dbraw/zinc/62/84/28/870628428.db2.gz LUYCGHUGNBHYSR-UONOGXRCSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203804498 870767851 /nfs/dbraw/zinc/76/78/51/870767851.db2.gz UHTCGECFWCYDLB-GJZGRUSLSA-N 2 2 302.422 1.866 20 30 DDEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317442711 870842220 /nfs/dbraw/zinc/84/22/20/870842220.db2.gz LBPLWHPLXVFDCH-KRWDZBQOSA-N 2 2 317.408 1.319 20 30 DDEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317442711 870842222 /nfs/dbraw/zinc/84/22/22/870842222.db2.gz LBPLWHPLXVFDCH-KRWDZBQOSA-N 2 2 317.408 1.319 20 30 DDEDLP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317442711 870842228 /nfs/dbraw/zinc/84/22/28/870842228.db2.gz LBPLWHPLXVFDCH-KRWDZBQOSA-N 2 2 317.408 1.319 20 30 DDEDLP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317442711 870842232 /nfs/dbraw/zinc/84/22/32/870842232.db2.gz LBPLWHPLXVFDCH-KRWDZBQOSA-N 2 2 317.408 1.319 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001317727371 871446172 /nfs/dbraw/zinc/44/61/72/871446172.db2.gz PULRWOUDWGNEHI-GOSISDBHSA-N 2 2 313.445 1.799 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537239 871617305 /nfs/dbraw/zinc/61/73/05/871617305.db2.gz LJQIAWJQRJQVKJ-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+](C)CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316829163 872130021 /nfs/dbraw/zinc/13/00/21/872130021.db2.gz AJABUFIVJDZDRO-INIZCTEOSA-N 2 2 304.438 1.932 20 30 DDEDLP CC#CC[N@@H+](C)CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001316829163 872130036 /nfs/dbraw/zinc/13/00/36/872130036.db2.gz AJABUFIVJDZDRO-INIZCTEOSA-N 2 2 304.438 1.932 20 30 DDEDLP C#CCC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001318758929 872250750 /nfs/dbraw/zinc/25/07/50/872250750.db2.gz NVXMCRLPNIWHPT-RDTXWAMCSA-N 2 2 316.449 1.939 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001319084288 872431812 /nfs/dbraw/zinc/43/18/12/872431812.db2.gz CIJRYAKFYCJJJB-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP CC[NH+](CC)CCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207101287 873012535 /nfs/dbraw/zinc/01/25/35/873012535.db2.gz KMYAULDEHNWNOY-UHFFFAOYSA-N 2 2 303.454 1.356 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658976 873447942 /nfs/dbraw/zinc/44/79/42/873447942.db2.gz BIQBFRHXPCHMLG-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658976 873447947 /nfs/dbraw/zinc/44/79/47/873447947.db2.gz BIQBFRHXPCHMLG-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659691 873451064 /nfs/dbraw/zinc/45/10/64/873451064.db2.gz IOSFBRFEQSJRQP-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659691 873451067 /nfs/dbraw/zinc/45/10/67/873451067.db2.gz IOSFBRFEQSJRQP-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208436002 874138933 /nfs/dbraw/zinc/13/89/33/874138933.db2.gz SVIYWESLDPLUJL-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284699 875313044 /nfs/dbraw/zinc/31/30/44/875313044.db2.gz RRDCLMLPBVFMOD-IIAWOOMASA-N 2 2 304.438 1.754 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284699 875313056 /nfs/dbraw/zinc/31/30/56/875313056.db2.gz RRDCLMLPBVFMOD-IIAWOOMASA-N 2 2 304.438 1.754 20 30 DDEDLP N#Cc1c2c(sc1NC(=O)C[NH2+]C1CC[NH2+]CC1)CCC2 ZINC001218545834 877556446 /nfs/dbraw/zinc/55/64/46/877556446.db2.gz PHURRUFRDSYKAT-UHFFFAOYSA-N 2 2 304.419 1.389 20 30 DDEDLP N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218953280 877827087 /nfs/dbraw/zinc/82/70/87/877827087.db2.gz KXIJVOBIMLTXNM-NSHDSACASA-N 2 2 323.278 1.809 20 30 DDEDLP N#Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c2cccnc12 ZINC001219465185 878245239 /nfs/dbraw/zinc/24/52/39/878245239.db2.gz MPBHSACEIXXFFN-UHFFFAOYSA-N 2 2 309.373 1.387 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364876 879341829 /nfs/dbraw/zinc/34/18/29/879341829.db2.gz ZTIJYRKBZBMECM-ZDUSSCGKSA-N 2 2 318.259 1.427 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364876 879341845 /nfs/dbraw/zinc/34/18/45/879341845.db2.gz ZTIJYRKBZBMECM-ZDUSSCGKSA-N 2 2 318.259 1.427 20 30 DDEDLP N#CCC[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037500 879464711 /nfs/dbraw/zinc/46/47/11/879464711.db2.gz SAAFYKOVFSVOKG-KRWDZBQOSA-N 2 2 318.396 1.486 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001380659689 880137502 /nfs/dbraw/zinc/13/75/02/880137502.db2.gz ATXUKSIBUNSRMA-UONOGXRCSA-N 2 2 324.856 1.932 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001276838938 880702697 /nfs/dbraw/zinc/70/26/97/880702697.db2.gz DFAOFBMEDKQYAA-GVDBMIGSSA-N 2 2 314.433 1.513 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001276838938 880702701 /nfs/dbraw/zinc/70/27/01/880702701.db2.gz DFAOFBMEDKQYAA-GVDBMIGSSA-N 2 2 314.433 1.513 20 30 DDEDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001276840361 880709721 /nfs/dbraw/zinc/70/97/21/880709721.db2.gz NNSMWFMNKPICBQ-UHFFFAOYSA-N 2 2 315.465 1.736 20 30 DDEDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001276840361 880709729 /nfs/dbraw/zinc/70/97/29/880709729.db2.gz NNSMWFMNKPICBQ-UHFFFAOYSA-N 2 2 315.465 1.736 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CNC(=O)C3)CC2)cc1 ZINC001363884868 887468724 /nfs/dbraw/zinc/46/87/24/887468724.db2.gz JNAFRKNYTJIKRT-INIZCTEOSA-N 2 2 312.417 1.248 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278369957 891721203 /nfs/dbraw/zinc/72/12/03/891721203.db2.gz BJPAYFQWDACUPC-XJKSGUPXSA-N 2 2 310.401 1.859 20 30 DDEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367009857 895560121 /nfs/dbraw/zinc/56/01/21/895560121.db2.gz XKEOUCPLARGEDI-DLBZAZTESA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](C)C ZINC001367009857 895560130 /nfs/dbraw/zinc/56/01/30/895560130.db2.gz XKEOUCPLARGEDI-DLBZAZTESA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCCCCCC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001253243152 895745333 /nfs/dbraw/zinc/74/53/33/895745333.db2.gz SBUGGINZITVECM-GOSISDBHSA-N 2 2 309.498 1.806 20 30 DDEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001254347954 896381355 /nfs/dbraw/zinc/38/13/55/896381355.db2.gz WEXOFKPJTUCMNP-UHFFFAOYSA-N 2 2 303.381 1.847 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254517172 896474642 /nfs/dbraw/zinc/47/46/42/896474642.db2.gz FGXDAEQTNAYQQV-SJLPKXTDSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517172 896474647 /nfs/dbraw/zinc/47/46/47/896474647.db2.gz FGXDAEQTNAYQQV-SJLPKXTDSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517172 896474651 /nfs/dbraw/zinc/47/46/51/896474651.db2.gz FGXDAEQTNAYQQV-SJLPKXTDSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517172 896474657 /nfs/dbraw/zinc/47/46/57/896474657.db2.gz FGXDAEQTNAYQQV-SJLPKXTDSA-N 2 2 305.466 1.971 20 30 DDEDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254660666 896554066 /nfs/dbraw/zinc/55/40/66/896554066.db2.gz ZELMEULULGFEDW-LSDHHAIUSA-N 2 2 304.438 1.355 20 30 DDEDLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254660666 896554070 /nfs/dbraw/zinc/55/40/70/896554070.db2.gz ZELMEULULGFEDW-LSDHHAIUSA-N 2 2 304.438 1.355 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006883 897799380 /nfs/dbraw/zinc/79/93/80/897799380.db2.gz RZGULNHXUJNGOE-CVEARBPZSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001264750082 901330467 /nfs/dbraw/zinc/33/04/67/901330467.db2.gz RMNAURZSYLARLV-CYBMUJFWSA-N 2 2 320.462 1.091 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265615593 902205946 /nfs/dbraw/zinc/20/59/46/902205946.db2.gz KZTDNIXGOGDILE-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279646342 903366748 /nfs/dbraw/zinc/36/67/48/903366748.db2.gz ZTMLBQUNKMOALA-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001279646342 903366762 /nfs/dbraw/zinc/36/67/62/903366762.db2.gz ZTMLBQUNKMOALA-OAHLLOKOSA-N 2 2 300.406 1.606 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001280596443 903821808 /nfs/dbraw/zinc/82/18/08/903821808.db2.gz RHXVXHFYNKZHFB-CVEARBPZSA-N 2 2 320.437 1.473 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280621497 903849357 /nfs/dbraw/zinc/84/93/57/903849357.db2.gz SJVAYTYZFUONQI-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284024956 908335017 /nfs/dbraw/zinc/33/50/17/908335017.db2.gz GFRAOZPOUCYPBB-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262600 920823487 /nfs/dbraw/zinc/82/34/87/920823487.db2.gz XEHIHTNXQRPGHH-AWEZNQCLSA-N 2 2 318.396 1.197 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262600 920823492 /nfs/dbraw/zinc/82/34/92/920823492.db2.gz XEHIHTNXQRPGHH-AWEZNQCLSA-N 2 2 318.396 1.197 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262600 920823504 /nfs/dbraw/zinc/82/35/04/920823504.db2.gz XEHIHTNXQRPGHH-AWEZNQCLSA-N 2 2 318.396 1.197 20 30 DDEDLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262600 920823514 /nfs/dbraw/zinc/82/35/14/920823514.db2.gz XEHIHTNXQRPGHH-AWEZNQCLSA-N 2 2 318.396 1.197 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC000073108031 353237839 /nfs/dbraw/zinc/23/78/39/353237839.db2.gz FSVARNOUKRWFSI-UHFFFAOYSA-N 2 2 311.389 1.345 20 30 DDEDLP CC[C@H](C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000593488507 355900661 /nfs/dbraw/zinc/90/06/61/355900661.db2.gz KBVWIWZNCZRSOW-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894832 359278387 /nfs/dbraw/zinc/27/83/87/359278387.db2.gz ZCKQMGOJMCAZIK-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894832 359278388 /nfs/dbraw/zinc/27/83/88/359278388.db2.gz ZCKQMGOJMCAZIK-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000603848786 359688484 /nfs/dbraw/zinc/68/84/84/359688484.db2.gz VOHKEDUHYHYGQI-KRWDZBQOSA-N 2 2 317.433 1.518 20 30 DDEDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000338365290 296128221 /nfs/dbraw/zinc/12/82/21/296128221.db2.gz MEJSJCSZJURXJE-ATNYBXOESA-N 2 2 317.433 1.679 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910023 284348448 /nfs/dbraw/zinc/34/84/48/284348448.db2.gz OIZYRUOUSYPBKJ-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910023 284348449 /nfs/dbraw/zinc/34/84/49/284348449.db2.gz OIZYRUOUSYPBKJ-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910023 284348451 /nfs/dbraw/zinc/34/84/51/284348451.db2.gz OIZYRUOUSYPBKJ-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000173910023 284348452 /nfs/dbraw/zinc/34/84/52/284348452.db2.gz OIZYRUOUSYPBKJ-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000101600832 407312775 /nfs/dbraw/zinc/31/27/75/407312775.db2.gz KURCMBURLZLXPI-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000101600832 407312776 /nfs/dbraw/zinc/31/27/76/407312776.db2.gz KURCMBURLZLXPI-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP Cc1[nH+]ccn1CCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000124930039 407373737 /nfs/dbraw/zinc/37/37/37/407373737.db2.gz RLLHAWFBAMGECJ-UHFFFAOYSA-N 2 2 319.453 1.520 20 30 DDEDLP Cc1[nH+]ccn1CCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000124930039 407373738 /nfs/dbraw/zinc/37/37/38/407373738.db2.gz RLLHAWFBAMGECJ-UHFFFAOYSA-N 2 2 319.453 1.520 20 30 DDEDLP Cc1[nH+]ccn1CCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000124930039 407373740 /nfs/dbraw/zinc/37/37/40/407373740.db2.gz RLLHAWFBAMGECJ-UHFFFAOYSA-N 2 2 319.453 1.520 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905322 407551208 /nfs/dbraw/zinc/55/12/08/407551208.db2.gz KUKJMLDFIAVHDP-UHFFFAOYSA-N 2 2 313.405 1.997 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000171735549 407754345 /nfs/dbraw/zinc/75/43/45/407754345.db2.gz RRKSVHUTVWNSQS-GJZGRUSLSA-N 2 2 324.469 1.045 20 30 DDEDLP C[NH+]=C(NCc1nccs1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160030632 408451892 /nfs/dbraw/zinc/45/18/92/408451892.db2.gz PFTBEOUNADXCJA-OLZOCXBDSA-N 2 2 318.450 1.998 20 30 DDEDLP C#CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162584507 408715555 /nfs/dbraw/zinc/71/55/55/408715555.db2.gz VWRTUQYXEJUDEL-IRXDYDNUSA-N 2 2 320.481 1.598 20 30 DDEDLP C#CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162584507 408715561 /nfs/dbraw/zinc/71/55/61/408715561.db2.gz VWRTUQYXEJUDEL-IRXDYDNUSA-N 2 2 320.481 1.598 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000277260691 408907537 /nfs/dbraw/zinc/90/75/37/408907537.db2.gz QYDGJPJLBGHVHH-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000277260691 408907540 /nfs/dbraw/zinc/90/75/40/408907540.db2.gz QYDGJPJLBGHVHH-QGZVFWFLSA-N 2 2 314.433 1.591 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106946 409050732 /nfs/dbraw/zinc/05/07/32/409050732.db2.gz YDTWKAXGQIJZMO-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106946 409050735 /nfs/dbraw/zinc/05/07/35/409050735.db2.gz YDTWKAXGQIJZMO-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293106946 409050737 /nfs/dbraw/zinc/05/07/37/409050737.db2.gz YDTWKAXGQIJZMO-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293106946 409050740 /nfs/dbraw/zinc/05/07/40/409050740.db2.gz YDTWKAXGQIJZMO-WMZOPIPTSA-N 2 2 305.466 1.993 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802496 409092028 /nfs/dbraw/zinc/09/20/28/409092028.db2.gz FZZQZLKPVPCGKF-AWEZNQCLSA-N 2 2 314.433 1.537 20 30 DDEDLP Cc1nsc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1C#N ZINC000289429947 409270392 /nfs/dbraw/zinc/27/03/92/409270392.db2.gz IXQKXYYMGASLJQ-UHFFFAOYSA-N 2 2 316.434 1.732 20 30 DDEDLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cn2c1 ZINC000328961521 410023445 /nfs/dbraw/zinc/02/34/45/410023445.db2.gz QDFMJENCUHZQFY-HNNXBMFYSA-N 2 2 313.405 1.489 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191635 410580100 /nfs/dbraw/zinc/58/01/00/410580100.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191635 410580104 /nfs/dbraw/zinc/58/01/04/410580104.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191635 410580110 /nfs/dbraw/zinc/58/01/10/410580110.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191635 410580115 /nfs/dbraw/zinc/58/01/15/410580115.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000330191635 410580121 /nfs/dbraw/zinc/58/01/21/410580121.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000330191635 410580124 /nfs/dbraw/zinc/58/01/24/410580124.db2.gz NFPOUOFJCXZSPI-UPJWGTAASA-N 2 2 303.410 1.327 20 30 DDEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935824 410689554 /nfs/dbraw/zinc/68/95/54/410689554.db2.gz JFFXMZYKBORIQI-CQSZACIVSA-N 2 2 313.323 1.733 20 30 DDEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935824 410689561 /nfs/dbraw/zinc/68/95/61/410689561.db2.gz JFFXMZYKBORIQI-CQSZACIVSA-N 2 2 313.323 1.733 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246868487 222225663 /nfs/dbraw/zinc/22/56/63/222225663.db2.gz AFZCMJZNCWIEPT-AEFFLSMTSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246868487 222225665 /nfs/dbraw/zinc/22/56/65/222225665.db2.gz AFZCMJZNCWIEPT-AEFFLSMTSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000264234417 222328655 /nfs/dbraw/zinc/32/86/55/222328655.db2.gz CVAKIYOFVOMYSP-HNNXBMFYSA-N 3 2 318.469 1.662 20 30 DDEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CCSCC1 ZINC000262004459 222269520 /nfs/dbraw/zinc/26/95/20/222269520.db2.gz QYBNWQAVQORHCJ-UHFFFAOYSA-N 2 2 301.419 1.736 20 30 DDEDLP C=C(Br)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378374298 418722167 /nfs/dbraw/zinc/72/21/67/418722167.db2.gz ZJISZPUGHJDCEN-ZDUSSCGKSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378374298 418722170 /nfs/dbraw/zinc/72/21/70/418722170.db2.gz ZJISZPUGHJDCEN-ZDUSSCGKSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369434 418733003 /nfs/dbraw/zinc/73/30/03/418733003.db2.gz GYPJSQLETZTYQR-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369434 418733004 /nfs/dbraw/zinc/73/30/04/418733004.db2.gz GYPJSQLETZTYQR-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369816484 418737994 /nfs/dbraw/zinc/73/79/94/418737994.db2.gz TVCBGNGGKATIML-GJZGRUSLSA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369816484 418737996 /nfs/dbraw/zinc/73/79/96/418737996.db2.gz TVCBGNGGKATIML-GJZGRUSLSA-N 2 2 322.453 1.195 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000370385718 418743965 /nfs/dbraw/zinc/74/39/65/418743965.db2.gz CTDRRTAEGJQWPU-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000363489931 418766916 /nfs/dbraw/zinc/76/69/16/418766916.db2.gz PLONRPIISMGOPX-QGPMSJSTSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363489931 418766917 /nfs/dbraw/zinc/76/69/17/418766917.db2.gz PLONRPIISMGOPX-QGPMSJSTSA-N 2 2 315.417 1.930 20 30 DDEDLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424154545 228237260 /nfs/dbraw/zinc/23/72/60/228237260.db2.gz MOOZRZCKCGXINC-GOEBONIOSA-N 2 2 315.421 1.308 20 30 DDEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)[NH3+] ZINC000418692998 419938581 /nfs/dbraw/zinc/93/85/81/419938581.db2.gz GHUGANVXQNEMKH-UONOGXRCSA-N 2 2 315.421 1.121 20 30 DDEDLP CC1CC[NH+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000549761806 421507548 /nfs/dbraw/zinc/50/75/48/421507548.db2.gz UAKONKHPXVXCKU-UHFFFAOYSA-N 2 2 312.421 1.813 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000536594148 421722153 /nfs/dbraw/zinc/72/21/53/421722153.db2.gz OXZLBULZIXUTGQ-MRXNPFEDSA-N 2 2 323.400 1.397 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000536594148 421722155 /nfs/dbraw/zinc/72/21/55/421722155.db2.gz OXZLBULZIXUTGQ-MRXNPFEDSA-N 2 2 323.400 1.397 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000576289499 422372973 /nfs/dbraw/zinc/37/29/73/422372973.db2.gz GQIVPQNJDFGWHR-CQSZACIVSA-N 2 2 320.462 1.674 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)CC1 ZINC000576276378 422373242 /nfs/dbraw/zinc/37/32/42/422373242.db2.gz HXLBURJNOFJGEA-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)Cc1ccccc1 ZINC000264114741 279303447 /nfs/dbraw/zinc/30/34/47/279303447.db2.gz SBESXJLPMDEDAQ-QGZVFWFLSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)Cc1ccccc1 ZINC000264114741 279303449 /nfs/dbraw/zinc/30/34/49/279303449.db2.gz SBESXJLPMDEDAQ-QGZVFWFLSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264114741 279303450 /nfs/dbraw/zinc/30/34/50/279303450.db2.gz SBESXJLPMDEDAQ-QGZVFWFLSA-N 3 2 317.481 1.507 20 30 DDEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264114741 279303451 /nfs/dbraw/zinc/30/34/51/279303451.db2.gz SBESXJLPMDEDAQ-QGZVFWFLSA-N 3 2 317.481 1.507 20 30 DDEDLP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000573315688 308236891 /nfs/dbraw/zinc/23/68/91/308236891.db2.gz RLJCBFMZSMFTSP-XOKHGSTOSA-N 2 2 312.417 1.389 20 30 DDEDLP CC#CC[NH2+]Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455511 490632723 /nfs/dbraw/zinc/63/27/23/490632723.db2.gz JWPWAOOKKROPTM-SFHVURJKSA-N 2 2 309.417 1.838 20 30 DDEDLP CC#CC[NH2+]Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455511 490632725 /nfs/dbraw/zinc/63/27/25/490632725.db2.gz JWPWAOOKKROPTM-SFHVURJKSA-N 2 2 309.417 1.838 20 30 DDEDLP COc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1C#N ZINC000423129299 533893603 /nfs/dbraw/zinc/89/36/03/533893603.db2.gz WWJNSFBINDONCA-SJORKVTESA-N 2 2 301.390 1.423 20 30 DDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424185373 534446254 /nfs/dbraw/zinc/44/62/54/534446254.db2.gz ZJEDRCHNWOWSKB-CYBMUJFWSA-N 2 2 317.393 1.186 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350092368 528361091 /nfs/dbraw/zinc/36/10/91/528361091.db2.gz QKOJDEWHFIHERO-INIZCTEOSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350092368 528361092 /nfs/dbraw/zinc/36/10/92/528361092.db2.gz QKOJDEWHFIHERO-INIZCTEOSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350092368 528361093 /nfs/dbraw/zinc/36/10/93/528361093.db2.gz QKOJDEWHFIHERO-INIZCTEOSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350092368 528361094 /nfs/dbraw/zinc/36/10/94/528361094.db2.gz QKOJDEWHFIHERO-INIZCTEOSA-N 2 2 306.454 1.412 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980231878 696714295 /nfs/dbraw/zinc/71/42/95/696714295.db2.gz UBELQVOSIBENGH-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000980231878 696714297 /nfs/dbraw/zinc/71/42/97/696714297.db2.gz UBELQVOSIBENGH-KKUMJFAQSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466009 695257734 /nfs/dbraw/zinc/25/77/34/695257734.db2.gz OJYVVMITKBZQBZ-KRWDZBQOSA-N 2 2 318.421 1.071 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466009 695257735 /nfs/dbraw/zinc/25/77/35/695257735.db2.gz OJYVVMITKBZQBZ-KRWDZBQOSA-N 2 2 318.421 1.071 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619460 695301183 /nfs/dbraw/zinc/30/11/83/695301183.db2.gz QQYNXDORFSUMIN-INIZCTEOSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619460 695301185 /nfs/dbraw/zinc/30/11/85/695301185.db2.gz QQYNXDORFSUMIN-INIZCTEOSA-N 2 2 323.400 1.557 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738031 695722580 /nfs/dbraw/zinc/72/25/80/695722580.db2.gz CEHCHIOAGIKVQZ-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738031 695722581 /nfs/dbraw/zinc/72/25/81/695722581.db2.gz CEHCHIOAGIKVQZ-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975062978 695787048 /nfs/dbraw/zinc/78/70/48/695787048.db2.gz QGCPFOGCAQPGNC-OCCSQVGLSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975062978 695787051 /nfs/dbraw/zinc/78/70/51/695787051.db2.gz QGCPFOGCAQPGNC-OCCSQVGLSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975062978 695787053 /nfs/dbraw/zinc/78/70/53/695787053.db2.gz QGCPFOGCAQPGNC-OCCSQVGLSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975062978 695787056 /nfs/dbraw/zinc/78/70/56/695787056.db2.gz QGCPFOGCAQPGNC-OCCSQVGLSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507690 697521665 /nfs/dbraw/zinc/52/16/65/697521665.db2.gz MDFZMVCZUAWWTJ-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507690 697521667 /nfs/dbraw/zinc/52/16/67/697521667.db2.gz MDFZMVCZUAWWTJ-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507661 697521713 /nfs/dbraw/zinc/52/17/13/697521713.db2.gz LLGUJBACOYMOIA-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000985507661 697521714 /nfs/dbraw/zinc/52/17/14/697521714.db2.gz LLGUJBACOYMOIA-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603328 698162049 /nfs/dbraw/zinc/16/20/49/698162049.db2.gz HDNZFFYLEUIFHY-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP Cc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000303789973 698607031 /nfs/dbraw/zinc/60/70/31/698607031.db2.gz VZZYSLQPSNAOGG-QGZVFWFLSA-N 2 2 317.481 1.994 20 30 DDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303986721 698612623 /nfs/dbraw/zinc/61/26/23/698612623.db2.gz USQUADBRKMRUTQ-UHFFFAOYSA-N 2 2 310.398 1.009 20 30 DDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303986721 698612625 /nfs/dbraw/zinc/61/26/25/698612625.db2.gz USQUADBRKMRUTQ-UHFFFAOYSA-N 2 2 310.398 1.009 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000729355807 699477489 /nfs/dbraw/zinc/47/74/89/699477489.db2.gz XVBILHFCCVZADU-KRWDZBQOSA-N 2 2 305.466 1.664 20 30 DDEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866260278 706660415 /nfs/dbraw/zinc/66/04/15/706660415.db2.gz KDPMZKZPHZMQRI-ZIAGYGMSSA-N 2 2 302.422 1.550 20 30 DDEDLP Cc1noc(CCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000842036987 702661076 /nfs/dbraw/zinc/66/10/76/702661076.db2.gz SHAXVYOZEGIPPV-UHFFFAOYSA-N 2 2 317.393 1.709 20 30 DDEDLP C#C[C@@](C)(CC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852099608 703922492 /nfs/dbraw/zinc/92/24/92/703922492.db2.gz NNIZTUXABJDQSH-SFHVURJKSA-N 2 2 314.433 1.512 20 30 DDEDLP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852102151 703923448 /nfs/dbraw/zinc/92/34/48/703923448.db2.gz WLEGVSVWGZCQRF-CRAIPNDOSA-N 2 2 314.433 1.510 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000870532846 704071152 /nfs/dbraw/zinc/07/11/52/704071152.db2.gz DVFRNGCNIMTNDZ-INIZCTEOSA-N 2 2 315.421 1.186 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000870532846 704071153 /nfs/dbraw/zinc/07/11/53/704071153.db2.gz DVFRNGCNIMTNDZ-INIZCTEOSA-N 2 2 315.421 1.186 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000900724224 709729111 /nfs/dbraw/zinc/72/91/11/709729111.db2.gz MVZVUCWFAAQIHX-MRXNPFEDSA-N 2 2 316.449 1.795 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792518 710901951 /nfs/dbraw/zinc/90/19/51/710901951.db2.gz BHEZZJHCRBRKFT-DZGCQCFKSA-N 2 2 315.421 1.191 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792518 710901955 /nfs/dbraw/zinc/90/19/55/710901955.db2.gz BHEZZJHCRBRKFT-DZGCQCFKSA-N 2 2 315.421 1.191 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894863588 711300450 /nfs/dbraw/zinc/30/04/50/711300450.db2.gz LATVWJXOSQYUNH-UHFFFAOYSA-N 2 2 305.422 1.969 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894863588 711300454 /nfs/dbraw/zinc/30/04/54/711300454.db2.gz LATVWJXOSQYUNH-UHFFFAOYSA-N 2 2 305.422 1.969 20 30 DDEDLP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1C#N ZINC000931440387 714098684 /nfs/dbraw/zinc/09/86/84/714098684.db2.gz TZBUMLWNSSCVIX-DZGCQCFKSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1C#N ZINC000931440387 714098686 /nfs/dbraw/zinc/09/86/86/714098686.db2.gz TZBUMLWNSSCVIX-DZGCQCFKSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1C#N ZINC000931440387 714098689 /nfs/dbraw/zinc/09/86/89/714098689.db2.gz TZBUMLWNSSCVIX-DZGCQCFKSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1C#N ZINC000931440387 714098690 /nfs/dbraw/zinc/09/86/90/714098690.db2.gz TZBUMLWNSSCVIX-DZGCQCFKSA-N 2 2 313.401 1.728 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181458 717531389 /nfs/dbraw/zinc/53/13/89/717531389.db2.gz RPTUCTUZVALJND-HIFRSBDPSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942181458 717531391 /nfs/dbraw/zinc/53/13/91/717531391.db2.gz RPTUCTUZVALJND-HIFRSBDPSA-N 2 2 302.422 1.386 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859101 718928880 /nfs/dbraw/zinc/92/88/80/718928880.db2.gz KKWIZFZWDMEDFN-GASCZTMLSA-N 2 2 314.433 1.491 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946859101 718928882 /nfs/dbraw/zinc/92/88/82/718928882.db2.gz KKWIZFZWDMEDFN-GASCZTMLSA-N 2 2 314.433 1.491 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859202 718928940 /nfs/dbraw/zinc/92/89/40/718928940.db2.gz NRADMVBDMZULPO-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859202 718928943 /nfs/dbraw/zinc/92/89/43/718928943.db2.gz NRADMVBDMZULPO-IYBDPMFKSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477759 719607775 /nfs/dbraw/zinc/60/77/75/719607775.db2.gz WGJPAAYVMGQUTK-WMLDXEAASA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477759 719607778 /nfs/dbraw/zinc/60/77/78/719607778.db2.gz WGJPAAYVMGQUTK-WMLDXEAASA-N 2 2 323.400 1.341 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969518542 720171315 /nfs/dbraw/zinc/17/13/15/720171315.db2.gz MDJORIHIHNZDQY-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969996066 720591210 /nfs/dbraw/zinc/59/12/10/720591210.db2.gz HTJQTODRAOZCDS-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000950639926 720716813 /nfs/dbraw/zinc/71/68/13/720716813.db2.gz WULMFBGGZAILGZ-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH+]1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165032105 721869740 /nfs/dbraw/zinc/86/97/40/721869740.db2.gz HTNFOKLKIIAKDT-UHFFFAOYSA-N 3 2 301.438 1.317 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023682518 735394802 /nfs/dbraw/zinc/39/48/02/735394802.db2.gz BUXBDHSFPZMAKH-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001023682518 735394807 /nfs/dbraw/zinc/39/48/07/735394807.db2.gz BUXBDHSFPZMAKH-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)C ZINC001024488455 735865852 /nfs/dbraw/zinc/86/58/52/735865852.db2.gz YWZMYIWPUGRBQM-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)C ZINC001024488455 735865853 /nfs/dbraw/zinc/86/58/53/735865853.db2.gz YWZMYIWPUGRBQM-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(=C)C ZINC001024488455 735865856 /nfs/dbraw/zinc/86/58/56/735865856.db2.gz YWZMYIWPUGRBQM-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(=C)C ZINC001024488455 735865859 /nfs/dbraw/zinc/86/58/59/735865859.db2.gz YWZMYIWPUGRBQM-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753888 733514395 /nfs/dbraw/zinc/51/43/95/733514395.db2.gz JDAPGFQHNPABFC-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021753888 733514397 /nfs/dbraw/zinc/51/43/97/733514397.db2.gz JDAPGFQHNPABFC-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929258 738824391 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ZINC001040181309 741731393 /nfs/dbraw/zinc/73/13/93/741731393.db2.gz OTOJRXSYJXXAEN-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181309 741731398 /nfs/dbraw/zinc/73/13/98/741731398.db2.gz OTOJRXSYJXXAEN-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304467 761886305 /nfs/dbraw/zinc/88/63/05/761886305.db2.gz FRBFSFVIVFFDJX-YOEHRIQHSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304467 761886314 /nfs/dbraw/zinc/88/63/14/761886314.db2.gz FRBFSFVIVFFDJX-YOEHRIQHSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303455 742647867 /nfs/dbraw/zinc/64/78/67/742647867.db2.gz VRVFBCYYKHSJLF-OWCLPIDISA-N 2 2 300.406 1.390 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303455 742647871 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30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001186761848 744443120 /nfs/dbraw/zinc/44/31/20/744443120.db2.gz FKHOKJZNQPOYCC-CQSZACIVSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000446 744563535 /nfs/dbraw/zinc/56/35/35/744563535.db2.gz PSIYJHUAZSIAOB-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000446 744563537 /nfs/dbraw/zinc/56/35/37/744563537.db2.gz PSIYJHUAZSIAOB-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992170310 744656661 /nfs/dbraw/zinc/65/66/61/744656661.db2.gz USJUFUVUUNSOJA-DHSIGJKJSA-N 2 2 312.417 1.576 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@H]12 ZINC000992170310 744656664 /nfs/dbraw/zinc/65/66/64/744656664.db2.gz USJUFUVUUNSOJA-DHSIGJKJSA-N 2 2 312.417 1.576 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992488242 744914061 /nfs/dbraw/zinc/91/40/61/744914061.db2.gz NEOQLASQRBJWAP-HOCLYGCPSA-N 2 2 311.857 1.948 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992488242 744914062 /nfs/dbraw/zinc/91/40/62/744914062.db2.gz NEOQLASQRBJWAP-HOCLYGCPSA-N 2 2 311.857 1.948 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260442 745164772 /nfs/dbraw/zinc/16/47/72/745164772.db2.gz SRJWTVPQJNXDQA-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260442 745164776 /nfs/dbraw/zinc/16/47/76/745164776.db2.gz SRJWTVPQJNXDQA-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009701 745402650 /nfs/dbraw/zinc/40/26/50/745402650.db2.gz HYJFEWPDOICJAM-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009701 745402652 /nfs/dbraw/zinc/40/26/52/745402652.db2.gz HYJFEWPDOICJAM-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640390 745853875 /nfs/dbraw/zinc/85/38/75/745853875.db2.gz WMCDBKGHGIJACZ-HUUCEWRRSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640390 745853876 /nfs/dbraw/zinc/85/38/76/745853876.db2.gz WMCDBKGHGIJACZ-HUUCEWRRSA-N 2 2 320.437 1.250 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240845 746745387 /nfs/dbraw/zinc/74/53/87/746745387.db2.gz PNBNNQDQYRDZQM-CABCVRRESA-N 2 2 302.422 1.866 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003193918 747055451 /nfs/dbraw/zinc/05/54/51/747055451.db2.gz PPJUGQGPSMIPQC-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031579695 747093783 /nfs/dbraw/zinc/09/37/83/747093783.db2.gz KEOVDJCHLDLXRD-HNNXBMFYSA-N 2 2 318.446 1.262 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031579695 747093789 /nfs/dbraw/zinc/09/37/89/747093789.db2.gz KEOVDJCHLDLXRD-HNNXBMFYSA-N 2 2 318.446 1.262 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089528341 747159382 /nfs/dbraw/zinc/15/93/82/747159382.db2.gz JDHNCRPWVIGFKF-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC001089528341 747159387 /nfs/dbraw/zinc/15/93/87/747159387.db2.gz JDHNCRPWVIGFKF-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031686093 747376758 /nfs/dbraw/zinc/37/67/58/747376758.db2.gz JGSAWVQWZCIWOG-INIZCTEOSA-N 2 2 317.437 1.414 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686093 747376769 /nfs/dbraw/zinc/37/67/69/747376769.db2.gz JGSAWVQWZCIWOG-INIZCTEOSA-N 2 2 317.437 1.414 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003955475 747800174 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HHLJTQYMQWPUJQ-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039270278 761902271 /nfs/dbraw/zinc/90/22/71/761902271.db2.gz VDNSMZCKMAINFH-WTXIUTQJSA-N 2 2 307.438 1.005 20 30 DDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039270278 761902276 /nfs/dbraw/zinc/90/22/76/761902276.db2.gz VDNSMZCKMAINFH-WTXIUTQJSA-N 2 2 307.438 1.005 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996071842 749358672 /nfs/dbraw/zinc/35/86/72/749358672.db2.gz FDVJXPBRJJJYIY-CYBMUJFWSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039440064 762035231 /nfs/dbraw/zinc/03/52/31/762035231.db2.gz RMWQTTGRJUXKEZ-QKPAOTATSA-N 2 2 312.417 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039440064 762035241 /nfs/dbraw/zinc/03/52/41/762035241.db2.gz RMWQTTGRJUXKEZ-QKPAOTATSA-N 2 2 312.417 1.222 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530394 750522944 /nfs/dbraw/zinc/52/29/44/750522944.db2.gz XHPPFQXHLJMMKY-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530394 750522946 /nfs/dbraw/zinc/52/29/46/750522946.db2.gz XHPPFQXHLJMMKY-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107907996 750620983 /nfs/dbraw/zinc/62/09/83/750620983.db2.gz FCRJOSKEBDIEJX-QGZVFWFLSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107907996 750620985 /nfs/dbraw/zinc/62/09/85/750620985.db2.gz FCRJOSKEBDIEJX-QGZVFWFLSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999169437 752597526 /nfs/dbraw/zinc/59/75/26/752597526.db2.gz RLKHDRQGNPLPHE-OFLPRAFFSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999169437 752597530 /nfs/dbraw/zinc/59/75/30/752597530.db2.gz RLKHDRQGNPLPHE-OFLPRAFFSA-N 2 2 321.465 1.252 20 30 DDEDLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999605681 753004228 /nfs/dbraw/zinc/00/42/28/753004228.db2.gz MZXOXAQIRDAVDR-UHFFFAOYSA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999788004 753164535 /nfs/dbraw/zinc/16/45/35/753164535.db2.gz AFVLLTBTBPFQQR-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999788004 753164541 /nfs/dbraw/zinc/16/45/41/753164541.db2.gz AFVLLTBTBPFQQR-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001842916 754534761 /nfs/dbraw/zinc/53/47/61/754534761.db2.gz VMXYYGSQDZOLMD-HZPDHXFCSA-N 2 2 316.449 1.928 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001079878006 755617981 /nfs/dbraw/zinc/61/79/81/755617981.db2.gz AKUDHADFWJKEQW-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001079878006 755617982 /nfs/dbraw/zinc/61/79/82/755617982.db2.gz AKUDHADFWJKEQW-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001079878006 755617983 /nfs/dbraw/zinc/61/79/83/755617983.db2.gz AKUDHADFWJKEQW-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001079878006 755617985 /nfs/dbraw/zinc/61/79/85/755617985.db2.gz AKUDHADFWJKEQW-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040177799 762426266 /nfs/dbraw/zinc/42/62/66/762426266.db2.gz ALGCCNVCQCKXOY-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040177799 762426270 /nfs/dbraw/zinc/42/62/70/762426270.db2.gz ALGCCNVCQCKXOY-QGZVFWFLSA-N 2 2 300.406 1.290 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001016251132 756868417 /nfs/dbraw/zinc/86/84/17/756868417.db2.gz KIEVRQHZNRENNY-ZDUSSCGKSA-N 2 2 318.446 1.406 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC001016251132 756868423 /nfs/dbraw/zinc/86/84/23/756868423.db2.gz KIEVRQHZNRENNY-ZDUSSCGKSA-N 2 2 318.446 1.406 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097370454 757115631 /nfs/dbraw/zinc/11/56/31/757115631.db2.gz DNKAVQJGNQWACA-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001097370454 757115637 /nfs/dbraw/zinc/11/56/37/757115637.db2.gz DNKAVQJGNQWACA-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929721 757485636 /nfs/dbraw/zinc/48/56/36/757485636.db2.gz FHEABEPECKDWGU-OAHLLOKOSA-N 2 2 302.422 1.509 20 30 DDEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929720 757485713 /nfs/dbraw/zinc/48/57/13/757485713.db2.gz 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DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001152988 762596915 /nfs/dbraw/zinc/59/69/15/762596915.db2.gz VBVCMAAUKOVPML-IUODEOHRSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001152988 762596926 /nfs/dbraw/zinc/59/69/26/762596926.db2.gz VBVCMAAUKOVPML-IUODEOHRSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001152988 762596932 /nfs/dbraw/zinc/59/69/32/762596932.db2.gz VBVCMAAUKOVPML-IUODEOHRSA-N 2 2 311.857 1.685 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565850 758036017 /nfs/dbraw/zinc/03/60/17/758036017.db2.gz XEOXIFZANVPNBF-OAGGEKHMSA-N 2 2 314.433 1.705 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565850 758036029 /nfs/dbraw/zinc/03/60/29/758036029.db2.gz XEOXIFZANVPNBF-OAGGEKHMSA-N 2 2 314.433 1.705 20 30 DDEDLP 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20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039239172 761874966 /nfs/dbraw/zinc/87/49/66/761874966.db2.gz RBKMIDVWZAMILM-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042090302 763639821 /nfs/dbraw/zinc/63/98/21/763639821.db2.gz JLYUPGASPDGNDU-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042090302 763639824 /nfs/dbraw/zinc/63/98/24/763639824.db2.gz JLYUPGASPDGNDU-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042090302 763639827 /nfs/dbraw/zinc/63/98/27/763639827.db2.gz JLYUPGASPDGNDU-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042090302 763639830 /nfs/dbraw/zinc/63/98/30/763639830.db2.gz JLYUPGASPDGNDU-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684382 763917350 /nfs/dbraw/zinc/91/73/50/763917350.db2.gz KLBNTSHAUGAUJL-OAHLLOKOSA-N 2 2 302.422 1.945 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001043616013 765006276 /nfs/dbraw/zinc/00/62/76/765006276.db2.gz DKTOMIVNMHKVQO-SFHVURJKSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001043616013 765006281 /nfs/dbraw/zinc/00/62/81/765006281.db2.gz DKTOMIVNMHKVQO-SFHVURJKSA-N 2 2 317.477 1.949 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001113432086 765687725 /nfs/dbraw/zinc/68/77/25/765687725.db2.gz JVMJKXHMLFPXIJ-UHFFFAOYSA-N 2 2 309.454 1.209 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505705 765897078 /nfs/dbraw/zinc/89/70/78/765897078.db2.gz NLPDVYRILTXCGZ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052505705 765897084 /nfs/dbraw/zinc/89/70/84/765897084.db2.gz NLPDVYRILTXCGZ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457714 768872765 /nfs/dbraw/zinc/87/27/65/768872765.db2.gz LWLSDWMSYMTPIQ-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457714 768872777 /nfs/dbraw/zinc/87/27/77/768872777.db2.gz LWLSDWMSYMTPIQ-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875194 769280267 /nfs/dbraw/zinc/28/02/67/769280267.db2.gz UTGBISXYYBYEIE-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875194 769280273 /nfs/dbraw/zinc/28/02/73/769280273.db2.gz UTGBISXYYBYEIE-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133269915 769655310 /nfs/dbraw/zinc/65/53/10/769655310.db2.gz GYFMAUSZKXEKIX-UKRRQHHQSA-N 2 2 302.422 1.358 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133289413 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FNNNSXJQOKXCLS-KURKYZTESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(C)C ZINC001049528492 770980252 /nfs/dbraw/zinc/98/02/52/770980252.db2.gz FNNNSXJQOKXCLS-KURKYZTESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001146561890 772895326 /nfs/dbraw/zinc/89/53/26/772895326.db2.gz LDGXMWYSPZKVQF-KBPBESRZSA-N 2 2 319.474 1.612 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001146561890 772895327 /nfs/dbraw/zinc/89/53/27/772895327.db2.gz LDGXMWYSPZKVQF-KBPBESRZSA-N 2 2 319.474 1.612 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148887672 773639334 /nfs/dbraw/zinc/63/93/34/773639334.db2.gz OPVQZUDNQXWNFO-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148887672 773639338 /nfs/dbraw/zinc/63/93/38/773639338.db2.gz OPVQZUDNQXWNFO-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950460 773740420 /nfs/dbraw/zinc/74/04/20/773740420.db2.gz BKQQBZAAQMRVAS-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074296393 773801160 /nfs/dbraw/zinc/80/11/60/773801160.db2.gz FTANSDPQVOLCFF-HZPDHXFCSA-N 2 2 318.421 1.069 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074296393 773801164 /nfs/dbraw/zinc/80/11/64/773801164.db2.gz FTANSDPQVOLCFF-HZPDHXFCSA-N 2 2 318.421 1.069 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102498 774395950 /nfs/dbraw/zinc/39/59/50/774395950.db2.gz HQDJFJGIXQXEPZ-HUUCEWRRSA-N 2 2 323.400 1.198 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102498 774395958 /nfs/dbraw/zinc/39/59/58/774395958.db2.gz HQDJFJGIXQXEPZ-HUUCEWRRSA-N 2 2 323.400 1.198 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777683 774591120 /nfs/dbraw/zinc/59/11/20/774591120.db2.gz GMGJSHLXUCYUAD-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036777683 774591125 /nfs/dbraw/zinc/59/11/25/774591125.db2.gz GMGJSHLXUCYUAD-CVEARBPZSA-N 2 2 316.449 1.852 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018160 775577608 /nfs/dbraw/zinc/57/76/08/775577608.db2.gz POYPQDPTRDKMDV-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018160 775577618 /nfs/dbraw/zinc/57/76/18/775577618.db2.gz POYPQDPTRDKMDV-CVEARBPZSA-N 2 2 322.453 1.474 20 30 DDEDLP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579380 777270555 /nfs/dbraw/zinc/27/05/55/777270555.db2.gz DQMNFTLMPGIFHQ-UHFFFAOYSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414784 778124918 /nfs/dbraw/zinc/12/49/18/778124918.db2.gz NSDAUJPFPDHTKP-OWCLPIDISA-N 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C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433654 866664314 /nfs/dbraw/zinc/66/43/14/866664314.db2.gz GERCLEWTPGBLQB-OAHLLOKOSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433654 866664330 /nfs/dbraw/zinc/66/43/30/866664330.db2.gz GERCLEWTPGBLQB-OAHLLOKOSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433654 866664347 /nfs/dbraw/zinc/66/43/47/866664347.db2.gz GERCLEWTPGBLQB-OAHLLOKOSA-N 2 2 314.433 1.750 20 30 DDEDLP C[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])CC[NH3+])C1=CC(=O)CCC1 ZINC001161510456 866726274 /nfs/dbraw/zinc/72/62/74/866726274.db2.gz XZRXMERSCLDMIN-DYVFJYSZSA-N 2 2 315.417 1.889 20 30 DDEDLP N#CCC[NH2+]CC(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584899 866785623 /nfs/dbraw/zinc/78/56/23/866785623.db2.gz SEVPWMQQDVOUJK-UHFFFAOYSA-N 2 2 312.417 1.153 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805750 867005603 /nfs/dbraw/zinc/00/56/03/867005603.db2.gz PVQOXOPDGIAXEU-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161805750 867005618 /nfs/dbraw/zinc/00/56/18/867005618.db2.gz PVQOXOPDGIAXEU-UHFFFAOYSA-N 2 2 302.422 1.677 20 30 DDEDLP CC(C)C[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)C(=O)NO ZINC001163418372 868436789 /nfs/dbraw/zinc/43/67/89/868436789.db2.gz UOFNCMBUPZNVOR-ZDUSSCGKSA-N 2 2 321.425 1.165 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001164600452 869318801 /nfs/dbraw/zinc/31/88/01/869318801.db2.gz PSRRZXOTSLZDDX-UHFFFAOYSA-N 2 2 314.433 1.271 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203537063 870626530 /nfs/dbraw/zinc/62/65/30/870626530.db2.gz BNGHLBXXNCHFLM-ZIAGYGMSSA-N 2 2 318.421 1.172 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203813952 870773071 /nfs/dbraw/zinc/77/30/71/870773071.db2.gz GKVSVLJUFNMYOV-CABCVRRESA-N 2 2 318.421 1.103 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317876905 871613948 /nfs/dbraw/zinc/61/39/48/871613948.db2.gz QFIKEQZXJKDABG-INIZCTEOSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317876905 871613955 /nfs/dbraw/zinc/61/39/55/871613955.db2.gz QFIKEQZXJKDABG-INIZCTEOSA-N 2 2 314.433 1.249 20 30 DDEDLP C=CCOCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804893 871822559 /nfs/dbraw/zinc/82/25/59/871822559.db2.gz IRUOQEQURZSFLU-UHFFFAOYSA-N 2 2 320.437 1.304 20 30 DDEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226686993 882585303 /nfs/dbraw/zinc/58/53/03/882585303.db2.gz LDQHYZYPYHBFNH-HZPDHXFCSA-N 2 2 318.421 1.009 20 30 DDEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226686993 882585311 /nfs/dbraw/zinc/58/53/11/882585311.db2.gz LDQHYZYPYHBFNH-HZPDHXFCSA-N 2 2 318.421 1.009 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917796 872360400 /nfs/dbraw/zinc/36/04/00/872360400.db2.gz JTKPDIGDLQAGOU-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917796 872360424 /nfs/dbraw/zinc/36/04/24/872360424.db2.gz JTKPDIGDLQAGOU-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533703 872422404 /nfs/dbraw/zinc/42/24/04/872422404.db2.gz RDZIMOPZCTZZBA-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533703 872422412 /nfs/dbraw/zinc/42/24/12/872422412.db2.gz RDZIMOPZCTZZBA-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001207583593 873404055 /nfs/dbraw/zinc/40/40/55/873404055.db2.gz YCRUWRZYIAHNEQ-KURKYZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207583593 873404061 /nfs/dbraw/zinc/40/40/61/873404061.db2.gz YCRUWRZYIAHNEQ-KURKYZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001207583593 873404072 /nfs/dbraw/zinc/40/40/72/873404072.db2.gz YCRUWRZYIAHNEQ-KURKYZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001207583593 873404081 /nfs/dbraw/zinc/40/40/81/873404081.db2.gz YCRUWRZYIAHNEQ-KURKYZTESA-N 2 2 319.493 1.957 20 30 DDEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791131 877615443 /nfs/dbraw/zinc/61/54/43/877615443.db2.gz SWGUYKDJGUQHFC-GJZGRUSLSA-N 2 2 306.410 1.055 20 30 DDEDLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001380022397 878591888 /nfs/dbraw/zinc/59/18/88/878591888.db2.gz XBHJJZMIECZWJB-SJORKVTESA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001380022397 878591905 /nfs/dbraw/zinc/59/19/05/878591905.db2.gz XBHJJZMIECZWJB-SJORKVTESA-N 2 2 314.433 1.589 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230166910 884358836 /nfs/dbraw/zinc/35/88/36/884358836.db2.gz RXVQQXFCYJTIQF-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230628891 884668090 /nfs/dbraw/zinc/66/80/90/884668090.db2.gz KXTCKLZJDZWFAZ-MRXNPFEDSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230628891 884668097 /nfs/dbraw/zinc/66/80/97/884668097.db2.gz KXTCKLZJDZWFAZ-MRXNPFEDSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230628891 884668103 /nfs/dbraw/zinc/66/81/03/884668103.db2.gz KXTCKLZJDZWFAZ-MRXNPFEDSA-N 2 2 306.454 1.553 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230628891 884668107 /nfs/dbraw/zinc/66/81/07/884668107.db2.gz KXTCKLZJDZWFAZ-MRXNPFEDSA-N 2 2 306.454 1.553 20 30 DDEDLP N#CCCC[N@@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001277945124 888640201 /nfs/dbraw/zinc/64/02/01/888640201.db2.gz NHVIRMPFXWQFLR-QGZVFWFLSA-N 2 2 317.437 1.354 20 30 DDEDLP N#CCCC[N@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001277945124 888640211 /nfs/dbraw/zinc/64/02/11/888640211.db2.gz NHVIRMPFXWQFLR-QGZVFWFLSA-N 2 2 317.437 1.354 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCOC(C)C ZINC001235473304 888667286 /nfs/dbraw/zinc/66/72/86/888667286.db2.gz VHCDQMUUKCCVAU-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCOC(C)C ZINC001235473304 888667292 /nfs/dbraw/zinc/66/72/92/888667292.db2.gz VHCDQMUUKCCVAU-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCOC(C)C ZINC001235473304 888667298 /nfs/dbraw/zinc/66/72/98/888667298.db2.gz VHCDQMUUKCCVAU-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCOC(C)C ZINC001235473304 888667305 /nfs/dbraw/zinc/66/73/05/888667305.db2.gz VHCDQMUUKCCVAU-IRXDYDNUSA-N 2 2 321.465 1.042 20 30 DDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001390495868 899540360 /nfs/dbraw/zinc/54/03/60/899540360.db2.gz PUYNWOVXIVDXJA-JTQLQIEISA-N 2 2 303.391 1.180 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC001262556999 900242638 /nfs/dbraw/zinc/24/26/38/900242638.db2.gz KYIYMNVAKSBHLF-GOSISDBHSA-N 2 2 316.445 1.730 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265540134 902111916 /nfs/dbraw/zinc/11/19/16/902111916.db2.gz GWYYRJBFEDQPRH-OKILXGFUSA-N 2 2 300.406 1.022 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001265813420 902430776 /nfs/dbraw/zinc/43/07/76/902430776.db2.gz QMCIMOUIXUJKDL-ZBFHGGJFSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001265813420 902430786 /nfs/dbraw/zinc/43/07/86/902430786.db2.gz QMCIMOUIXUJKDL-ZBFHGGJFSA-N 2 2 309.454 1.300 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392143214 903379981 /nfs/dbraw/zinc/37/99/81/903379981.db2.gz RLPFBQMESMNMJJ-CQSZACIVSA-N 2 2 311.389 1.391 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281030808 904334500 /nfs/dbraw/zinc/33/45/00/904334500.db2.gz ATVBKWPQKOUKTM-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281030808 904334516 /nfs/dbraw/zinc/33/45/16/904334516.db2.gz ATVBKWPQKOUKTM-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571465 905046863 /nfs/dbraw/zinc/04/68/63/905046863.db2.gz JMLMXOGDNBRDSZ-UKRRQHHQSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571465 905046876 /nfs/dbraw/zinc/04/68/76/905046876.db2.gz JMLMXOGDNBRDSZ-UKRRQHHQSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571465 905046889 /nfs/dbraw/zinc/04/68/89/905046889.db2.gz JMLMXOGDNBRDSZ-UKRRQHHQSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571465 905046909 /nfs/dbraw/zinc/04/69/09/905046909.db2.gz JMLMXOGDNBRDSZ-UKRRQHHQSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001282015132 905409310 /nfs/dbraw/zinc/40/93/10/905409310.db2.gz DYMFAVDAXYUDKG-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP C[C@H](C#N)CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760051 352592840 /nfs/dbraw/zinc/59/28/40/352592840.db2.gz PLVQNXLIFFKIBP-CQSZACIVSA-N 2 2 321.469 1.346 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(O)CCOC3)CC2)cc1 ZINC000182073866 199383053 /nfs/dbraw/zinc/38/30/53/199383053.db2.gz RFGJPXZQOVNSPX-SFHVURJKSA-N 2 2 315.417 1.264 20 30 DDEDLP COc1ccc(C#N)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926376 353783013 /nfs/dbraw/zinc/78/30/13/353783013.db2.gz YOYOQXIPUHYLOG-UHFFFAOYSA-N 2 2 311.389 1.623 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000316606544 354504631 /nfs/dbraw/zinc/50/46/31/354504631.db2.gz NRCFNRHYAZTMNF-HIFRSBDPSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000316606544 354504633 /nfs/dbraw/zinc/50/46/33/354504633.db2.gz NRCFNRHYAZTMNF-HIFRSBDPSA-N 2 2 321.446 1.404 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579489611 354719793 /nfs/dbraw/zinc/71/97/93/354719793.db2.gz AUBVXBXICFVTSE-CKEIUWERSA-N 2 2 317.437 1.652 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579489611 354719794 /nfs/dbraw/zinc/71/97/94/354719794.db2.gz AUBVXBXICFVTSE-CKEIUWERSA-N 2 2 317.437 1.652 20 30 DDEDLP N#CC[C@@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000592154524 355519768 /nfs/dbraw/zinc/51/97/68/355519768.db2.gz SVHOVEHLIMVCSK-GOSISDBHSA-N 2 2 315.417 1.369 20 30 DDEDLP N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000592154524 355519771 /nfs/dbraw/zinc/51/97/71/355519771.db2.gz SVHOVEHLIMVCSK-GOSISDBHSA-N 2 2 315.417 1.369 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C#N)CCCCC1 ZINC000596860121 356998160 /nfs/dbraw/zinc/99/81/60/356998160.db2.gz UJTZATPOIGFXOC-UHFFFAOYSA-N 2 2 323.485 1.643 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C#N)CCCCC1 ZINC000596860121 356998163 /nfs/dbraw/zinc/99/81/63/356998163.db2.gz UJTZATPOIGFXOC-UHFFFAOYSA-N 2 2 323.485 1.643 20 30 DDEDLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599656475 358010627 /nfs/dbraw/zinc/01/06/27/358010627.db2.gz VTGRBYTZVRFDHA-XUWVNRHRSA-N 2 2 309.454 1.519 20 30 DDEDLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599656475 358010629 /nfs/dbraw/zinc/01/06/29/358010629.db2.gz VTGRBYTZVRFDHA-XUWVNRHRSA-N 2 2 309.454 1.519 20 30 DDEDLP Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(C#N)c[nH+]1 ZINC000603402178 359618308 /nfs/dbraw/zinc/61/83/08/359618308.db2.gz NYAROLIYPYUORC-AWEZNQCLSA-N 2 2 300.406 1.951 20 30 DDEDLP Cc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(C#N)c[nH+]1 ZINC000603402178 359618314 /nfs/dbraw/zinc/61/83/14/359618314.db2.gz NYAROLIYPYUORC-AWEZNQCLSA-N 2 2 300.406 1.951 20 30 DDEDLP N#Cc1csc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000610488734 360449609 /nfs/dbraw/zinc/44/96/09/360449609.db2.gz LGJQVPGYVSUQDG-HNNXBMFYSA-N 2 2 320.462 1.116 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000610992462 360593561 /nfs/dbraw/zinc/59/35/61/360593561.db2.gz HOIRSTRIVXCBEM-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264989227 204326697 /nfs/dbraw/zinc/32/66/97/204326697.db2.gz WQVZPMMRLADADA-KRWDZBQOSA-N 2 2 301.434 1.424 20 30 DDEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264989227 204326701 /nfs/dbraw/zinc/32/67/01/204326701.db2.gz WQVZPMMRLADADA-KRWDZBQOSA-N 2 2 301.434 1.424 20 30 DDEDLP Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000567892964 304252765 /nfs/dbraw/zinc/25/27/65/304252765.db2.gz YPTBYDOPZREQIN-LJQANCHMSA-N 2 2 322.412 1.733 20 30 DDEDLP Cc1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000567892964 304252766 /nfs/dbraw/zinc/25/27/66/304252766.db2.gz YPTBYDOPZREQIN-LJQANCHMSA-N 2 2 322.412 1.733 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431165018 533174070 /nfs/dbraw/zinc/17/40/70/533174070.db2.gz BALYVOVTTZYXGU-ZFWWWQNUSA-N 2 2 302.378 1.295 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431165018 533174075 /nfs/dbraw/zinc/17/40/75/533174075.db2.gz BALYVOVTTZYXGU-ZFWWWQNUSA-N 2 2 302.378 1.295 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123799553 407338755 /nfs/dbraw/zinc/33/87/55/407338755.db2.gz UODNMGDFCXFGSW-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123799553 407338757 /nfs/dbraw/zinc/33/87/57/407338757.db2.gz UODNMGDFCXFGSW-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799553 407338759 /nfs/dbraw/zinc/33/87/59/407338759.db2.gz UODNMGDFCXFGSW-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC[NH+]1C ZINC000123799553 407338760 /nfs/dbraw/zinc/33/87/60/407338760.db2.gz UODNMGDFCXFGSW-CZUORRHYSA-N 2 2 300.406 1.911 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131875303 407756511 /nfs/dbraw/zinc/75/65/11/407756511.db2.gz FWHADYNNRWREQQ-HOCLYGCPSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131875303 407756518 /nfs/dbraw/zinc/75/65/18/407756518.db2.gz FWHADYNNRWREQQ-HOCLYGCPSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173783825 407897578 /nfs/dbraw/zinc/89/75/78/407897578.db2.gz HELINMVRHCSRSK-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173783825 407897586 /nfs/dbraw/zinc/89/75/86/407897586.db2.gz HELINMVRHCSRSK-JKSUJKDBSA-N 2 2 308.470 1.658 20 30 DDEDLP C#CCCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269375715 408287381 /nfs/dbraw/zinc/28/73/81/408287381.db2.gz VQOCBPNCXFTKPK-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP C#CCCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269375715 408287386 /nfs/dbraw/zinc/28/73/86/408287386.db2.gz VQOCBPNCXFTKPK-UHFFFAOYSA-N 2 2 316.445 1.977 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000292888688 409045112 /nfs/dbraw/zinc/04/51/12/409045112.db2.gz VMRXTRUKNGLBRP-UHFFFAOYSA-N 2 2 305.451 1.397 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000292888688 409045115 /nfs/dbraw/zinc/04/51/15/409045115.db2.gz VMRXTRUKNGLBRP-UHFFFAOYSA-N 2 2 305.451 1.397 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000292888688 409045118 /nfs/dbraw/zinc/04/51/18/409045118.db2.gz VMRXTRUKNGLBRP-UHFFFAOYSA-N 2 2 305.451 1.397 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000292888688 409045121 /nfs/dbraw/zinc/04/51/21/409045121.db2.gz VMRXTRUKNGLBRP-UHFFFAOYSA-N 2 2 305.451 1.397 20 30 DDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000357554941 410101207 /nfs/dbraw/zinc/10/12/07/410101207.db2.gz SZPMRWBLRVDQNM-UHFFFAOYSA-N 2 2 303.406 1.574 20 30 DDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000357554941 410101215 /nfs/dbraw/zinc/10/12/15/410101215.db2.gz SZPMRWBLRVDQNM-UHFFFAOYSA-N 2 2 303.406 1.574 20 30 DDEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352801700 410681709 /nfs/dbraw/zinc/68/17/09/410681709.db2.gz SCAFONUKACJATH-CQSZACIVSA-N 2 2 315.339 1.979 20 30 DDEDLP C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329980882 287190301 /nfs/dbraw/zinc/19/03/01/287190301.db2.gz MERRQDNGSIVICS-GFCCVEGCSA-N 2 2 308.426 1.620 20 30 DDEDLP C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329980882 287190302 /nfs/dbraw/zinc/19/03/02/287190302.db2.gz MERRQDNGSIVICS-GFCCVEGCSA-N 2 2 308.426 1.620 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261977522 222266018 /nfs/dbraw/zinc/26/60/18/222266018.db2.gz GOSVQEIGQQSNCB-LBPRGKRZSA-N 2 2 308.451 1.142 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000261977522 222266020 /nfs/dbraw/zinc/26/60/20/222266020.db2.gz GOSVQEIGQQSNCB-LBPRGKRZSA-N 2 2 308.451 1.142 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264146027 222325033 /nfs/dbraw/zinc/32/50/33/222325033.db2.gz XWFJWARCJJKDIM-DLBZAZTESA-N 3 2 317.481 1.678 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264146027 222325036 /nfs/dbraw/zinc/32/50/36/222325036.db2.gz XWFJWARCJJKDIM-DLBZAZTESA-N 3 2 317.481 1.678 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267461378 222385190 /nfs/dbraw/zinc/38/51/90/222385190.db2.gz VEMVBPJQVOYKCQ-KGLIPLIRSA-N 2 2 303.410 1.597 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267461378 222385192 /nfs/dbraw/zinc/38/51/92/222385192.db2.gz VEMVBPJQVOYKCQ-KGLIPLIRSA-N 2 2 303.410 1.597 20 30 DDEDLP Cc1nnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000369270203 418730885 /nfs/dbraw/zinc/73/08/85/418730885.db2.gz ZOSOVBZGZAITJP-AWEZNQCLSA-N 2 2 314.437 1.546 20 30 DDEDLP Cc1nnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000369270203 418730886 /nfs/dbraw/zinc/73/08/86/418730886.db2.gz ZOSOVBZGZAITJP-AWEZNQCLSA-N 2 2 314.437 1.546 20 30 DDEDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000389252489 418749225 /nfs/dbraw/zinc/74/92/25/418749225.db2.gz MYHPRLUWLJSKRZ-HZPDHXFCSA-N 2 2 303.406 1.372 20 30 DDEDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000389252489 418749227 /nfs/dbraw/zinc/74/92/27/418749227.db2.gz MYHPRLUWLJSKRZ-HZPDHXFCSA-N 2 2 303.406 1.372 20 30 DDEDLP N#C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@]12C(=O)Nc1ccccc12 ZINC000378445614 418723533 /nfs/dbraw/zinc/72/35/33/418723533.db2.gz SZBTUPJFFNNICA-KSSFIOAISA-N 2 2 321.384 1.619 20 30 DDEDLP N#C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@]12C(=O)Nc1ccccc12 ZINC000378445614 418723534 /nfs/dbraw/zinc/72/35/34/418723534.db2.gz SZBTUPJFFNNICA-KSSFIOAISA-N 2 2 321.384 1.619 20 30 DDEDLP N#Cc1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422990266 227300669 /nfs/dbraw/zinc/30/06/69/227300669.db2.gz NBFLVKIZJBUFMS-IAGOWNOFSA-N 2 2 301.390 1.294 20 30 DDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3(C#N)CCC3)CC2)CC1 ZINC000450561524 421210195 /nfs/dbraw/zinc/21/01/95/421210195.db2.gz UPJDJDRONAWOKN-UHFFFAOYSA-N 2 2 318.465 1.556 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562991575 421436723 /nfs/dbraw/zinc/43/67/23/421436723.db2.gz PYJXXGUPBLBBKE-RPVQJOFSSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562991575 421436724 /nfs/dbraw/zinc/43/67/24/421436724.db2.gz PYJXXGUPBLBBKE-RPVQJOFSSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000530334787 421594358 /nfs/dbraw/zinc/59/43/58/421594358.db2.gz WQLDPYPYUCUWPO-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000530334787 421594359 /nfs/dbraw/zinc/59/43/59/421594359.db2.gz WQLDPYPYUCUWPO-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000530334787 421594361 /nfs/dbraw/zinc/59/43/61/421594361.db2.gz WQLDPYPYUCUWPO-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000530334787 421594362 /nfs/dbraw/zinc/59/43/62/421594362.db2.gz WQLDPYPYUCUWPO-CABCVRRESA-N 2 2 306.454 1.744 20 30 DDEDLP C[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000519590313 421703830 /nfs/dbraw/zinc/70/38/30/421703830.db2.gz HBLVZYLSSQWFDH-CVEARBPZSA-N 2 2 315.421 1.316 20 30 DDEDLP C[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000519590313 421703833 /nfs/dbraw/zinc/70/38/33/421703833.db2.gz HBLVZYLSSQWFDH-CVEARBPZSA-N 2 2 315.421 1.316 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153683 424440431 /nfs/dbraw/zinc/44/04/31/424440431.db2.gz CCBOUZCMGGSFNA-NVXWUHKLSA-N 2 2 323.481 1.331 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153683 424440437 /nfs/dbraw/zinc/44/04/37/424440437.db2.gz CCBOUZCMGGSFNA-NVXWUHKLSA-N 2 2 323.481 1.331 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000530232638 268299231 /nfs/dbraw/zinc/29/92/31/268299231.db2.gz AUBPVCZCXFFRCI-KBPBESRZSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000530232638 268299234 /nfs/dbraw/zinc/29/92/34/268299234.db2.gz AUBPVCZCXFFRCI-KBPBESRZSA-N 2 2 312.373 1.168 20 30 DDEDLP COCC[NH+](CCOC)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339194412 277216586 /nfs/dbraw/zinc/21/65/86/277216586.db2.gz NCEPHACQLKTQQE-WBVHZDCISA-N 2 2 309.454 1.738 20 30 DDEDLP 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317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989825709 698783840 /nfs/dbraw/zinc/78/38/40/698783840.db2.gz JPVCKXWFAVQTTD-ZFWWWQNUSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC000991390704 699312453 /nfs/dbraw/zinc/31/24/53/699312453.db2.gz VBULXVXWGCXEFG-SJLPKXTDSA-N 2 2 308.385 1.923 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC000991390704 699312457 /nfs/dbraw/zinc/31/24/57/699312457.db2.gz VBULXVXWGCXEFG-SJLPKXTDSA-N 2 2 308.385 1.923 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991468675 699331094 /nfs/dbraw/zinc/33/10/94/699331094.db2.gz COZQCWIHUAKHHA-RLFYNMQTSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991468675 699331099 /nfs/dbraw/zinc/33/10/99/699331099.db2.gz COZQCWIHUAKHHA-RLFYNMQTSA-N 2 2 312.417 1.192 20 30 DDEDLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866219820 706652401 /nfs/dbraw/zinc/65/24/01/706652401.db2.gz YUGUIWPVYYPPGC-AWEZNQCLSA-N 2 2 302.422 1.552 20 30 DDEDLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866260586 706660168 /nfs/dbraw/zinc/66/01/68/706660168.db2.gz VPJHJPWKVBESKK-LSDHHAIUSA-N 2 2 316.449 1.798 20 30 DDEDLP CC(=NNCCCn1cc[nH+]c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000848416542 703548016 /nfs/dbraw/zinc/54/80/16/703548016.db2.gz OTTMBXBSLUULSN-UHFFFAOYSA-N 2 2 311.433 1.975 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000863575209 705962211 /nfs/dbraw/zinc/96/22/11/705962211.db2.gz GTYNSWSTEURIOD-UHFFFAOYSA-N 2 2 303.410 1.049 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480660 707064140 /nfs/dbraw/zinc/06/41/40/707064140.db2.gz ULUTUORNLLYCPN-VNQPRFMTSA-N 2 2 316.380 1.018 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480660 707064143 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ZINC001088849328 744208721 /nfs/dbraw/zinc/20/87/21/744208721.db2.gz NBIHSLHNBVXDAU-RDBSUJKOSA-N 2 2 302.422 1.985 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586438 744253960 /nfs/dbraw/zinc/25/39/60/744253960.db2.gz MPHHKYBCGIBNFW-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009742 745403150 /nfs/dbraw/zinc/40/31/50/745403150.db2.gz IGMBODJRVZRFJW-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009742 745403152 /nfs/dbraw/zinc/40/31/52/745403152.db2.gz IGMBODJRVZRFJW-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498859 745752277 /nfs/dbraw/zinc/75/22/77/745752277.db2.gz TZEJRWVHYUMWOC-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994081254 746445165 /nfs/dbraw/zinc/44/51/65/746445165.db2.gz PIPVHQXJVVHZSU-DLBZAZTESA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994081254 746445170 /nfs/dbraw/zinc/44/51/70/746445170.db2.gz PIPVHQXJVVHZSU-DLBZAZTESA-N 2 2 305.466 1.711 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203240846 746745381 /nfs/dbraw/zinc/74/53/81/746745381.db2.gz PNBNNQDQYRDZQM-GJZGRUSLSA-N 2 2 302.422 1.866 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001003191052 747032009 /nfs/dbraw/zinc/03/20/09/747032009.db2.gz ULZNLSQMGAGQOG-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001036082191 752173795 /nfs/dbraw/zinc/17/37/95/752173795.db2.gz GASOQSSWTWAJOR-ZFWWWQNUSA-N 2 2 303.406 1.645 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001036115037 752185154 /nfs/dbraw/zinc/18/51/54/752185154.db2.gz JUSBCDKZYHUSEW-TZMCWYRMSA-N 2 2 324.856 1.932 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007518512 752185561 /nfs/dbraw/zinc/18/55/61/752185561.db2.gz CFSOKDZWSQRULA-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007518512 752185565 /nfs/dbraw/zinc/18/55/65/752185565.db2.gz CFSOKDZWSQRULA-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007518512 752185569 /nfs/dbraw/zinc/18/55/69/752185569.db2.gz CFSOKDZWSQRULA-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007518512 752185573 /nfs/dbraw/zinc/18/55/73/752185573.db2.gz CFSOKDZWSQRULA-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657279 747601513 /nfs/dbraw/zinc/60/15/13/747601513.db2.gz BWSHSUXLEGKEKB-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657279 747601516 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DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089870025 748497340 /nfs/dbraw/zinc/49/73/40/748497340.db2.gz PMGGSFFGPDNHEM-ORQFMDKSSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007708685 752287485 /nfs/dbraw/zinc/28/74/85/752287485.db2.gz WPZVVXLAHFWRGN-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007708685 752287489 /nfs/dbraw/zinc/28/74/89/752287489.db2.gz WPZVVXLAHFWRGN-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201945107 748648903 /nfs/dbraw/zinc/64/89/03/748648903.db2.gz PONJIGFPKNOLBQ-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217623 748715146 /nfs/dbraw/zinc/71/51/46/748715146.db2.gz QZODLCBUEBOIGJ-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP N#Cc1ccccc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032129913 748718539 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UTLLANCFCQIATO-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203914 748923382 /nfs/dbraw/zinc/92/33/82/748923382.db2.gz UTLLANCFCQIATO-GOEBONIOSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445084 749219143 /nfs/dbraw/zinc/21/91/43/749219143.db2.gz JFXGYBSHVRERPR-VVLHAWIVSA-N 2 2 314.433 1.540 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445084 749219147 /nfs/dbraw/zinc/21/91/47/749219147.db2.gz JFXGYBSHVRERPR-VVLHAWIVSA-N 2 2 314.433 1.540 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414547 749310909 /nfs/dbraw/zinc/31/09/09/749310909.db2.gz CPSBLXOGNJHDTK-CVEARBPZSA-N 2 2 314.433 1.310 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033414547 749310916 /nfs/dbraw/zinc/31/09/16/749310916.db2.gz CPSBLXOGNJHDTK-CVEARBPZSA-N 2 2 314.433 1.310 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995968797 749318297 /nfs/dbraw/zinc/31/82/97/749318297.db2.gz ALADHOICCWSEKF-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033457632 749381175 /nfs/dbraw/zinc/38/11/75/749381175.db2.gz KUEHWGQETKASQZ-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033457632 749381181 /nfs/dbraw/zinc/38/11/81/749381181.db2.gz KUEHWGQETKASQZ-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996504713 749626101 /nfs/dbraw/zinc/62/61/01/749626101.db2.gz FJNXMSBKZNPAKU-INIZCTEOSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001000605435 761989660 /nfs/dbraw/zinc/98/96/60/761989660.db2.gz WOERHHURWLJHDW-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033854974 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C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045945363 766728685 /nfs/dbraw/zinc/72/86/85/766728685.db2.gz VBHTUUHOOXIIMF-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025704 768562675 /nfs/dbraw/zinc/56/26/75/768562675.db2.gz UBEJBRHOUVUIRX-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025704 768562679 /nfs/dbraw/zinc/56/26/79/768562679.db2.gz UBEJBRHOUVUIRX-LSDHHAIUSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194229 769577067 /nfs/dbraw/zinc/57/70/67/769577067.db2.gz BCFVEVKVBMGLNH-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133269621 769653977 /nfs/dbraw/zinc/65/39/77/769653977.db2.gz ABMKVWOYNRDOHP-DZGCQCFKSA-N 2 2 302.422 1.358 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364576 769749167 /nfs/dbraw/zinc/74/91/67/769749167.db2.gz YOCCOEWSDIROCT-DLBZAZTESA-N 2 2 316.449 1.761 20 30 DDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134049941 770599270 /nfs/dbraw/zinc/59/92/70/770599270.db2.gz VVMPUKSKBYVXJR-IAGOWNOFSA-N 2 2 322.412 1.281 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845901 771203756 /nfs/dbraw/zinc/20/37/56/771203756.db2.gz CDHHHGKXWPWQAU-GJZGRUSLSA-N 2 2 314.433 1.776 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845901 771203757 /nfs/dbraw/zinc/20/37/57/771203757.db2.gz CDHHHGKXWPWQAU-GJZGRUSLSA-N 2 2 314.433 1.776 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868494 771219728 /nfs/dbraw/zinc/21/97/28/771219728.db2.gz UNWYYMGBVOEBTC-CVEARBPZSA-N 2 2 300.406 1.349 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049868494 771219731 /nfs/dbraw/zinc/21/97/31/771219731.db2.gz UNWYYMGBVOEBTC-CVEARBPZSA-N 2 2 300.406 1.349 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086800020 771762628 /nfs/dbraw/zinc/76/26/28/771762628.db2.gz QLDJTKIBYMAGRP-MJBXVCDLSA-N 2 2 302.422 1.890 20 30 DDEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605365 773532560 /nfs/dbraw/zinc/53/25/60/773532560.db2.gz PMLBCDOHIFTRES-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605365 773532562 /nfs/dbraw/zinc/53/25/62/773532562.db2.gz PMLBCDOHIFTRES-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734404 774427780 /nfs/dbraw/zinc/42/77/80/774427780.db2.gz RAMZCXNFQCCGSC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734404 774427781 /nfs/dbraw/zinc/42/77/81/774427781.db2.gz RAMZCXNFQCCGSC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734404 774427786 /nfs/dbraw/zinc/42/77/86/774427786.db2.gz RAMZCXNFQCCGSC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734404 774427788 /nfs/dbraw/zinc/42/77/88/774427788.db2.gz RAMZCXNFQCCGSC-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748604 774470417 /nfs/dbraw/zinc/47/04/17/774470417.db2.gz IHKXVEPZXNOMIH-HOTGVXAUSA-N 2 2 314.433 1.483 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC[C@@H]21 ZINC001036748604 774470420 /nfs/dbraw/zinc/47/04/20/774470420.db2.gz IHKXVEPZXNOMIH-HOTGVXAUSA-N 2 2 314.433 1.483 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001099312704 774941156 /nfs/dbraw/zinc/94/11/56/774941156.db2.gz CWOFRXNXCGQMFZ-VXGBXAGGSA-N 2 2 316.327 1.507 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359029 774963599 /nfs/dbraw/zinc/96/35/99/774963599.db2.gz LXCAVWMLKGPPNX-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359029 774963604 /nfs/dbraw/zinc/96/36/04/774963604.db2.gz LXCAVWMLKGPPNX-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001100347766 776032968 /nfs/dbraw/zinc/03/29/68/776032968.db2.gz NQOXFMUEZUQUOB-UHFFFAOYSA-N 2 2 314.433 1.270 20 30 DDEDLP C=C(C)C[N@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355545 776052732 /nfs/dbraw/zinc/05/27/32/776052732.db2.gz UWGSPDJMFIVBQN-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355545 776052736 /nfs/dbraw/zinc/05/27/36/776052736.db2.gz UWGSPDJMFIVBQN-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2CC(CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001101070698 776877845 /nfs/dbraw/zinc/87/78/45/776877845.db2.gz YVSSTTQLOOPZLN-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101429965 777134978 /nfs/dbraw/zinc/13/49/78/777134978.db2.gz IOEYKBSRUJBRKT-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101429965 777134985 /nfs/dbraw/zinc/13/49/85/777134985.db2.gz IOEYKBSRUJBRKT-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584843 777276294 /nfs/dbraw/zinc/27/62/94/777276294.db2.gz WQHDXRQVTRTZKE-UHFFFAOYSA-N 2 2 316.449 1.830 20 30 DDEDLP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598457 777289923 /nfs/dbraw/zinc/28/99/23/777289923.db2.gz NSOFKQMVWWPGJU-UHFFFAOYSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926650 778492192 /nfs/dbraw/zinc/49/21/92/778492192.db2.gz NXDNGZHXIFXUSL-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926650 778492195 /nfs/dbraw/zinc/49/21/95/778492195.db2.gz NXDNGZHXIFXUSL-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001177401911 778579680 /nfs/dbraw/zinc/57/96/80/778579680.db2.gz XXINLJCCQGFHEX-UHFFFAOYSA-N 2 2 303.391 1.112 20 30 DDEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448332 778593063 /nfs/dbraw/zinc/59/30/63/778593063.db2.gz JXFFOWXLGVGFBI-UHFFFAOYSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479105 778888355 /nfs/dbraw/zinc/88/83/55/778888355.db2.gz GOPPDXBGXOIOIS-BZUAXINKSA-N 2 2 302.422 1.542 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479105 778888361 /nfs/dbraw/zinc/88/83/61/778888361.db2.gz GOPPDXBGXOIOIS-BZUAXINKSA-N 2 2 302.422 1.542 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517649 778918632 /nfs/dbraw/zinc/91/86/32/778918632.db2.gz WJKWFWSVMBMHKU-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517649 778918636 /nfs/dbraw/zinc/91/86/36/778918636.db2.gz WJKWFWSVMBMHKU-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517649 778918641 /nfs/dbraw/zinc/91/86/41/778918641.db2.gz WJKWFWSVMBMHKU-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517649 778918647 /nfs/dbraw/zinc/91/86/47/778918647.db2.gz WJKWFWSVMBMHKU-ARFHVFGLSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811727 779181053 /nfs/dbraw/zinc/18/10/53/779181053.db2.gz ZYFFHVAYDQQJKT-UHFFFAOYSA-N 2 2 317.433 1.922 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180451465 779786796 /nfs/dbraw/zinc/78/67/96/779786796.db2.gz BQZRSUXCCXKSEG-UHFFFAOYSA-N 2 2 304.438 1.953 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001119317949 781402510 /nfs/dbraw/zinc/40/25/10/781402510.db2.gz OSAZHYPDAMJKHN-JKSUJKDBSA-N 2 2 311.389 1.762 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409163 836218821 /nfs/dbraw/zinc/21/88/21/836218821.db2.gz DVSQWIXOWHNBNK-HOTGVXAUSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409163 836218828 /nfs/dbraw/zinc/21/88/28/836218828.db2.gz DVSQWIXOWHNBNK-HOTGVXAUSA-N 2 2 317.437 1.460 20 30 DDEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266695002 836682765 /nfs/dbraw/zinc/68/27/65/836682765.db2.gz HWBLNTMIGXLMLX-OKILXGFUSA-N 2 2 312.373 1.063 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266751580 836779613 /nfs/dbraw/zinc/77/96/13/836779613.db2.gz HYGLXOQIFVIHIZ-HNNXBMFYSA-N 2 2 304.438 1.941 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266751580 836779619 /nfs/dbraw/zinc/77/96/19/836779619.db2.gz HYGLXOQIFVIHIZ-HNNXBMFYSA-N 2 2 304.438 1.941 20 30 DDEDLP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001267381787 837957945 /nfs/dbraw/zinc/95/79/45/837957945.db2.gz HRNNEXZQJMLORJ-UHFFFAOYSA-N 2 2 311.389 1.462 20 30 DDEDLP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001267381787 837957946 /nfs/dbraw/zinc/95/79/46/837957946.db2.gz HRNNEXZQJMLORJ-UHFFFAOYSA-N 2 2 311.389 1.462 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460713 838464654 /nfs/dbraw/zinc/46/46/54/838464654.db2.gz LJQRDOXERBTPHC-UONOGXRCSA-N 2 2 318.421 1.200 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267958366 839268623 /nfs/dbraw/zinc/26/86/23/839268623.db2.gz JYAGTKWBFKWLIG-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083097 841186697 /nfs/dbraw/zinc/18/66/97/841186697.db2.gz AJBYRXDPCTWXDC-JKSUJKDBSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408388 841611300 /nfs/dbraw/zinc/61/13/00/841611300.db2.gz OHTDFUHKLWZYFT-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408388 841611304 /nfs/dbraw/zinc/61/13/04/841611304.db2.gz OHTDFUHKLWZYFT-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001269806276 842063881 /nfs/dbraw/zinc/06/38/81/842063881.db2.gz ZQLAABBKGKNUEZ-HNNXBMFYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001269806276 842063888 /nfs/dbraw/zinc/06/38/88/842063888.db2.gz ZQLAABBKGKNUEZ-HNNXBMFYSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001269973522 842195211 /nfs/dbraw/zinc/19/52/11/842195211.db2.gz ULHSTKKNJOLALY-KGLIPLIRSA-N 2 2 306.410 1.124 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034250874 848168070 /nfs/dbraw/zinc/16/80/70/848168070.db2.gz XWVNUKZZTFKSKO-OCLYVHKGSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC001034250874 848168072 /nfs/dbraw/zinc/16/80/72/848168072.db2.gz XWVNUKZZTFKSKO-OCLYVHKGSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C/C=C\Cl)C1 ZINC001034250874 848168075 /nfs/dbraw/zinc/16/80/75/848168075.db2.gz XWVNUKZZTFKSKO-OCLYVHKGSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C/C=C\Cl)C1 ZINC001034250874 848168078 /nfs/dbraw/zinc/16/80/78/848168078.db2.gz XWVNUKZZTFKSKO-OCLYVHKGSA-N 2 2 323.868 1.807 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274416 848223395 /nfs/dbraw/zinc/22/33/95/848223395.db2.gz CTIDMWRDFJDIBQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274416 848223403 /nfs/dbraw/zinc/22/34/03/848223403.db2.gz CTIDMWRDFJDIBQ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273487100 851017828 /nfs/dbraw/zinc/01/78/28/851017828.db2.gz CXRYYIKJQOIAJB-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273487100 851017832 /nfs/dbraw/zinc/01/78/32/851017832.db2.gz CXRYYIKJQOIAJB-QGZVFWFLSA-N 2 2 318.421 1.153 20 30 DDEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379359 862203800 /nfs/dbraw/zinc/20/38/00/862203800.db2.gz DBUOXFWYXUNMOS-CVEARBPZSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379359 862203815 /nfs/dbraw/zinc/20/38/15/862203815.db2.gz DBUOXFWYXUNMOS-CVEARBPZSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155564061 862230827 /nfs/dbraw/zinc/23/08/27/862230827.db2.gz OSEDLVBTGQYARS-MRXNPFEDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155564061 862230844 /nfs/dbraw/zinc/23/08/44/862230844.db2.gz OSEDLVBTGQYARS-MRXNPFEDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274217789 852045002 /nfs/dbraw/zinc/04/50/02/852045002.db2.gz IAHPYVFVCXBJEA-DZGCQCFKSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001274351471 852179912 /nfs/dbraw/zinc/17/99/12/852179912.db2.gz QZYLHFKSEUGHSR-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H](C1)O2 ZINC001275828621 853828729 /nfs/dbraw/zinc/82/87/29/853828729.db2.gz DBJXPGOMYPGJLD-HDICACEKSA-N 2 2 314.433 1.005 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H](C1)O2 ZINC001275828621 853828734 /nfs/dbraw/zinc/82/87/34/853828734.db2.gz DBJXPGOMYPGJLD-HDICACEKSA-N 2 2 314.433 1.005 20 30 DDEDLP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275865061 853884919 /nfs/dbraw/zinc/88/49/19/853884919.db2.gz DMVABBGJFBYVGZ-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275865061 853884924 /nfs/dbraw/zinc/88/49/24/853884924.db2.gz DMVABBGJFBYVGZ-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001329255976 863564287 /nfs/dbraw/zinc/56/42/87/863564287.db2.gz SWZYKPCNQMWFBL-UQPPLGOBSA-N 2 2 316.449 1.971 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001329255976 863564299 /nfs/dbraw/zinc/56/42/99/863564299.db2.gz SWZYKPCNQMWFBL-UQPPLGOBSA-N 2 2 316.449 1.971 20 30 DDEDLP N#Cc1ccc2ncnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158259088 864522046 /nfs/dbraw/zinc/52/20/46/864522046.db2.gz NMEWBEVIFZPYNC-CQSZACIVSA-N 2 2 322.416 1.503 20 30 DDEDLP N#Cc1ccc2ncnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158259088 864522058 /nfs/dbraw/zinc/52/20/58/864522058.db2.gz NMEWBEVIFZPYNC-CQSZACIVSA-N 2 2 322.416 1.503 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(COC)cc[nH+]1 ZINC001159921235 865595168 /nfs/dbraw/zinc/59/51/68/865595168.db2.gz KNOVBHQHCFSSPV-AWEZNQCLSA-N 2 2 307.394 1.867 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001323077044 866319107 /nfs/dbraw/zinc/31/91/07/866319107.db2.gz LSBCQLZBRCDXTB-KFWWJZLASA-N 2 2 302.422 1.584 20 30 DDEDLP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001319862896 866352666 /nfs/dbraw/zinc/35/26/66/866352666.db2.gz HZCQUCFADCUJHZ-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320049738 866446344 /nfs/dbraw/zinc/44/63/44/866446344.db2.gz QCYCMLOXJXLXCX-HUUCEWRRSA-N 2 2 304.438 1.880 20 30 DDEDLP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320049738 866446349 /nfs/dbraw/zinc/44/63/49/866446349.db2.gz QCYCMLOXJXLXCX-HUUCEWRRSA-N 2 2 304.438 1.880 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001323468060 866629322 /nfs/dbraw/zinc/62/93/22/866629322.db2.gz KYFPTUUCKAWLGB-OAHLLOKOSA-N 2 2 302.422 1.732 20 30 DDEDLP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217748 868055460 /nfs/dbraw/zinc/05/54/60/868055460.db2.gz GUCHRBXXFUPGDO-KRWDZBQOSA-N 2 2 324.428 1.761 20 30 DDEDLP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217748 868055469 /nfs/dbraw/zinc/05/54/69/868055469.db2.gz GUCHRBXXFUPGDO-KRWDZBQOSA-N 2 2 324.428 1.761 20 30 DDEDLP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322701501 868334984 /nfs/dbraw/zinc/33/49/84/868334984.db2.gz ZQJJHODDFOSFFC-CHWSQXEVSA-N 2 2 310.829 1.714 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165372833 869551084 /nfs/dbraw/zinc/55/10/84/869551084.db2.gz AQJQCKKUOZAOIQ-UHFFFAOYSA-N 2 2 310.829 1.971 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165372833 869551088 /nfs/dbraw/zinc/55/10/88/869551088.db2.gz AQJQCKKUOZAOIQ-UHFFFAOYSA-N 2 2 310.829 1.971 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711265 869689265 /nfs/dbraw/zinc/68/92/65/869689265.db2.gz KZDUCFOEZUYYDP-UHFFFAOYSA-N 2 2 303.406 1.695 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165855941 869738545 /nfs/dbraw/zinc/73/85/45/869738545.db2.gz CGAABVNJAYUDDI-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203676818 870706566 /nfs/dbraw/zinc/70/65/66/870706566.db2.gz HMZVBJMGQNGRCH-HZPDHXFCSA-N 2 2 314.433 1.393 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC001204574918 871154322 /nfs/dbraw/zinc/15/43/22/871154322.db2.gz NILQVUJHTAZGMI-UHFFFAOYSA-N 2 2 317.481 1.520 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001318469302 872090298 /nfs/dbraw/zinc/09/02/98/872090298.db2.gz DHRBBXGVDREYCI-HOTGVXAUSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001318469302 872090322 /nfs/dbraw/zinc/09/03/22/872090322.db2.gz DHRBBXGVDREYCI-HOTGVXAUSA-N 2 2 316.449 1.953 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001318637842 872181134 /nfs/dbraw/zinc/18/11/34/872181134.db2.gz YTVDAPDAEQFBNU-ZIAGYGMSSA-N 2 2 300.406 1.555 20 30 DDEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001318637842 872181145 /nfs/dbraw/zinc/18/11/45/872181145.db2.gz YTVDAPDAEQFBNU-ZIAGYGMSSA-N 2 2 300.406 1.555 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001381752550 882597554 /nfs/dbraw/zinc/59/75/54/882597554.db2.gz WSDZEXIRIRILFA-KBPBESRZSA-N 2 2 317.861 1.334 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001381752550 882597561 /nfs/dbraw/zinc/59/75/61/882597561.db2.gz WSDZEXIRIRILFA-KBPBESRZSA-N 2 2 317.861 1.334 20 30 DDEDLP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001318958747 872368915 /nfs/dbraw/zinc/36/89/15/872368915.db2.gz IAUSYEBGPZXAFU-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001318958747 872368932 /nfs/dbraw/zinc/36/89/32/872368932.db2.gz IAUSYEBGPZXAFU-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP C#CCC[NH+]1CCC(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001319020508 872401809 /nfs/dbraw/zinc/40/18/09/872401809.db2.gz FCYPFKUDZFVEGT-UHFFFAOYSA-N 2 2 302.422 1.584 20 30 DDEDLP C#CCC[NH+]1CCC(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001319020508 872401821 /nfs/dbraw/zinc/40/18/21/872401821.db2.gz FCYPFKUDZFVEGT-UHFFFAOYSA-N 2 2 302.422 1.584 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659692 873451145 /nfs/dbraw/zinc/45/11/45/873451145.db2.gz IOSFBRFEQSJRQP-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659692 873451150 /nfs/dbraw/zinc/45/11/50/873451150.db2.gz IOSFBRFEQSJRQP-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210669523 875482483 /nfs/dbraw/zinc/48/24/83/875482483.db2.gz YCTFTJRCZQYBCL-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899620 875589053 /nfs/dbraw/zinc/58/90/53/875589053.db2.gz MNRBXDRTVLCFGG-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCC1(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CCCCC1 ZINC001353466897 877354383 /nfs/dbraw/zinc/35/43/83/877354383.db2.gz IUQFRZQRQNRDNF-UHFFFAOYSA-N 2 2 308.470 1.988 20 30 DDEDLP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001379608159 877505061 /nfs/dbraw/zinc/50/50/61/877505061.db2.gz VTEQZYZHEHWQBP-LBPRGKRZSA-N 2 2 315.352 1.188 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001357150864 879819437 /nfs/dbraw/zinc/81/94/37/879819437.db2.gz LNUVFVMGFKHMFY-UHFFFAOYSA-N 2 2 319.836 1.597 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001357150864 879819447 /nfs/dbraw/zinc/81/94/47/879819447.db2.gz LNUVFVMGFKHMFY-UHFFFAOYSA-N 2 2 319.836 1.597 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001276875406 880882499 /nfs/dbraw/zinc/88/24/99/880882499.db2.gz MVTKBMQWHRUPPW-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001276875406 880882519 /nfs/dbraw/zinc/88/25/19/880882519.db2.gz MVTKBMQWHRUPPW-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001231616352 885763117 /nfs/dbraw/zinc/76/31/17/885763117.db2.gz AOQBWSXOVPQZOI-UHFFFAOYSA-N 2 2 302.422 1.246 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435458 887965529 /nfs/dbraw/zinc/96/55/29/887965529.db2.gz IEOFMIKMJINRAT-MRXNPFEDSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435458 887965537 /nfs/dbraw/zinc/96/55/37/887965537.db2.gz IEOFMIKMJINRAT-MRXNPFEDSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435457 887967181 /nfs/dbraw/zinc/96/71/81/887967181.db2.gz IEOFMIKMJINRAT-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435457 887967195 /nfs/dbraw/zinc/96/71/95/887967195.db2.gz IEOFMIKMJINRAT-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001235002708 888325833 /nfs/dbraw/zinc/32/58/33/888325833.db2.gz DLALACIYACTFGR-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001235002708 888325844 /nfs/dbraw/zinc/32/58/44/888325844.db2.gz DLALACIYACTFGR-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001235002708 888325862 /nfs/dbraw/zinc/32/58/62/888325862.db2.gz DLALACIYACTFGR-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001235002708 888325879 /nfs/dbraw/zinc/32/58/79/888325879.db2.gz DLALACIYACTFGR-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCOC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001251893579 894872442 /nfs/dbraw/zinc/87/24/42/894872442.db2.gz GVSPZXLOSSMEQP-RBUKOAKNSA-N 2 2 316.445 1.294 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001262569229 900252009 /nfs/dbraw/zinc/25/20/09/900252009.db2.gz SNFYQIMQHMFNTP-GOSISDBHSA-N 2 2 302.418 1.251 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266146222 903021149 /nfs/dbraw/zinc/02/11/49/903021149.db2.gz KTWJXBPBTGISKV-BBRMVZONSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266146222 903021171 /nfs/dbraw/zinc/02/11/71/903021171.db2.gz KTWJXBPBTGISKV-BBRMVZONSA-N 2 2 317.437 1.298 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280621314 903849457 /nfs/dbraw/zinc/84/94/57/903849457.db2.gz QMYKGFAKBSUPCP-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282158067 905587271 /nfs/dbraw/zinc/58/72/71/905587271.db2.gz WKDOVDAWVJFBQX-ZIAGYGMSSA-N 2 2 314.389 1.081 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001282738812 906002861 /nfs/dbraw/zinc/00/28/61/906002861.db2.gz HZEXXKVVMMTNSZ-CQSZACIVSA-N 2 2 302.422 1.432 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001284311993 908813550 /nfs/dbraw/zinc/81/35/50/908813550.db2.gz ZRXJCRIAAAGQJM-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375359245 915709260 /nfs/dbraw/zinc/70/92/60/915709260.db2.gz BDNPMMPHJAZEEK-WFASDCNBSA-N 2 2 320.462 1.650 20 30 DDEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375359245 915709273 /nfs/dbraw/zinc/70/92/73/915709273.db2.gz BDNPMMPHJAZEEK-WFASDCNBSA-N 2 2 320.462 1.650 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001377261234 920819522 /nfs/dbraw/zinc/81/95/22/920819522.db2.gz OANBKPSJUGVSKL-UHFFFAOYSA-N 2 2 317.418 1.373 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001377261234 920819538 /nfs/dbraw/zinc/81/95/38/920819538.db2.gz OANBKPSJUGVSKL-UHFFFAOYSA-N 2 2 317.418 1.373 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000163273201 539224029 /nfs/dbraw/zinc/22/40/29/539224029.db2.gz PEALXRKXVLRXPN-CQSZACIVSA-N 2 2 316.449 1.980 20 30 DDEDLP Cn1c[nH+]cc1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000329689909 223013785 /nfs/dbraw/zinc/01/37/85/223013785.db2.gz ZHVCLJLTYGHIBI-UHFFFAOYSA-N 2 2 305.426 1.784 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000600733514 358300333 /nfs/dbraw/zinc/30/03/33/358300333.db2.gz JYJFEECHJAQPLZ-IAGOWNOFSA-N 2 2 321.465 1.664 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CCOCC1 ZINC000600733514 358300338 /nfs/dbraw/zinc/30/03/38/358300338.db2.gz JYJFEECHJAQPLZ-IAGOWNOFSA-N 2 2 321.465 1.664 20 30 DDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602334402 358935618 /nfs/dbraw/zinc/93/56/18/358935618.db2.gz RFWZNAJCPJDGRT-SJLPKXTDSA-N 2 2 314.433 1.469 20 30 DDEDLP CN(Cc1cccc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602654575 359102305 /nfs/dbraw/zinc/10/23/05/359102305.db2.gz DBHSCSAEVUJADW-GOSISDBHSA-N 2 2 313.449 1.554 20 30 DDEDLP CN(Cc1cccc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602654575 359102310 /nfs/dbraw/zinc/10/23/10/359102310.db2.gz DBHSCSAEVUJADW-GOSISDBHSA-N 2 2 313.449 1.554 20 30 DDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000187074609 200057810 /nfs/dbraw/zinc/05/78/10/200057810.db2.gz OJKRSGHLEWJBKM-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000618566818 363676526 /nfs/dbraw/zinc/67/65/26/363676526.db2.gz GYYAOXJLUDNWPO-MRXNPFEDSA-N 2 2 300.406 1.373 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958904 209340779 /nfs/dbraw/zinc/34/07/79/209340779.db2.gz QPTRFMAWMCLHNZ-BLLLJJGKSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)c(F)c1 ZINC000271958904 209340783 /nfs/dbraw/zinc/34/07/83/209340783.db2.gz QPTRFMAWMCLHNZ-BLLLJJGKSA-N 2 2 318.396 1.688 20 30 DDEDLP C=CCCO[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797380 407133203 /nfs/dbraw/zinc/13/32/03/407133203.db2.gz ORSJLCAPJTYXNY-OAHLLOKOSA-N 2 2 323.481 1.642 20 30 DDEDLP COCC[N@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123282233 407324318 /nfs/dbraw/zinc/32/43/18/407324318.db2.gz POBDEBROFKDCBW-UHFFFAOYSA-N 2 2 301.394 1.264 20 30 DDEDLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123282233 407324319 /nfs/dbraw/zinc/32/43/19/407324319.db2.gz POBDEBROFKDCBW-UHFFFAOYSA-N 2 2 301.394 1.264 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000170914968 407555685 /nfs/dbraw/zinc/55/56/85/407555685.db2.gz PIDYSRCSXYZUAO-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000170914968 407555693 /nfs/dbraw/zinc/55/56/93/407555693.db2.gz PIDYSRCSXYZUAO-UHFFFAOYSA-N 2 2 320.437 1.210 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129505729 407615117 /nfs/dbraw/zinc/61/51/17/407615117.db2.gz UDHFERRSIVFZPH-OWCLPIDISA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129505729 407615118 /nfs/dbraw/zinc/61/51/18/407615118.db2.gz UDHFERRSIVFZPH-OWCLPIDISA-N 2 2 317.437 1.774 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000173871271 407902272 /nfs/dbraw/zinc/90/22/72/407902272.db2.gz KOEGSUDJFGOVQS-QAPCUYQASA-N 2 2 318.465 1.603 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000173871271 407902277 /nfs/dbraw/zinc/90/22/77/407902277.db2.gz KOEGSUDJFGOVQS-QAPCUYQASA-N 2 2 318.465 1.603 20 30 DDEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000177487668 408635993 /nfs/dbraw/zinc/63/59/93/408635993.db2.gz KJQADTZUGOZAJJ-HNNXBMFYSA-N 2 2 324.469 1.226 20 30 DDEDLP CC(C)(CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000288687518 409173405 /nfs/dbraw/zinc/17/34/05/409173405.db2.gz JQIZUGKDTHHLBC-UHFFFAOYSA-N 2 2 312.364 1.802 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+](Cc2ccccc2)C1 ZINC000289179031 409229440 /nfs/dbraw/zinc/22/94/40/409229440.db2.gz AEIDLQMLVAVOEZ-NVXWUHKLSA-N 2 2 324.432 1.650 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000289179031 409229443 /nfs/dbraw/zinc/22/94/43/409229443.db2.gz AEIDLQMLVAVOEZ-NVXWUHKLSA-N 2 2 324.432 1.650 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297487851 409921314 /nfs/dbraw/zinc/92/13/14/409921314.db2.gz NCBRYVNOOJLXNN-CVEARBPZSA-N 2 2 317.437 1.431 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297487851 409921321 /nfs/dbraw/zinc/92/13/21/409921321.db2.gz NCBRYVNOOJLXNN-CVEARBPZSA-N 2 2 317.437 1.431 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328862087 409994267 /nfs/dbraw/zinc/99/42/67/409994267.db2.gz LZBKDTBAAOECNN-IPYPFGDCSA-N 2 2 317.437 1.606 20 30 DDEDLP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1[nH+]ccn1C ZINC000329185899 410151670 /nfs/dbraw/zinc/15/16/70/410151670.db2.gz OTVSBQZATZJFQG-UHFFFAOYSA-N 2 2 305.426 1.435 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)[C@H]2C1 ZINC000329301418 410220010 /nfs/dbraw/zinc/22/00/10/410220010.db2.gz WFEHUZSIQAJTRN-ILXRZTDVSA-N 2 2 317.437 1.701 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)[C@H]2C1 ZINC000329301418 410220011 /nfs/dbraw/zinc/22/00/11/410220011.db2.gz WFEHUZSIQAJTRN-ILXRZTDVSA-N 2 2 317.437 1.701 20 30 DDEDLP C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299276034 410585334 /nfs/dbraw/zinc/58/53/34/410585334.db2.gz MQQPRLBKKZVSPZ-HKUYNNGSSA-N 2 2 323.440 1.334 20 30 DDEDLP C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299276034 410585338 /nfs/dbraw/zinc/58/53/38/410585338.db2.gz MQQPRLBKKZVSPZ-HKUYNNGSSA-N 2 2 323.440 1.334 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000330274923 410607589 /nfs/dbraw/zinc/60/75/89/410607589.db2.gz KUOHTVDFLMCGDS-ZIAGYGMSSA-N 2 2 303.410 1.282 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000330274923 410607591 /nfs/dbraw/zinc/60/75/91/410607591.db2.gz KUOHTVDFLMCGDS-ZIAGYGMSSA-N 2 2 303.410 1.282 20 30 DDEDLP Cc1ccnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366775897 418515895 /nfs/dbraw/zinc/51/58/95/418515895.db2.gz IPRVBNLANBYODW-MRXNPFEDSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000366775897 418515900 /nfs/dbraw/zinc/51/59/00/418515900.db2.gz IPRVBNLANBYODW-MRXNPFEDSA-N 2 2 313.449 1.866 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246952188 222225526 /nfs/dbraw/zinc/22/55/26/222225526.db2.gz REIQSIGLDJRDQD-SJORKVTESA-N 2 2 323.481 1.454 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246952188 222225529 /nfs/dbraw/zinc/22/55/29/222225529.db2.gz REIQSIGLDJRDQD-SJORKVTESA-N 2 2 323.481 1.454 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008098 222234091 /nfs/dbraw/zinc/23/40/91/222234091.db2.gz KZZMVZVQSMJIGA-KMFMINBZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008098 222234093 /nfs/dbraw/zinc/23/40/93/222234093.db2.gz KZZMVZVQSMJIGA-KMFMINBZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008098 222234095 /nfs/dbraw/zinc/23/40/95/222234095.db2.gz KZZMVZVQSMJIGA-KMFMINBZSA-N 2 2 304.438 1.211 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000248008098 222234098 /nfs/dbraw/zinc/23/40/98/222234098.db2.gz KZZMVZVQSMJIGA-KMFMINBZSA-N 2 2 304.438 1.211 20 30 DDEDLP C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370296351 418742797 /nfs/dbraw/zinc/74/27/97/418742797.db2.gz ZJNKJYDSRPXVBB-GJZGRUSLSA-N 2 2 308.470 1.809 20 30 DDEDLP C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370296351 418742799 /nfs/dbraw/zinc/74/27/99/418742799.db2.gz ZJNKJYDSRPXVBB-GJZGRUSLSA-N 2 2 308.470 1.809 20 30 DDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000371203778 418767657 /nfs/dbraw/zinc/76/76/57/418767657.db2.gz CXFBKOKVXNBWCL-INIZCTEOSA-N 2 2 308.470 1.265 20 30 DDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCC(C)(C)C#N)CC2)C1 ZINC000371203778 418767658 /nfs/dbraw/zinc/76/76/58/418767658.db2.gz CXFBKOKVXNBWCL-INIZCTEOSA-N 2 2 308.470 1.265 20 30 DDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(F)c1C#N ZINC000428296666 419843931 /nfs/dbraw/zinc/84/39/31/419843931.db2.gz YFXOJMXILCENOW-UHFFFAOYSA-N 2 2 304.413 1.767 20 30 DDEDLP Cc1cc(NCc2ccncc2OCC[NH+](C)C)c(C#N)c[nH+]1 ZINC000425273215 420336843 /nfs/dbraw/zinc/33/68/43/420336843.db2.gz YCYROIIUBQJSMN-UHFFFAOYSA-N 2 2 311.389 1.631 20 30 DDEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000425529345 420409497 /nfs/dbraw/zinc/40/94/97/420409497.db2.gz BFPFSKIQGARFGE-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000425529345 420409502 /nfs/dbraw/zinc/40/95/02/420409502.db2.gz BFPFSKIQGARFGE-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)n2c1 ZINC000449397535 421007093 /nfs/dbraw/zinc/00/70/93/421007093.db2.gz VNKDFBPTUGTNQM-HNNXBMFYSA-N 2 2 313.405 1.142 20 30 DDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)n2c1 ZINC000449397535 421007097 /nfs/dbraw/zinc/00/70/97/421007097.db2.gz VNKDFBPTUGTNQM-HNNXBMFYSA-N 2 2 313.405 1.142 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000530335791 421594444 /nfs/dbraw/zinc/59/44/44/421594444.db2.gz XBJMPYDYBBDGIE-QLFBSQMISA-N 2 2 315.421 1.717 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000530335791 421594447 /nfs/dbraw/zinc/59/44/47/421594447.db2.gz XBJMPYDYBBDGIE-QLFBSQMISA-N 2 2 315.421 1.717 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000531554778 421638135 /nfs/dbraw/zinc/63/81/35/421638135.db2.gz ZABYXTDSWOQIBS-UHFFFAOYSA-N 2 2 306.454 1.411 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000531554778 421638138 /nfs/dbraw/zinc/63/81/38/421638138.db2.gz ZABYXTDSWOQIBS-UHFFFAOYSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328623566 288071635 /nfs/dbraw/zinc/07/16/35/288071635.db2.gz YZVYYGXAXZTABQ-ILXRZTDVSA-N 2 2 319.453 1.947 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328623566 288071637 /nfs/dbraw/zinc/07/16/37/288071637.db2.gz YZVYYGXAXZTABQ-ILXRZTDVSA-N 2 2 319.453 1.947 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000526056623 333090576 /nfs/dbraw/zinc/09/05/76/333090576.db2.gz XTENSLFBMAYBTF-QLFBSQMISA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000526056623 333090577 /nfs/dbraw/zinc/09/05/77/333090577.db2.gz XTENSLFBMAYBTF-QLFBSQMISA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000526056623 333090578 /nfs/dbraw/zinc/09/05/78/333090578.db2.gz XTENSLFBMAYBTF-QLFBSQMISA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000526056623 333090579 /nfs/dbraw/zinc/09/05/79/333090579.db2.gz XTENSLFBMAYBTF-QLFBSQMISA-N 2 2 304.438 1.353 20 30 DDEDLP Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000571672510 484342457 /nfs/dbraw/zinc/34/24/57/484342457.db2.gz VHGFDYYWMLHOLB-UHFFFAOYSA-N 2 2 300.406 1.810 20 30 DDEDLP CC#CC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339750821 526360544 /nfs/dbraw/zinc/36/05/44/526360544.db2.gz GRIIBNOANSKHAQ-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339750821 526360548 /nfs/dbraw/zinc/36/05/48/526360548.db2.gz GRIIBNOANSKHAQ-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP C=CCOCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000348039300 526756838 /nfs/dbraw/zinc/75/68/38/526756838.db2.gz UKRYEVWYDWCNCP-UHFFFAOYSA-N 2 2 305.426 1.257 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000491736435 526943064 /nfs/dbraw/zinc/94/30/64/526943064.db2.gz NGIBHMMFIVPMBV-MRXNPFEDSA-N 2 2 310.357 1.522 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000491736435 526943070 /nfs/dbraw/zinc/94/30/70/526943070.db2.gz NGIBHMMFIVPMBV-MRXNPFEDSA-N 2 2 310.357 1.522 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000491473293 526949415 /nfs/dbraw/zinc/94/94/15/526949415.db2.gz CCPCGRTZBGDNPS-CYBMUJFWSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000491473293 526949418 /nfs/dbraw/zinc/94/94/18/526949418.db2.gz CCPCGRTZBGDNPS-CYBMUJFWSA-N 2 2 317.355 1.038 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329784101 529090053 /nfs/dbraw/zinc/09/00/53/529090053.db2.gz VSKXNOINPDGCGO-UKRRQHHQSA-N 2 2 319.453 1.952 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329784101 529090055 /nfs/dbraw/zinc/09/00/55/529090055.db2.gz VSKXNOINPDGCGO-UKRRQHHQSA-N 2 2 319.453 1.952 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972303341 695211635 /nfs/dbraw/zinc/21/16/35/695211635.db2.gz JZBNKUVTFOSJKS-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972303341 695211637 /nfs/dbraw/zinc/21/16/37/695211637.db2.gz JZBNKUVTFOSJKS-KGLIPLIRSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419142 695244764 /nfs/dbraw/zinc/24/47/64/695244764.db2.gz BDKBAVAZCYGFHH-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419142 695244766 /nfs/dbraw/zinc/24/47/66/695244766.db2.gz BDKBAVAZCYGFHH-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419142 695244768 /nfs/dbraw/zinc/24/47/68/695244768.db2.gz BDKBAVAZCYGFHH-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419142 695244770 /nfs/dbraw/zinc/24/47/70/695244770.db2.gz BDKBAVAZCYGFHH-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669345 695708047 /nfs/dbraw/zinc/70/80/47/695708047.db2.gz DQJNMCBILHJVBT-KBPBESRZSA-N 2 2 300.406 1.220 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669345 695708049 /nfs/dbraw/zinc/70/80/49/695708049.db2.gz DQJNMCBILHJVBT-KBPBESRZSA-N 2 2 300.406 1.220 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755759 695727718 /nfs/dbraw/zinc/72/77/18/695727718.db2.gz XFNVJBHMSIYWRB-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755759 695727719 /nfs/dbraw/zinc/72/77/19/695727719.db2.gz XFNVJBHMSIYWRB-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979262 695772274 /nfs/dbraw/zinc/77/22/74/695772274.db2.gz UOZDXKBPRRVHQK-CQSZACIVSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979262 695772276 /nfs/dbraw/zinc/77/22/76/695772276.db2.gz UOZDXKBPRRVHQK-CQSZACIVSA-N 2 2 303.406 1.415 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183286 696702597 /nfs/dbraw/zinc/70/25/97/696702597.db2.gz NXHOCWGCISCVCP-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183286 696702599 /nfs/dbraw/zinc/70/25/99/696702599.db2.gz NXHOCWGCISCVCP-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183704 696702845 /nfs/dbraw/zinc/70/28/45/696702845.db2.gz PJUGZXCBJMHBID-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183704 696702848 /nfs/dbraw/zinc/70/28/48/696702848.db2.gz PJUGZXCBJMHBID-SOUVJXGZSA-N 2 2 302.422 1.745 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483049 697108073 /nfs/dbraw/zinc/10/80/73/697108073.db2.gz DEISVZPFNDRBGU-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981483049 697108074 /nfs/dbraw/zinc/10/80/74/697108074.db2.gz DEISVZPFNDRBGU-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985702442 697558791 /nfs/dbraw/zinc/55/87/91/697558791.db2.gz RJJKSWPYSAINOH-UHFFFAOYSA-N 2 2 324.428 1.741 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000985702442 697558792 /nfs/dbraw/zinc/55/87/92/697558792.db2.gz RJJKSWPYSAINOH-UHFFFAOYSA-N 2 2 324.428 1.741 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602219 698161114 /nfs/dbraw/zinc/16/11/14/698161114.db2.gz AMZMMSXYAGDHJT-RHSMWYFYSA-N 2 2 323.400 1.534 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988877783 698490407 /nfs/dbraw/zinc/49/04/07/698490407.db2.gz VSCILCDVRBDOBZ-KBPBESRZSA-N 2 2 302.422 1.527 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854759 698797343 /nfs/dbraw/zinc/79/73/43/698797343.db2.gz ULVJEFBMCMQVGF-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866219821 706652300 /nfs/dbraw/zinc/65/23/00/706652300.db2.gz YUGUIWPVYYPPGC-CQSZACIVSA-N 2 2 302.422 1.552 20 30 DDEDLP C#C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000817275916 702322303 /nfs/dbraw/zinc/32/23/03/702322303.db2.gz NOWBGSXBPGJNDN-MOPGFXCFSA-N 2 2 314.429 1.789 20 30 DDEDLP C#CCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817777268 702475481 /nfs/dbraw/zinc/47/54/81/702475481.db2.gz GWAOAYMQNWSSDQ-UHFFFAOYSA-N 2 2 320.481 1.601 20 30 DDEDLP C#CCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817777268 702475487 /nfs/dbraw/zinc/47/54/87/702475487.db2.gz GWAOAYMQNWSSDQ-UHFFFAOYSA-N 2 2 320.481 1.601 20 30 DDEDLP CN(C)C(=[NH+]CC[NH+]1CCN(c2ccccc2)CC1)N(C)C ZINC000848990397 703607670 /nfs/dbraw/zinc/60/76/70/703607670.db2.gz HOJINYNDUNZAOW-UHFFFAOYSA-N 2 2 303.454 1.288 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(C#N)c3)CC2)CC1 ZINC000865063665 706340587 /nfs/dbraw/zinc/34/05/87/706340587.db2.gz GPIFIFOIGXTGKD-UHFFFAOYSA-N 2 2 316.405 1.440 20 30 DDEDLP C#C[C@H]1COCC[NH+]1CCCCCC[N@H+]1CCOC[C@@H]1C#C ZINC000839199082 708035966 /nfs/dbraw/zinc/03/59/66/708035966.db2.gz BBYFZIUHVHAXFO-ROUUACIJSA-N 2 2 304.434 1.215 20 30 DDEDLP C#C[C@H]1COCC[NH+]1CCCCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000839199082 708035968 /nfs/dbraw/zinc/03/59/68/708035968.db2.gz BBYFZIUHVHAXFO-ROUUACIJSA-N 2 2 304.434 1.215 20 30 DDEDLP Cn1c[nH+]cc1CCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000902303057 710706067 /nfs/dbraw/zinc/70/60/67/710706067.db2.gz FKDVINXATPZING-UHFFFAOYSA-N 2 2 300.362 1.625 20 30 DDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000931278633 714055522 /nfs/dbraw/zinc/05/55/22/714055522.db2.gz IVNDFVVAQDOUMP-XWTMOSNGSA-N 2 2 324.428 1.545 20 30 DDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000931278633 714055524 /nfs/dbraw/zinc/05/55/24/714055524.db2.gz IVNDFVVAQDOUMP-XWTMOSNGSA-N 2 2 324.428 1.545 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000964065311 717990720 /nfs/dbraw/zinc/99/07/20/717990720.db2.gz CIIOTGVVIKGADU-OQDWRCPYSA-N 2 2 312.417 1.096 20 30 DDEDLP C=CC[C@@H]1CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934471210 714828533 /nfs/dbraw/zinc/82/85/33/714828533.db2.gz SSTVTOSGWZGZLS-MRXNPFEDSA-N 2 2 314.433 1.771 20 30 DDEDLP C=CC[C@@H]1CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934471210 714828535 /nfs/dbraw/zinc/82/85/35/714828535.db2.gz SSTVTOSGWZGZLS-MRXNPFEDSA-N 2 2 314.433 1.771 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364047 717760289 /nfs/dbraw/zinc/76/02/89/717760289.db2.gz BBMXMCFFCCHWBK-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963364047 717760294 /nfs/dbraw/zinc/76/02/94/717760294.db2.gz BBMXMCFFCCHWBK-DOTOQJQBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309400 718837360 /nfs/dbraw/zinc/83/73/60/718837360.db2.gz FTOYRLJYCGLRHK-YOEHRIQHSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000967309400 718837365 /nfs/dbraw/zinc/83/73/65/718837365.db2.gz FTOYRLJYCGLRHK-YOEHRIQHSA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052710 719344201 /nfs/dbraw/zinc/34/42/01/719344201.db2.gz JGNVBLRZSBPVDY-OCCSQVGLSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052710 719344203 /nfs/dbraw/zinc/34/42/03/719344203.db2.gz JGNVBLRZSBPVDY-OCCSQVGLSA-N 2 2 310.829 1.913 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)C2)CC1 ZINC000948825841 719732833 /nfs/dbraw/zinc/73/28/33/719732833.db2.gz UPVOYDQSHBNLTN-JCYILVPMSA-N 2 2 303.450 1.274 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)C2)CC1 ZINC000948825841 719732838 /nfs/dbraw/zinc/73/28/38/719732838.db2.gz UPVOYDQSHBNLTN-JCYILVPMSA-N 2 2 303.450 1.274 20 30 DDEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914475 719864581 /nfs/dbraw/zinc/86/45/81/719864581.db2.gz VNLDVARMWPDCIC-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000968914475 719864585 /nfs/dbraw/zinc/86/45/85/719864585.db2.gz VNLDVARMWPDCIC-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585566 735325273 /nfs/dbraw/zinc/32/52/73/735325273.db2.gz HEWDJDUZOOQBHG-LSDHHAIUSA-N 2 2 314.433 1.681 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585566 735325277 /nfs/dbraw/zinc/32/52/77/735325277.db2.gz HEWDJDUZOOQBHG-LSDHHAIUSA-N 2 2 314.433 1.681 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348616 733260713 /nfs/dbraw/zinc/26/07/13/733260713.db2.gz OFFABQWUZRVGLF-HNNXBMFYSA-N 2 2 302.422 1.734 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644242 733397922 /nfs/dbraw/zinc/39/79/22/733397922.db2.gz FKSCOEZDIQXWFY-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644242 733397923 /nfs/dbraw/zinc/39/79/23/733397923.db2.gz FKSCOEZDIQXWFY-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021716232 733479996 /nfs/dbraw/zinc/47/99/96/733479996.db2.gz JZAGJPZSVRCCRY-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021716232 733479999 /nfs/dbraw/zinc/47/99/99/733479999.db2.gz JZAGJPZSVRCCRY-WBVHZDCISA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883580 738771663 /nfs/dbraw/zinc/77/16/63/738771663.db2.gz PQVVJQSRYSJRRN-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883580 738771666 /nfs/dbraw/zinc/77/16/66/738771666.db2.gz PQVVJQSRYSJRRN-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022303044 734478419 /nfs/dbraw/zinc/47/84/19/734478419.db2.gz TUAWCXVZRNNIFF-RWMBFGLXSA-N 2 2 308.813 1.435 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083259699 735137197 /nfs/dbraw/zinc/13/71/97/735137197.db2.gz OKAZUOWLMSRQEU-JKSUJKDBSA-N 2 2 318.421 1.138 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083259699 735137201 /nfs/dbraw/zinc/13/72/01/735137201.db2.gz OKAZUOWLMSRQEU-JKSUJKDBSA-N 2 2 318.421 1.138 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027981325 738903210 /nfs/dbraw/zinc/90/32/10/738903210.db2.gz MAHMULADDXKMCF-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027981325 738903212 /nfs/dbraw/zinc/90/32/12/738903212.db2.gz MAHMULADDXKMCF-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024659250 736008646 /nfs/dbraw/zinc/00/86/46/736008646.db2.gz CLDQXNYQDMNUJE-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024659250 736008650 /nfs/dbraw/zinc/00/86/50/736008650.db2.gz CLDQXNYQDMNUJE-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255694 736395917 /nfs/dbraw/zinc/39/59/17/736395917.db2.gz SGZYWUIMIOFUKX-SJORKVTESA-N 2 2 314.433 1.752 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255694 736395920 /nfs/dbraw/zinc/39/59/20/736395920.db2.gz SGZYWUIMIOFUKX-SJORKVTESA-N 2 2 314.433 1.752 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272476 736401410 /nfs/dbraw/zinc/40/14/10/736401410.db2.gz MCZIUGGKEWLFGG-IAGOWNOFSA-N 2 2 314.433 1.821 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025272476 736401414 /nfs/dbraw/zinc/40/14/14/736401414.db2.gz MCZIUGGKEWLFGG-IAGOWNOFSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482885 736717556 /nfs/dbraw/zinc/71/75/56/736717556.db2.gz RWBCNXNNWSSXQE-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025482885 736717557 /nfs/dbraw/zinc/71/75/57/736717557.db2.gz RWBCNXNNWSSXQE-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737361 737360913 /nfs/dbraw/zinc/36/09/13/737360913.db2.gz QLEJQQOUPHFFGY-UHFFFAOYSA-N 2 2 320.437 1.041 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584685 737877440 /nfs/dbraw/zinc/87/74/40/737877440.db2.gz XPSNGTFNWYFQRY-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001008584685 737877441 /nfs/dbraw/zinc/87/74/41/737877441.db2.gz XPSNGTFNWYFQRY-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027471910 738325460 /nfs/dbraw/zinc/32/54/60/738325460.db2.gz WRXTXDDALBWMOJ-LSDHHAIUSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027471910 738325464 /nfs/dbraw/zinc/32/54/64/738325464.db2.gz WRXTXDDALBWMOJ-LSDHHAIUSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471910 738325466 /nfs/dbraw/zinc/32/54/66/738325466.db2.gz WRXTXDDALBWMOJ-LSDHHAIUSA-N 2 2 314.433 1.379 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997959501 751419549 /nfs/dbraw/zinc/41/95/49/751419549.db2.gz HAEOBTCTGXJWOC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997959501 751419559 /nfs/dbraw/zinc/41/95/59/751419559.db2.gz HAEOBTCTGXJWOC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997959501 751419562 /nfs/dbraw/zinc/41/95/62/751419562.db2.gz HAEOBTCTGXJWOC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997959501 751419564 /nfs/dbraw/zinc/41/95/64/751419564.db2.gz HAEOBTCTGXJWOC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393927 751463627 /nfs/dbraw/zinc/46/36/27/751463627.db2.gz JZMYCTMTKXQDQO-IRXDYDNUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001035393927 751463629 /nfs/dbraw/zinc/46/36/29/751463629.db2.gz JZMYCTMTKXQDQO-IRXDYDNUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001035393927 751463631 /nfs/dbraw/zinc/46/36/31/751463631.db2.gz JZMYCTMTKXQDQO-IRXDYDNUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001035393927 751463636 /nfs/dbraw/zinc/46/36/36/751463636.db2.gz JZMYCTMTKXQDQO-IRXDYDNUSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641540 739835528 /nfs/dbraw/zinc/83/55/28/739835528.db2.gz HLBBONUOZDSXST-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641540 739835533 /nfs/dbraw/zinc/83/55/33/739835533.db2.gz HLBBONUOZDSXST-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641540 739835538 /nfs/dbraw/zinc/83/55/38/739835538.db2.gz HLBBONUOZDSXST-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641540 739835543 /nfs/dbraw/zinc/83/55/43/739835543.db2.gz HLBBONUOZDSXST-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035476874 751532248 /nfs/dbraw/zinc/53/22/48/751532248.db2.gz BVQNVBGOPDUHDK-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035476874 751532253 /nfs/dbraw/zinc/53/22/53/751532253.db2.gz BVQNVBGOPDUHDK-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035476874 751532258 /nfs/dbraw/zinc/53/22/58/751532258.db2.gz BVQNVBGOPDUHDK-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035476874 751532262 /nfs/dbraw/zinc/53/22/62/751532262.db2.gz BVQNVBGOPDUHDK-SJORKVTESA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087581051 740665151 /nfs/dbraw/zinc/66/51/51/740665151.db2.gz NADWWPORKFXIOB-JKSUJKDBSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001087581051 740665154 /nfs/dbraw/zinc/66/51/54/740665154.db2.gz NADWWPORKFXIOB-JKSUJKDBSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087629034 740687496 /nfs/dbraw/zinc/68/74/96/740687496.db2.gz YQPHSTBVBASIFD-BHYGNILZSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087629034 740687497 /nfs/dbraw/zinc/68/74/97/740687497.db2.gz YQPHSTBVBASIFD-BHYGNILZSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135660 741054316 /nfs/dbraw/zinc/05/43/16/741054316.db2.gz VDLIMXUMOQUCAT-ZNMIVQPWSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001088135660 741054318 /nfs/dbraw/zinc/05/43/18/741054318.db2.gz VDLIMXUMOQUCAT-ZNMIVQPWSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135660 741054320 /nfs/dbraw/zinc/05/43/20/741054320.db2.gz VDLIMXUMOQUCAT-ZNMIVQPWSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088135660 741054323 /nfs/dbraw/zinc/05/43/23/741054323.db2.gz VDLIMXUMOQUCAT-ZNMIVQPWSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035534647 751615879 /nfs/dbraw/zinc/61/58/79/751615879.db2.gz VUWYFMASWMLUFV-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035534647 751615882 /nfs/dbraw/zinc/61/58/82/751615882.db2.gz VUWYFMASWMLUFV-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534647 751615885 /nfs/dbraw/zinc/61/58/85/751615885.db2.gz VUWYFMASWMLUFV-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534647 751615888 /nfs/dbraw/zinc/61/58/88/751615888.db2.gz VUWYFMASWMLUFV-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702974 742209428 /nfs/dbraw/zinc/20/94/28/742209428.db2.gz UVDOLXINFIONEO-KGLIPLIRSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702974 742209431 /nfs/dbraw/zinc/20/94/31/742209431.db2.gz UVDOLXINFIONEO-KGLIPLIRSA-N 2 2 311.857 1.946 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076081420 742530777 /nfs/dbraw/zinc/53/07/77/742530777.db2.gz OOSRYJWKGUPKGY-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076081420 742530780 /nfs/dbraw/zinc/53/07/80/742530780.db2.gz OOSRYJWKGUPKGY-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035728830 751821494 /nfs/dbraw/zinc/82/14/94/751821494.db2.gz QJHGTDSZCCOJDR-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035728830 751821502 /nfs/dbraw/zinc/82/15/02/751821502.db2.gz QJHGTDSZCCOJDR-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC001035738944 751832229 /nfs/dbraw/zinc/83/22/29/751832229.db2.gz BTKDHEAFGQDINM-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182997205 743761651 /nfs/dbraw/zinc/76/16/51/743761651.db2.gz OLQLESQZYYKQOX-RHSMWYFYSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496260 743847957 /nfs/dbraw/zinc/84/79/57/743847957.db2.gz MDKFXHTZIWHCST-CVEARBPZSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009392 745402664 /nfs/dbraw/zinc/40/26/64/745402664.db2.gz HKTHFYSRKVVVCF-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009392 745402667 /nfs/dbraw/zinc/40/26/67/745402667.db2.gz HKTHFYSRKVVVCF-HOCLYGCPSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491094 745744951 /nfs/dbraw/zinc/74/49/51/745744951.db2.gz DJCPYKYBNYBYCV-NVXWUHKLSA-N 2 2 322.412 1.803 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426888 745780558 /nfs/dbraw/zinc/78/05/58/745780558.db2.gz UJDPVSYFCXODTH-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426888 745780561 /nfs/dbraw/zinc/78/05/61/745780561.db2.gz UJDPVSYFCXODTH-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875814 748092365 /nfs/dbraw/zinc/09/23/65/748092365.db2.gz CCVLTCASRDLTPK-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875814 748092374 /nfs/dbraw/zinc/09/23/74/748092374.db2.gz CCVLTCASRDLTPK-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201321238 748477966 /nfs/dbraw/zinc/47/79/66/748477966.db2.gz JDZXGUMDHCBEAW-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525888 748540979 /nfs/dbraw/zinc/54/09/79/748540979.db2.gz WQKUAKFIFAENQT-HOTGVXAUSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001108093028 748813912 /nfs/dbraw/zinc/81/39/12/748813912.db2.gz QIHFOZMDABRVIR-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001108093028 748813928 /nfs/dbraw/zinc/81/39/28/748813928.db2.gz QIHFOZMDABRVIR-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033451012 749370814 /nfs/dbraw/zinc/37/08/14/749370814.db2.gz AFBIMLFIGZDWQW-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033451012 749370819 /nfs/dbraw/zinc/37/08/19/749370819.db2.gz AFBIMLFIGZDWQW-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033463962 749387911 /nfs/dbraw/zinc/38/79/11/749387911.db2.gz BZDLRMROBHSGJU-OAHLLOKOSA-N 2 2 302.422 1.563 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033463962 749387918 /nfs/dbraw/zinc/38/79/18/749387918.db2.gz BZDLRMROBHSGJU-OAHLLOKOSA-N 2 2 302.422 1.563 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754863 750023808 /nfs/dbraw/zinc/02/38/08/750023808.db2.gz DFOZOEGAHOLYJA-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445881 762038471 /nfs/dbraw/zinc/03/84/71/762038471.db2.gz KTUZYSAKPUOZEK-BBWFWOEESA-N 2 2 314.433 1.923 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039445881 762038461 /nfs/dbraw/zinc/03/84/61/762038461.db2.gz KTUZYSAKPUOZEK-BBWFWOEESA-N 2 2 314.433 1.923 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530395 750523004 /nfs/dbraw/zinc/52/30/04/750523004.db2.gz XHPPFQXHLJMMKY-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530395 750523007 /nfs/dbraw/zinc/52/30/07/750523007.db2.gz XHPPFQXHLJMMKY-CQSZACIVSA-N 2 2 310.829 1.915 20 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/nfs/dbraw/zinc/12/28/60/771122860.db2.gz SXBNJRQKDWCJQH-FPCVCCKLSA-N 2 2 312.417 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049738284 771122864 /nfs/dbraw/zinc/12/28/64/771122864.db2.gz SXBNJRQKDWCJQH-FPCVCCKLSA-N 2 2 312.417 1.222 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001091106245 772528551 /nfs/dbraw/zinc/52/85/51/772528551.db2.gz LPCSWXGWJQLMBF-SLTAFYQDSA-N 2 2 316.449 1.884 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001091106245 772528554 /nfs/dbraw/zinc/52/85/54/772528554.db2.gz LPCSWXGWJQLMBF-SLTAFYQDSA-N 2 2 316.449 1.884 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086927257 773724993 /nfs/dbraw/zinc/72/49/93/773724993.db2.gz XNXVUYCDJQQALC-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086927257 773724996 /nfs/dbraw/zinc/72/49/96/773724996.db2.gz XNXVUYCDJQQALC-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229479 774018689 /nfs/dbraw/zinc/01/86/89/774018689.db2.gz RKGAAVZGTYMFAJ-PBHICJAKSA-N 2 2 302.422 1.617 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229479 774018693 /nfs/dbraw/zinc/01/86/93/774018693.db2.gz RKGAAVZGTYMFAJ-PBHICJAKSA-N 2 2 302.422 1.617 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001093516100 774766461 /nfs/dbraw/zinc/76/64/61/774766461.db2.gz FYMXLAPYUBXZJM-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093516100 774766464 /nfs/dbraw/zinc/76/64/64/774766464.db2.gz FYMXLAPYUBXZJM-QGZVFWFLSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001093574955 774849343 /nfs/dbraw/zinc/84/93/43/774849343.db2.gz JHEHWVDFVXCUHX-OAHLLOKOSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001093574955 774849351 /nfs/dbraw/zinc/84/93/51/774849351.db2.gz JHEHWVDFVXCUHX-OAHLLOKOSA-N 2 2 321.465 1.349 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138134 774859342 /nfs/dbraw/zinc/85/93/42/774859342.db2.gz SXWZBEGZMSPQDM-YOEHRIQHSA-N 2 2 300.406 1.255 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138134 774859350 /nfs/dbraw/zinc/85/93/50/774859350.db2.gz SXWZBEGZMSPQDM-YOEHRIQHSA-N 2 2 300.406 1.255 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099350790 774956718 /nfs/dbraw/zinc/95/67/18/774956718.db2.gz VCWNTTACCZYEGA-GHMZBOCLSA-N 2 2 302.300 1.048 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110156790 775843034 /nfs/dbraw/zinc/84/30/34/775843034.db2.gz AFAPQBDRBKMXJP-OWSLCNJRSA-N 2 2 311.429 1.644 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110156790 775843038 /nfs/dbraw/zinc/84/30/38/775843038.db2.gz AFAPQBDRBKMXJP-OWSLCNJRSA-N 2 2 311.429 1.644 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001094966175 776918933 /nfs/dbraw/zinc/91/89/33/776918933.db2.gz SKGNRJAMCSEMEX-JYJNAYRXSA-N 2 2 316.449 1.898 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084909 777862799 /nfs/dbraw/zinc/86/27/99/777862799.db2.gz PBFLVDCNGBFKPW-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084909 777862808 /nfs/dbraw/zinc/86/28/08/777862808.db2.gz PBFLVDCNGBFKPW-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP C#Cc1cc(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc[nH+]1 ZINC001175805892 777928652 /nfs/dbraw/zinc/92/86/52/777928652.db2.gz BMJVFQWLLTYFTC-UHFFFAOYSA-N 2 2 308.385 1.520 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001177101987 778447054 /nfs/dbraw/zinc/44/70/54/778447054.db2.gz PPKWLMLCIPMMKA-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001177101987 778447057 /nfs/dbraw/zinc/44/70/57/778447057.db2.gz PPKWLMLCIPMMKA-JKSUJKDBSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162515 778680770 /nfs/dbraw/zinc/68/07/70/778680770.db2.gz AHSRXTZOMPYWCU-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162515 778680774 /nfs/dbraw/zinc/68/07/74/778680774.db2.gz AHSRXTZOMPYWCU-OAGGEKHMSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643839 778976445 /nfs/dbraw/zinc/97/64/45/778976445.db2.gz SKGSTTXFTTZXQV-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643839 778976448 /nfs/dbraw/zinc/97/64/48/778976448.db2.gz SKGSTTXFTTZXQV-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178872483 779207554 /nfs/dbraw/zinc/20/75/54/779207554.db2.gz RAUPQLOPONZYEL-HNNXBMFYSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296557 837773331 /nfs/dbraw/zinc/77/33/31/837773331.db2.gz PSZZIPJTEXTHDS-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296557 837773342 /nfs/dbraw/zinc/77/33/42/837773342.db2.gz PSZZIPJTEXTHDS-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266896465 837020466 /nfs/dbraw/zinc/02/04/66/837020466.db2.gz BBUZMNNJSNXFNT-DLBZAZTESA-N 2 2 316.449 1.903 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266896465 837020477 /nfs/dbraw/zinc/02/04/77/837020477.db2.gz BBUZMNNJSNXFNT-DLBZAZTESA-N 2 2 316.449 1.903 20 30 DDEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC001267410561 837991753 /nfs/dbraw/zinc/99/17/53/837991753.db2.gz JFVLGUQDMUKARC-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267544440 838278875 /nfs/dbraw/zinc/27/88/75/838278875.db2.gz LMEJVGONZKOHNZ-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267544440 838278877 /nfs/dbraw/zinc/27/88/77/838278877.db2.gz LMEJVGONZKOHNZ-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP C=CC[N@@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267740268 838807004 /nfs/dbraw/zinc/80/70/04/838807004.db2.gz ZHUXQJVVGVPQKJ-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C=CC[N@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267740268 838807015 /nfs/dbraw/zinc/80/70/15/838807015.db2.gz ZHUXQJVVGVPQKJ-UHFFFAOYSA-N 2 2 304.438 1.709 20 30 DDEDLP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC=C)CC1 ZINC001270358400 842511809 /nfs/dbraw/zinc/51/18/09/842511809.db2.gz IAEJZAMOAUEBJZ-UHFFFAOYSA-N 2 2 300.406 1.373 20 30 DDEDLP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001271277054 843462629 /nfs/dbraw/zinc/46/26/29/843462629.db2.gz DMKIBIFELSLJOM-HZPDHXFCSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207300 848113526 /nfs/dbraw/zinc/11/35/26/848113526.db2.gz PSSAJHWYKFYUQN-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034207300 848113531 /nfs/dbraw/zinc/11/35/31/848113531.db2.gz PSSAJHWYKFYUQN-INIZCTEOSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277096 848232391 /nfs/dbraw/zinc/23/23/91/848232391.db2.gz VAVBLYMETNMVSW-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277096 848232397 /nfs/dbraw/zinc/23/23/97/848232397.db2.gz VAVBLYMETNMVSW-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)O2 ZINC001327363681 862104660 /nfs/dbraw/zinc/10/46/60/862104660.db2.gz IDCYIQVULVTYHI-CABCVRRESA-N 2 2 309.454 1.252 20 30 DDEDLP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680866 851220469 /nfs/dbraw/zinc/22/04/69/851220469.db2.gz JWHPMBOSGUGVHF-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP N#CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274040693 851877953 /nfs/dbraw/zinc/87/79/53/851877953.db2.gz RWHVYLXNMGMAAV-HUUCEWRRSA-N 2 2 301.394 1.252 20 30 DDEDLP N#CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274040693 851877961 /nfs/dbraw/zinc/87/79/61/851877961.db2.gz RWHVYLXNMGMAAV-HUUCEWRRSA-N 2 2 301.394 1.252 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740830 855263663 /nfs/dbraw/zinc/26/36/63/855263663.db2.gz DFRNJJNLEGBGRE-PVAVHDDUSA-N 2 2 323.400 1.788 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740830 855263672 /nfs/dbraw/zinc/26/36/72/855263672.db2.gz DFRNJJNLEGBGRE-PVAVHDDUSA-N 2 2 323.400 1.788 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870353 857824732 /nfs/dbraw/zinc/82/47/32/857824732.db2.gz GGIOFSVCYYLORP-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139323806 860364097 /nfs/dbraw/zinc/36/40/97/860364097.db2.gz SSUHZHKYLYDVLE-CQSZACIVSA-N 2 2 304.463 1.740 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202947589 860432315 /nfs/dbraw/zinc/43/23/15/860432315.db2.gz TXQHVFMIVNXETO-UHFFFAOYSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329886028 863919753 /nfs/dbraw/zinc/91/97/53/863919753.db2.gz BIYIMMVFKQUEFI-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001319829120 866320085 /nfs/dbraw/zinc/32/00/85/866320085.db2.gz YVMZBQAJAVVIFN-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356275 866583995 /nfs/dbraw/zinc/58/39/95/866583995.db2.gz ISKMDDXGHYXANV-INIZCTEOSA-N 2 2 314.433 1.996 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356275 866584009 /nfs/dbraw/zinc/58/40/09/866584009.db2.gz ISKMDDXGHYXANV-INIZCTEOSA-N 2 2 314.433 1.996 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433652 866663088 /nfs/dbraw/zinc/66/30/88/866663088.db2.gz GERCLEWTPGBLQB-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433652 866663097 /nfs/dbraw/zinc/66/30/97/866663097.db2.gz GERCLEWTPGBLQB-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433652 866663110 /nfs/dbraw/zinc/66/31/10/866663110.db2.gz GERCLEWTPGBLQB-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433652 866663115 /nfs/dbraw/zinc/66/31/15/866663115.db2.gz GERCLEWTPGBLQB-HNNXBMFYSA-N 2 2 314.433 1.750 20 30 DDEDLP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322582649 868264047 /nfs/dbraw/zinc/26/40/47/868264047.db2.gz VCUFZBDSYMWUJQ-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP CCOC(=O)CC1([NH3+])CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001163530689 868512916 /nfs/dbraw/zinc/51/29/16/868512916.db2.gz GPDJGZWPMPPWGL-UHFFFAOYSA-N 2 2 302.378 1.399 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496329 869233583 /nfs/dbraw/zinc/23/35/83/869233583.db2.gz QDFPLDKAZJKMRP-QGZVFWFLSA-N 2 2 323.481 1.692 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164496329 869233593 /nfs/dbraw/zinc/23/35/93/869233593.db2.gz QDFPLDKAZJKMRP-QGZVFWFLSA-N 2 2 323.481 1.692 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164536613 869268785 /nfs/dbraw/zinc/26/87/85/869268785.db2.gz OGSGKCSOEBWJMJ-UHFFFAOYSA-N 2 2 310.401 1.766 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166473694 870013751 /nfs/dbraw/zinc/01/37/51/870013751.db2.gz CVFLPWOIWSIIOW-UHFFFAOYSA-N 2 2 320.437 1.352 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001317001973 870107385 /nfs/dbraw/zinc/10/73/85/870107385.db2.gz KSINZAWJOKUMBY-HNNXBMFYSA-N 2 2 316.449 1.900 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203544630 870631165 /nfs/dbraw/zinc/63/11/65/870631165.db2.gz HIZZBOWCIXMDOU-UHFFFAOYSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553076 871059325 /nfs/dbraw/zinc/05/93/25/871059325.db2.gz GKYFTNAOCWVQBV-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317553076 871059343 /nfs/dbraw/zinc/05/93/43/871059343.db2.gz GKYFTNAOCWVQBV-CQSZACIVSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001318976234 872374931 /nfs/dbraw/zinc/37/49/31/872374931.db2.gz MIQSOJXNOFQNJS-KLHDSHLOSA-N 2 2 314.433 1.564 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001319084289 872431673 /nfs/dbraw/zinc/43/16/73/872431673.db2.gz CIJRYAKFYCJJJB-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227164561 882885991 /nfs/dbraw/zinc/88/59/91/882885991.db2.gz DYRGOIUKFSPZJC-ARFHVFGLSA-N 2 2 314.433 1.486 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227166099 882886988 /nfs/dbraw/zinc/88/69/88/882886988.db2.gz RHEZIIKWGZYHFZ-USXIJHARSA-N 2 2 314.433 1.486 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001378575690 875158218 /nfs/dbraw/zinc/15/82/18/875158218.db2.gz WZDNRQMJCOYONJ-JTQLQIEISA-N 2 2 314.817 1.444 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917249 876506179 /nfs/dbraw/zinc/50/61/79/876506179.db2.gz RRZLCPPMJBBNTN-ZACQAIPSSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254637 876622625 /nfs/dbraw/zinc/62/26/25/876622625.db2.gz AICAPCNCCGDJSJ-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001374240475 912290394 /nfs/dbraw/zinc/29/03/94/912290394.db2.gz CGWWZGDMKIIKNQ-OLZOCXBDSA-N 2 2 310.829 1.635 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001357396219 879951668 /nfs/dbraw/zinc/95/16/68/879951668.db2.gz HXJQNMXOQHJXTG-AWEZNQCLSA-N 2 2 301.390 1.241 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001228076251 883321378 /nfs/dbraw/zinc/32/13/78/883321378.db2.gz WCKYUZJMELDPSO-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCOC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246064347 892396428 /nfs/dbraw/zinc/39/64/28/892396428.db2.gz LJTPNBQCGAUPNW-QGZVFWFLSA-N 2 2 314.429 1.134 20 30 DDEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246439703 892627938 /nfs/dbraw/zinc/62/79/38/892627938.db2.gz XHOMZCJJBVPXFP-HOTGVXAUSA-N 2 2 302.397 1.638 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001266002190 902738618 /nfs/dbraw/zinc/73/86/18/902738618.db2.gz TWHVFNGLLRERTF-OAHLLOKOSA-N 2 2 308.385 1.557 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001280445479 903687261 /nfs/dbraw/zinc/68/72/61/903687261.db2.gz WKOIYDQKUAUIRH-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001280594912 903820542 /nfs/dbraw/zinc/82/05/42/903820542.db2.gz IDIARPIRMSHQEE-AWEZNQCLSA-N 2 2 314.389 1.570 20 30 DDEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001281137170 904460070 /nfs/dbraw/zinc/46/00/70/904460070.db2.gz JNAFWIQRDVOULJ-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001281137170 904460082 /nfs/dbraw/zinc/46/00/82/904460082.db2.gz JNAFWIQRDVOULJ-CKEIUWERSA-N 2 2 318.421 1.032 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283773023 907936064 /nfs/dbraw/zinc/93/60/64/907936064.db2.gz VSEABTFHIMMBMS-JSGCOSHPSA-N 2 2 316.405 1.598 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001283913391 908170583 /nfs/dbraw/zinc/17/05/83/908170583.db2.gz LKDQPQMKEQZVCA-CRAIPNDOSA-N 2 2 322.412 1.583 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001284072508 908429275 /nfs/dbraw/zinc/42/92/75/908429275.db2.gz RWTZJPSPUFXSRJ-WBVHZDCISA-N 2 2 302.422 1.652 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001284072508 908429287 /nfs/dbraw/zinc/42/92/87/908429287.db2.gz RWTZJPSPUFXSRJ-WBVHZDCISA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284502475 909099415 /nfs/dbraw/zinc/09/94/15/909099415.db2.gz PIBYKENGVZYMDZ-RBSFLKMASA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284502475 909099427 /nfs/dbraw/zinc/09/94/27/909099427.db2.gz PIBYKENGVZYMDZ-RBSFLKMASA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284502475 909099441 /nfs/dbraw/zinc/09/94/41/909099441.db2.gz PIBYKENGVZYMDZ-RBSFLKMASA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284502475 909099459 /nfs/dbraw/zinc/09/94/59/909099459.db2.gz PIBYKENGVZYMDZ-RBSFLKMASA-N 2 2 320.437 1.231 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001375174598 915184698 /nfs/dbraw/zinc/18/46/98/915184698.db2.gz KMECSGYEMTZXRY-KBPBESRZSA-N 2 2 310.829 1.900 20 30 DDEDLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000329124448 539301150 /nfs/dbraw/zinc/30/11/50/539301150.db2.gz SHJYCDWDNVKKFE-ZJIFWQFVSA-N 2 2 324.469 1.226 20 30 DDEDLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000329124448 539301151 /nfs/dbraw/zinc/30/11/51/539301151.db2.gz SHJYCDWDNVKKFE-ZJIFWQFVSA-N 2 2 324.469 1.226 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000330168772 529810374 /nfs/dbraw/zinc/81/03/74/529810374.db2.gz BBRNPYCOBXZGEJ-KRWDZBQOSA-N 2 2 317.437 1.661 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000330168772 529810375 /nfs/dbraw/zinc/81/03/75/529810375.db2.gz BBRNPYCOBXZGEJ-KRWDZBQOSA-N 2 2 317.437 1.661 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCC#N)CC2)CC1 ZINC000330852382 530049967 /nfs/dbraw/zinc/04/99/67/530049967.db2.gz QURVUQCAHIZXST-UHFFFAOYSA-N 2 2 307.442 1.352 20 30 DDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC000073705381 353266695 /nfs/dbraw/zinc/26/66/95/353266695.db2.gz WMWOWHXYQQZLFD-UHFFFAOYSA-N 2 2 311.389 1.345 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cscc3C#N)C2)CC1 ZINC000590243247 355060841 /nfs/dbraw/zinc/06/08/41/355060841.db2.gz RPVAFGYLYSLPRP-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cscc3C#N)C2)CC1 ZINC000590243247 355060843 /nfs/dbraw/zinc/06/08/43/355060843.db2.gz RPVAFGYLYSLPRP-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000073615571 191331686 /nfs/dbraw/zinc/33/16/86/191331686.db2.gz DYHQKSLQMPIUAQ-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000073615571 191331688 /nfs/dbraw/zinc/33/16/88/191331688.db2.gz DYHQKSLQMPIUAQ-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000594440570 356215442 /nfs/dbraw/zinc/21/54/42/356215442.db2.gz FNVBCWBPWPVZPH-HNNXBMFYSA-N 2 2 320.462 1.804 20 30 DDEDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)c(F)c1 ZINC000596655308 356943596 /nfs/dbraw/zinc/94/35/96/356943596.db2.gz USHZKTJLARKVTJ-SECBINFHSA-N 2 2 301.325 1.502 20 30 DDEDLP Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(C#N)c[nH+]1 ZINC000596514044 356902618 /nfs/dbraw/zinc/90/26/18/356902618.db2.gz FVPQDNDGISGECF-IAGOWNOFSA-N 2 2 312.417 1.739 20 30 DDEDLP C[C@H](CC#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000597304110 357128577 /nfs/dbraw/zinc/12/85/77/357128577.db2.gz MZXUSQAEDIBQAM-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1CC1 ZINC000369600574 291331458 /nfs/dbraw/zinc/33/14/58/291331458.db2.gz SAWNAKUIJDEVGV-GRZALLJUSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1CC1 ZINC000369600574 291331463 /nfs/dbraw/zinc/33/14/63/291331463.db2.gz SAWNAKUIJDEVGV-GRZALLJUSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1CC1 ZINC000369600574 291331465 /nfs/dbraw/zinc/33/14/65/291331465.db2.gz SAWNAKUIJDEVGV-GRZALLJUSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C1CC1 ZINC000369600574 291331468 /nfs/dbraw/zinc/33/14/68/291331468.db2.gz SAWNAKUIJDEVGV-GRZALLJUSA-N 2 2 316.449 1.211 20 30 DDEDLP N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266014310 205027375 /nfs/dbraw/zinc/02/73/75/205027375.db2.gz MUBRPMOQYCEDNN-QGZVFWFLSA-N 2 2 315.417 1.591 20 30 DDEDLP N#Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266014310 205027381 /nfs/dbraw/zinc/02/73/81/205027381.db2.gz MUBRPMOQYCEDNN-QGZVFWFLSA-N 2 2 315.417 1.591 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000268888968 207057989 /nfs/dbraw/zinc/05/79/89/207057989.db2.gz OQYQUTHLAZMJHT-UHFFFAOYSA-N 2 2 318.396 1.340 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000269199185 207317960 /nfs/dbraw/zinc/31/79/60/207317960.db2.gz XLWZDOGLHZIPTM-KRWDZBQOSA-N 2 2 323.400 1.882 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000269199185 207317962 /nfs/dbraw/zinc/31/79/62/207317962.db2.gz XLWZDOGLHZIPTM-KRWDZBQOSA-N 2 2 323.400 1.882 20 30 DDEDLP C[NH+]=C(NCc1cc(C)no1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179224451 407758481 /nfs/dbraw/zinc/75/84/81/407758481.db2.gz RMGDZXWCEFWMCA-SWLSCSKDSA-N 2 2 316.409 1.838 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264060912 408357032 /nfs/dbraw/zinc/35/70/32/408357032.db2.gz CUQVOXJGIUNJIL-ZIAGYGMSSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264060912 408357036 /nfs/dbraw/zinc/35/70/36/408357036.db2.gz CUQVOXJGIUNJIL-ZIAGYGMSSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[C@@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)C(N)=O ZINC000159402537 408404297 /nfs/dbraw/zinc/40/42/97/408404297.db2.gz RTFFWBSJPJOVGX-OAHLLOKOSA-N 2 2 318.421 1.573 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227156 409736244 /nfs/dbraw/zinc/73/62/44/409736244.db2.gz ZLEGWPXUIXSGKS-CVEARBPZSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227156 409736250 /nfs/dbraw/zinc/73/62/50/409736250.db2.gz ZLEGWPXUIXSGKS-CVEARBPZSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227156 409736255 /nfs/dbraw/zinc/73/62/55/409736255.db2.gz ZLEGWPXUIXSGKS-CVEARBPZSA-N 2 2 319.453 1.447 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227156 409736261 /nfs/dbraw/zinc/73/62/61/409736261.db2.gz ZLEGWPXUIXSGKS-CVEARBPZSA-N 2 2 319.453 1.447 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328611125 409932723 /nfs/dbraw/zinc/93/27/23/409932723.db2.gz OFPZRNCUOCQSTE-UONOGXRCSA-N 2 2 303.410 1.455 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000328611125 409932728 /nfs/dbraw/zinc/93/27/28/409932728.db2.gz OFPZRNCUOCQSTE-UONOGXRCSA-N 2 2 303.410 1.455 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329507252 410333297 /nfs/dbraw/zinc/33/32/97/410333297.db2.gz AUYZRLCEUKZVKP-ZDUSSCGKSA-N 2 2 305.426 1.455 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329507252 410333304 /nfs/dbraw/zinc/33/33/04/410333304.db2.gz AUYZRLCEUKZVKP-ZDUSSCGKSA-N 2 2 305.426 1.455 20 30 DDEDLP C#CCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366128921 418431244 /nfs/dbraw/zinc/43/12/44/418431244.db2.gz JWQVJLCTHWZXIP-OAHLLOKOSA-N 2 2 306.454 1.258 20 30 DDEDLP C#CCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366128921 418431247 /nfs/dbraw/zinc/43/12/47/418431247.db2.gz JWQVJLCTHWZXIP-OAHLLOKOSA-N 2 2 306.454 1.258 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498096 418482090 /nfs/dbraw/zinc/48/20/90/418482090.db2.gz QUEGVALBGDOZAT-DOTOQJQBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498096 418482091 /nfs/dbraw/zinc/48/20/91/418482091.db2.gz QUEGVALBGDOZAT-DOTOQJQBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366498096 418482092 /nfs/dbraw/zinc/48/20/92/418482092.db2.gz QUEGVALBGDOZAT-DOTOQJQBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366498096 418482094 /nfs/dbraw/zinc/48/20/94/418482094.db2.gz QUEGVALBGDOZAT-DOTOQJQBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H]1CN(C(=O)CC(C)(C)C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000366790421 418518217 /nfs/dbraw/zinc/51/82/17/418518217.db2.gz AQHLXLMJEATGLV-AWEZNQCLSA-N 2 2 306.454 1.553 20 30 DDEDLP C[C@H]1CN(C(=O)CC(C)(C)C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000366790421 418518218 /nfs/dbraw/zinc/51/82/18/418518218.db2.gz AQHLXLMJEATGLV-AWEZNQCLSA-N 2 2 306.454 1.553 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2sccc2C1 ZINC000261981478 222266191 /nfs/dbraw/zinc/26/61/91/222266191.db2.gz ICQVCOWUDTVLJS-GFCCVEGCSA-N 2 2 324.519 1.858 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2sccc2C1 ZINC000261981478 222266194 /nfs/dbraw/zinc/26/61/94/222266194.db2.gz ICQVCOWUDTVLJS-GFCCVEGCSA-N 2 2 324.519 1.858 20 30 DDEDLP C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245536358 222216887 /nfs/dbraw/zinc/21/68/87/222216887.db2.gz LDDUIFIJBKBJSS-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP C[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245536358 222216889 /nfs/dbraw/zinc/21/68/89/222216889.db2.gz LDDUIFIJBKBJSS-LSDHHAIUSA-N 2 2 303.410 1.528 20 30 DDEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccccc1 ZINC000261917325 222261192 /nfs/dbraw/zinc/26/11/92/222261192.db2.gz ZPLDRQLUJVNSAT-INIZCTEOSA-N 2 2 320.462 1.621 20 30 DDEDLP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262659110 222288996 /nfs/dbraw/zinc/28/89/96/222288996.db2.gz MMLFDYXBXNMTHA-HUUCEWRRSA-N 2 2 301.438 1.134 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)C#N)CC2)CC1 ZINC000377753422 418713959 /nfs/dbraw/zinc/71/39/59/418713959.db2.gz GJYYDIOEONHVRV-UHFFFAOYSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829800 222457244 /nfs/dbraw/zinc/45/72/44/222457244.db2.gz DSUNRXYDRVZQQU-GDBMZVCRSA-N 2 2 302.422 1.485 20 30 DDEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OCC#N)cc1 ZINC000271829800 222457246 /nfs/dbraw/zinc/45/72/46/222457246.db2.gz DSUNRXYDRVZQQU-GDBMZVCRSA-N 2 2 302.422 1.485 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277154 418731188 /nfs/dbraw/zinc/73/11/88/418731188.db2.gz KQJPKSGJFSGFMN-CABCVRRESA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277154 418731190 /nfs/dbraw/zinc/73/11/90/418731190.db2.gz KQJPKSGJFSGFMN-CABCVRRESA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277155 418731420 /nfs/dbraw/zinc/73/14/20/418731420.db2.gz KQJPKSGJFSGFMN-GJZGRUSLSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277155 418731422 /nfs/dbraw/zinc/73/14/22/418731422.db2.gz KQJPKSGJFSGFMN-GJZGRUSLSA-N 2 2 309.454 1.252 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424154859 228237027 /nfs/dbraw/zinc/23/70/27/228237027.db2.gz MGYFVTIPMRCFFR-CQSZACIVSA-N 2 2 315.352 1.649 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000424164286 228238963 /nfs/dbraw/zinc/23/89/63/228238963.db2.gz ZHBFNBUQQXUUKL-ZDUSSCGKSA-N 2 2 306.435 1.244 20 30 DDEDLP Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425202003 228389679 /nfs/dbraw/zinc/38/96/79/228389679.db2.gz BZJRQDYAJCQPKU-ZIAGYGMSSA-N 2 2 302.422 1.983 20 30 DDEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)cn1 ZINC000425250017 420329928 /nfs/dbraw/zinc/32/99/28/420329928.db2.gz VEMGZMTXXSXDKF-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)cn1 ZINC000425250017 420329931 /nfs/dbraw/zinc/32/99/31/420329931.db2.gz VEMGZMTXXSXDKF-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP CC#CCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458467462 420665661 /nfs/dbraw/zinc/66/56/61/420665661.db2.gz ISDKNGUWLFJAAP-UHFFFAOYSA-N 2 2 320.481 1.601 20 30 DDEDLP C=CC(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000458985270 420775870 /nfs/dbraw/zinc/77/58/70/420775870.db2.gz IBOQZZLMUJVHNI-UHFFFAOYSA-N 2 2 310.486 1.866 20 30 DDEDLP C=CC(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458985270 420775873 /nfs/dbraw/zinc/77/58/73/420775873.db2.gz IBOQZZLMUJVHNI-UHFFFAOYSA-N 2 2 310.486 1.866 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069063 421716594 /nfs/dbraw/zinc/71/65/94/421716594.db2.gz UDFHDYCBYAKKGG-UONOGXRCSA-N 2 2 303.410 1.218 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069063 421716598 /nfs/dbraw/zinc/71/65/98/421716598.db2.gz UDFHDYCBYAKKGG-UONOGXRCSA-N 2 2 303.410 1.218 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000572563391 421800675 /nfs/dbraw/zinc/80/06/75/421800675.db2.gz YBYQCURHKQJGLV-UHFFFAOYSA-N 2 2 309.373 1.679 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000575039893 422241009 /nfs/dbraw/zinc/24/10/09/422241009.db2.gz FMKUZIGFVPCKMM-UNEWFSDZSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000575039893 422241015 /nfs/dbraw/zinc/24/10/15/422241015.db2.gz FMKUZIGFVPCKMM-UNEWFSDZSA-N 2 2 315.417 1.513 20 30 DDEDLP C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631246764 422629757 /nfs/dbraw/zinc/62/97/57/422629757.db2.gz IAQXZSXCCSQGIT-INIZCTEOSA-N 2 2 305.466 1.970 20 30 DDEDLP C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000631246764 422629763 /nfs/dbraw/zinc/62/97/63/422629763.db2.gz IAQXZSXCCSQGIT-INIZCTEOSA-N 2 2 305.466 1.970 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000370115602 268076297 /nfs/dbraw/zinc/07/62/97/268076297.db2.gz YIDGMCRHSGIUKY-AWEZNQCLSA-N 2 2 320.462 1.116 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921025 336377123 /nfs/dbraw/zinc/37/71/23/336377123.db2.gz DRAWLASSAUAHSW-KJFZJZGVSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921025 336377124 /nfs/dbraw/zinc/37/71/24/336377124.db2.gz DRAWLASSAUAHSW-KJFZJZGVSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921025 336377125 /nfs/dbraw/zinc/37/71/25/336377125.db2.gz DRAWLASSAUAHSW-KJFZJZGVSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921025 336377126 /nfs/dbraw/zinc/37/71/26/336377126.db2.gz DRAWLASSAUAHSW-KJFZJZGVSA-N 2 2 306.454 1.598 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)CC1 ZINC000576276377 341837577 /nfs/dbraw/zinc/83/75/77/341837577.db2.gz HXLBURJNOFJGEA-HNNXBMFYSA-N 2 2 306.454 1.555 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985157 484929727 /nfs/dbraw/zinc/92/97/27/484929727.db2.gz APVDATPCHHJNTD-QGZVFWFLSA-N 2 2 323.481 1.598 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985157 484929731 /nfs/dbraw/zinc/92/97/31/484929731.db2.gz APVDATPCHHJNTD-QGZVFWFLSA-N 2 2 323.481 1.598 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000491537916 526949304 /nfs/dbraw/zinc/94/93/04/526949304.db2.gz UXJHNZRZNCBJSV-CQSZACIVSA-N 2 2 319.836 1.768 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000490922766 526950137 /nfs/dbraw/zinc/95/01/37/526950137.db2.gz GRDWGJKAPBHFIB-CYBMUJFWSA-N 2 2 321.371 1.393 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347075736 528625202 /nfs/dbraw/zinc/62/52/02/528625202.db2.gz FWHADYNNRWREQQ-GOEBONIOSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347075736 528625209 /nfs/dbraw/zinc/62/52/09/528625209.db2.gz FWHADYNNRWREQQ-GOEBONIOSA-N 2 2 316.405 1.543 20 30 DDEDLP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000341048163 529039973 /nfs/dbraw/zinc/03/99/73/529039973.db2.gz PAFXXGYLIWYWBS-QGZVFWFLSA-N 2 2 317.481 1.920 20 30 DDEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429471 695248809 /nfs/dbraw/zinc/24/88/09/695248809.db2.gz HSKOSKPTTPONOG-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429471 695248812 /nfs/dbraw/zinc/24/88/12/695248812.db2.gz HSKOSKPTTPONOG-KRWDZBQOSA-N 2 2 323.400 1.557 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000972583867 695290468 /nfs/dbraw/zinc/29/04/68/695290468.db2.gz ZTYHAPDDWOMIEN-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000972583867 695290471 /nfs/dbraw/zinc/29/04/71/695290471.db2.gz ZTYHAPDDWOMIEN-GOSISDBHSA-N 2 2 321.465 1.208 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746047 695724562 /nfs/dbraw/zinc/72/45/62/695724562.db2.gz XYHYSIWPSLUFAM-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746047 695724565 /nfs/dbraw/zinc/72/45/65/695724565.db2.gz XYHYSIWPSLUFAM-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975051242 695784921 /nfs/dbraw/zinc/78/49/21/695784921.db2.gz WGZRYSCDVCSPKU-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975051242 695784922 /nfs/dbraw/zinc/78/49/22/695784922.db2.gz WGZRYSCDVCSPKU-FMKPAKJESA-N 2 2 316.449 1.926 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103263 697005109 /nfs/dbraw/zinc/00/51/09/697005109.db2.gz UFQZHNMBKJOFDI-GJZGRUSLSA-N 2 2 314.433 1.412 20 30 DDEDLP C[NH+]=C(NCc1nc(C)no1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159958949 697313866 /nfs/dbraw/zinc/31/38/66/697313866.db2.gz LTOGBMIPHPTWIR-AAEUAGOBSA-N 2 2 317.397 1.233 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989854756 698797144 /nfs/dbraw/zinc/79/71/44/698797144.db2.gz ULVJEFBMCMQVGF-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990106746 698955814 /nfs/dbraw/zinc/95/58/14/698955814.db2.gz JKWIWAXZTILOOC-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990106746 698955815 /nfs/dbraw/zinc/95/58/15/698955815.db2.gz JKWIWAXZTILOOC-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990106746 698955816 /nfs/dbraw/zinc/95/58/16/698955816.db2.gz JKWIWAXZTILOOC-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990106746 698955817 /nfs/dbraw/zinc/95/58/17/698955817.db2.gz JKWIWAXZTILOOC-BFYDXBDKSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000730271152 699505663 /nfs/dbraw/zinc/50/56/63/699505663.db2.gz MAVBHWHKTKGCPQ-JKSUJKDBSA-N 2 2 315.417 1.630 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000730271152 699505664 /nfs/dbraw/zinc/50/56/64/699505664.db2.gz MAVBHWHKTKGCPQ-JKSUJKDBSA-N 2 2 315.417 1.630 20 30 DDEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000815571275 701898563 /nfs/dbraw/zinc/89/85/63/701898563.db2.gz ZHPPVNGNYSSXAR-CQSZACIVSA-N 2 2 315.408 1.825 20 30 DDEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000815571275 701898570 /nfs/dbraw/zinc/89/85/70/701898570.db2.gz ZHPPVNGNYSSXAR-CQSZACIVSA-N 2 2 315.408 1.825 20 30 DDEDLP C=C(C)CONC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845612066 703182233 /nfs/dbraw/zinc/18/22/33/703182233.db2.gz SQZUPEHRASANCQ-UHFFFAOYSA-N 2 2 324.469 1.696 20 30 DDEDLP C=C(C)CONC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000845612066 703182232 /nfs/dbraw/zinc/18/22/32/703182232.db2.gz SQZUPEHRASANCQ-UHFFFAOYSA-N 2 2 324.469 1.696 20 30 DDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000866659941 706755384 /nfs/dbraw/zinc/75/53/84/706755384.db2.gz YJPOWLWBUQWKEG-MLGOLLRUSA-N 2 2 301.390 1.832 20 30 DDEDLP N#CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852709421 704103535 /nfs/dbraw/zinc/10/35/35/704103535.db2.gz UXHHUACLULZWAC-QGZVFWFLSA-N 2 2 315.417 1.620 20 30 DDEDLP N#CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852709421 704103537 /nfs/dbraw/zinc/10/35/37/704103537.db2.gz UXHHUACLULZWAC-QGZVFWFLSA-N 2 2 315.417 1.620 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC000876732409 705846133 /nfs/dbraw/zinc/84/61/33/705846133.db2.gz VEXHNNQOZDAYKP-QGZVFWFLSA-N 2 2 323.400 1.538 20 30 DDEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142584 706890352 /nfs/dbraw/zinc/89/03/52/706890352.db2.gz QPFHGPGMFXWZGV-HRCADAONSA-N 2 2 307.438 1.226 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142584 706890350 /nfs/dbraw/zinc/89/03/50/706890350.db2.gz QPFHGPGMFXWZGV-HRCADAONSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142584 706890355 /nfs/dbraw/zinc/89/03/55/706890355.db2.gz QPFHGPGMFXWZGV-HRCADAONSA-N 2 2 307.438 1.226 20 30 DDEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880142584 706890356 /nfs/dbraw/zinc/89/03/56/706890356.db2.gz QPFHGPGMFXWZGV-HRCADAONSA-N 2 2 307.438 1.226 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000913011271 713144152 /nfs/dbraw/zinc/14/41/52/713144152.db2.gz KSXLCZHFPCUJQO-UHFFFAOYSA-N 2 2 319.453 1.944 20 30 DDEDLP N#CC1CCC(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000903448478 711130034 /nfs/dbraw/zinc/13/00/34/711130034.db2.gz GLLHZQCYVMXXER-GPANFISMSA-N 2 2 304.438 1.213 20 30 DDEDLP N#CC1CCC(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000903448478 711130037 /nfs/dbraw/zinc/13/00/37/711130037.db2.gz GLLHZQCYVMXXER-GPANFISMSA-N 2 2 304.438 1.213 20 30 DDEDLP N#CC1(CCCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000903745474 711266014 /nfs/dbraw/zinc/26/60/14/711266014.db2.gz ILTBIUFLGSQHDE-INIZCTEOSA-N 2 2 318.465 1.747 20 30 DDEDLP N#CC1(CCCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000903745474 711266018 /nfs/dbraw/zinc/26/60/18/711266018.db2.gz ILTBIUFLGSQHDE-INIZCTEOSA-N 2 2 318.465 1.747 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1C#N ZINC000895597257 711553874 /nfs/dbraw/zinc/55/38/74/711553874.db2.gz GYXAKEFQCRMYHJ-ZDUSSCGKSA-N 2 2 318.425 1.245 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1C#N ZINC000895597257 711553876 /nfs/dbraw/zinc/55/38/76/711553876.db2.gz GYXAKEFQCRMYHJ-ZDUSSCGKSA-N 2 2 318.425 1.245 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000914153802 713349606 /nfs/dbraw/zinc/34/96/06/713349606.db2.gz LDVDNDRZOKZEQS-UHFFFAOYSA-N 2 2 315.421 1.280 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000931553932 714126844 /nfs/dbraw/zinc/12/68/44/714126844.db2.gz IPTNSDQTLPNUIX-CQSZACIVSA-N 2 2 311.389 1.862 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000931553932 714126846 /nfs/dbraw/zinc/12/68/46/714126846.db2.gz IPTNSDQTLPNUIX-CQSZACIVSA-N 2 2 311.389 1.862 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000923399486 714341917 /nfs/dbraw/zinc/34/19/17/714341917.db2.gz QHDHDBAHBPRXMB-ZBFHGGJFSA-N 2 2 301.390 1.172 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942172280 717523239 /nfs/dbraw/zinc/52/32/39/717523239.db2.gz BRJPBUWHVIMRGG-GOEBONIOSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942172280 717523241 /nfs/dbraw/zinc/52/32/41/717523241.db2.gz BRJPBUWHVIMRGG-GOEBONIOSA-N 2 2 315.417 1.483 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942206567 717548669 /nfs/dbraw/zinc/54/86/69/717548669.db2.gz BJURRVHSKYISHJ-DZGCQCFKSA-N 2 2 318.421 1.200 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942206567 717548672 /nfs/dbraw/zinc/54/86/72/717548672.db2.gz BJURRVHSKYISHJ-DZGCQCFKSA-N 2 2 318.421 1.200 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000962887773 717621828 /nfs/dbraw/zinc/62/18/28/717621828.db2.gz LHHITKNDOZJEKI-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800972 718912795 /nfs/dbraw/zinc/91/27/95/718912795.db2.gz UIYBIYSLNDNPMA-OKILXGFUSA-N 2 2 322.840 1.875 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800972 718912798 /nfs/dbraw/zinc/91/27/98/718912798.db2.gz UIYBIYSLNDNPMA-OKILXGFUSA-N 2 2 322.840 1.875 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800453 718913081 /nfs/dbraw/zinc/91/30/81/718913081.db2.gz CSOKVUWYWMQQAP-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800453 718913083 /nfs/dbraw/zinc/91/30/83/718913083.db2.gz CSOKVUWYWMQQAP-GASCZTMLSA-N 2 2 300.406 1.146 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549712 719659840 /nfs/dbraw/zinc/65/98/40/719659840.db2.gz WPCNSIDIBGLQOI-OCCSQVGLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549712 719659844 /nfs/dbraw/zinc/65/98/44/719659844.db2.gz WPCNSIDIBGLQOI-OCCSQVGLSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969125261 719969119 /nfs/dbraw/zinc/96/91/19/719969119.db2.gz ZMBAMMFLSIEFJI-QWHCGFSZSA-N 2 2 308.813 1.389 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000949820945 720363654 /nfs/dbraw/zinc/36/36/54/720363654.db2.gz FHSAZFHGBJTPCK-QGZVFWFLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000949820945 720363660 /nfs/dbraw/zinc/36/36/60/720363660.db2.gz FHSAZFHGBJTPCK-QGZVFWFLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970753078 720923421 /nfs/dbraw/zinc/92/34/21/720923421.db2.gz YOAHLWJELROQHH-GFCCVEGCSA-N 2 2 322.840 1.950 20 30 DDEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582005 735455525 /nfs/dbraw/zinc/45/55/25/735455525.db2.gz ILFMVNLKSZDDNB-UHFFFAOYSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CC[N@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582005 735455526 /nfs/dbraw/zinc/45/55/26/735455526.db2.gz ILFMVNLKSZDDNB-UHFFFAOYSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663233 735501347 /nfs/dbraw/zinc/50/13/47/735501347.db2.gz JJCLPEGEIJURCF-RUXDESIVSA-N 2 2 302.422 1.890 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021701728 733465595 /nfs/dbraw/zinc/46/55/95/733465595.db2.gz BXHLNPBDGOSQCD-GJZGRUSLSA-N 2 2 302.422 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C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201334 748909772 /nfs/dbraw/zinc/90/97/72/748909772.db2.gz ANBXBCQMGMOJTP-WBVHZDCISA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995976099 749311277 /nfs/dbraw/zinc/31/12/77/749311277.db2.gz PIKSZYPSLHQDNI-ZFWWWQNUSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033877164 750015407 /nfs/dbraw/zinc/01/54/07/750015407.db2.gz ATNSTTCYYULQGX-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033877164 750015414 /nfs/dbraw/zinc/01/54/14/750015414.db2.gz ATNSTTCYYULQGX-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491857 750048252 /nfs/dbraw/zinc/04/82/52/750048252.db2.gz NYPJOSSMVRFOMA-NVXWUHKLSA-N 2 2 302.422 1.820 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491857 750048254 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315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC=C ZINC001039648324 762146918 /nfs/dbraw/zinc/14/69/18/762146918.db2.gz HWYVAWLLJUMDTH-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC=C ZINC001039648324 762146919 /nfs/dbraw/zinc/14/69/19/762146919.db2.gz HWYVAWLLJUMDTH-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC=C ZINC001039648324 762146922 /nfs/dbraw/zinc/14/69/22/762146922.db2.gz HWYVAWLLJUMDTH-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999286887 752787451 /nfs/dbraw/zinc/78/74/51/752787451.db2.gz FJRJJTPMGSHFMJ-PREGVCBESA-N 2 2 321.465 1.395 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999286887 752787456 /nfs/dbraw/zinc/78/74/56/752787456.db2.gz FJRJJTPMGSHFMJ-PREGVCBESA-N 2 2 321.465 1.395 20 30 DDEDLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999914681 753241267 /nfs/dbraw/zinc/24/12/67/753241267.db2.gz FGKQLMGJIYVDNX-UHFFFAOYSA-N 2 2 323.400 1.534 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108007857 753495758 /nfs/dbraw/zinc/49/57/58/753495758.db2.gz JFWAERONUVXZQP-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007857 753495762 /nfs/dbraw/zinc/49/57/62/753495762.db2.gz JFWAERONUVXZQP-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007857 753495765 /nfs/dbraw/zinc/49/57/65/753495765.db2.gz JFWAERONUVXZQP-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007857 753495767 /nfs/dbraw/zinc/49/57/67/753495767.db2.gz JFWAERONUVXZQP-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079991019 755668301 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30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465589 757583524 /nfs/dbraw/zinc/58/35/24/757583524.db2.gz PSDQJTOQWLJLCN-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465589 757583531 /nfs/dbraw/zinc/58/35/31/757583531.db2.gz PSDQJTOQWLJLCN-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)O2 ZINC001053618866 758636351 /nfs/dbraw/zinc/63/63/51/758636351.db2.gz FERYCZUKSOMZQC-CABCVRRESA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001053618866 758636355 /nfs/dbraw/zinc/63/63/55/758636355.db2.gz FERYCZUKSOMZQC-CABCVRRESA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053906392 758940253 /nfs/dbraw/zinc/94/02/53/758940253.db2.gz YQYSZGZQVFXLQT-JYJNAYRXSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053906392 758940257 /nfs/dbraw/zinc/94/02/57/758940257.db2.gz YQYSZGZQVFXLQT-JYJNAYRXSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053926657 758964351 /nfs/dbraw/zinc/96/43/51/758964351.db2.gz KOKLQBXVJRLNSZ-LSDHHAIUSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053926657 758964355 /nfs/dbraw/zinc/96/43/55/758964355.db2.gz KOKLQBXVJRLNSZ-LSDHHAIUSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250552 759200248 /nfs/dbraw/zinc/20/02/48/759200248.db2.gz YSGAFBFPFPZCMT-RBSFLKMASA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250552 759200250 /nfs/dbraw/zinc/20/02/50/759200250.db2.gz YSGAFBFPFPZCMT-RBSFLKMASA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085915933 760531789 /nfs/dbraw/zinc/53/17/89/760531789.db2.gz NLTNVFJPDQFVJV-DLBZAZTESA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085915933 760531793 /nfs/dbraw/zinc/53/17/93/760531793.db2.gz NLTNVFJPDQFVJV-DLBZAZTESA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915933 760531797 /nfs/dbraw/zinc/53/17/97/760531797.db2.gz NLTNVFJPDQFVJV-DLBZAZTESA-N 2 2 305.466 1.807 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915933 760531803 /nfs/dbraw/zinc/53/18/03/760531803.db2.gz NLTNVFJPDQFVJV-DLBZAZTESA-N 2 2 305.466 1.807 20 30 DDEDLP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006297800 761430888 /nfs/dbraw/zinc/43/08/88/761430888.db2.gz ICTXLBPRUFJKGZ-UHFFFAOYSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039189562 761815778 /nfs/dbraw/zinc/81/57/78/761815778.db2.gz UWFBGHUFMAWCCH-INIZCTEOSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001039189562 761815788 /nfs/dbraw/zinc/81/57/88/761815788.db2.gz UWFBGHUFMAWCCH-INIZCTEOSA-N 2 2 314.433 1.454 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042089715 763638543 /nfs/dbraw/zinc/63/85/43/763638543.db2.gz GDCGTVNSQVQRFJ-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001042089715 763638545 /nfs/dbraw/zinc/63/85/45/763638545.db2.gz GDCGTVNSQVQRFJ-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042089715 763638546 /nfs/dbraw/zinc/63/85/46/763638546.db2.gz GDCGTVNSQVQRFJ-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042089715 763638548 /nfs/dbraw/zinc/63/85/48/763638548.db2.gz GDCGTVNSQVQRFJ-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001050946309 764324253 /nfs/dbraw/zinc/32/42/53/764324253.db2.gz AMWANBJPJIDERT-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001050946309 764324259 /nfs/dbraw/zinc/32/42/59/764324259.db2.gz AMWANBJPJIDERT-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050946309 764324263 /nfs/dbraw/zinc/32/42/63/764324263.db2.gz AMWANBJPJIDERT-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001050946309 764324268 /nfs/dbraw/zinc/32/42/68/764324268.db2.gz AMWANBJPJIDERT-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051086515 764492726 /nfs/dbraw/zinc/49/27/26/764492726.db2.gz LCDROUNAGDURAX-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051086515 764492728 /nfs/dbraw/zinc/49/27/28/764492728.db2.gz LCDROUNAGDURAX-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086515 764492730 /nfs/dbraw/zinc/49/27/30/764492730.db2.gz LCDROUNAGDURAX-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086515 764492732 /nfs/dbraw/zinc/49/27/32/764492732.db2.gz LCDROUNAGDURAX-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001044648369 765724496 /nfs/dbraw/zinc/72/44/96/765724496.db2.gz DXSNFROTODZVNH-ZFWWWQNUSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001044648365 765724716 /nfs/dbraw/zinc/72/47/16/765724716.db2.gz DXSNFROTODZVNH-HIFRSBDPSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678483 767673675 /nfs/dbraw/zinc/67/36/75/767673675.db2.gz GVRSTXSNLAQODW-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678483 767673677 /nfs/dbraw/zinc/67/36/77/767673677.db2.gz GVRSTXSNLAQODW-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678483 767673680 /nfs/dbraw/zinc/67/36/80/767673680.db2.gz GVRSTXSNLAQODW-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678483 767673682 /nfs/dbraw/zinc/67/36/82/767673682.db2.gz GVRSTXSNLAQODW-JZXOWHBKSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047425725 768468275 /nfs/dbraw/zinc/46/82/75/768468275.db2.gz ALPGYGLQHDBKLN-GJZGRUSLSA-N 2 2 320.437 1.006 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047425725 768468277 /nfs/dbraw/zinc/46/82/77/768468277.db2.gz ALPGYGLQHDBKLN-GJZGRUSLSA-N 2 2 320.437 1.006 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195174 768666036 /nfs/dbraw/zinc/66/60/36/768666036.db2.gz KYELKKYHXHXAHA-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195174 768666040 /nfs/dbraw/zinc/66/60/40/768666040.db2.gz KYELKKYHXHXAHA-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135581 769520495 /nfs/dbraw/zinc/52/04/95/769520495.db2.gz UIAYOHBCZYPGIQ-AAEUAGOBSA-N 2 2 310.829 1.779 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527891 770979707 /nfs/dbraw/zinc/97/97/07/770979707.db2.gz WIACXSFCGDCVMK-TXCZRRACSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527891 770979713 /nfs/dbraw/zinc/97/97/13/770979713.db2.gz WIACXSFCGDCVMK-TXCZRRACSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527891 770979720 /nfs/dbraw/zinc/97/97/20/770979720.db2.gz WIACXSFCGDCVMK-TXCZRRACSA-N 2 2 312.417 1.602 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527891 770979724 /nfs/dbraw/zinc/97/97/24/770979724.db2.gz WIACXSFCGDCVMK-TXCZRRACSA-N 2 2 312.417 1.602 20 30 DDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403681 770989336 /nfs/dbraw/zinc/98/93/36/770989336.db2.gz RMARLMNYNIFOBL-HUUCEWRRSA-N 2 2 316.449 1.658 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611497 771018389 /nfs/dbraw/zinc/01/83/89/771018389.db2.gz GYUDTWJVZSMWDS-HZPDHXFCSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611497 771018394 /nfs/dbraw/zinc/01/83/94/771018394.db2.gz GYUDTWJVZSMWDS-HZPDHXFCSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625432 771028966 /nfs/dbraw/zinc/02/89/66/771028966.db2.gz KSHFDEMTUQYDRL-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625432 771028971 /nfs/dbraw/zinc/02/89/71/771028971.db2.gz KSHFDEMTUQYDRL-HZPDHXFCSA-N 2 2 300.406 1.362 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866833 771219225 /nfs/dbraw/zinc/21/92/25/771219225.db2.gz KRUOVGQEGXQPJA-HZPDHXFCSA-N 2 2 300.406 1.349 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866833 771219227 /nfs/dbraw/zinc/21/92/27/771219227.db2.gz KRUOVGQEGXQPJA-HZPDHXFCSA-N 2 2 300.406 1.349 20 30 DDEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135071920 771307366 /nfs/dbraw/zinc/30/73/66/771307366.db2.gz MMSWBEXSGOJFLU-CYBMUJFWSA-N 2 2 311.389 1.366 20 30 DDEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135071920 771307368 /nfs/dbraw/zinc/30/73/68/771307368.db2.gz MMSWBEXSGOJFLU-CYBMUJFWSA-N 2 2 311.389 1.366 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138049 771351612 /nfs/dbraw/zinc/35/16/12/771351612.db2.gz WJDJWBJWYAVNNE-CABCVRRESA-N 2 2 308.426 1.349 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660861 773274048 /nfs/dbraw/zinc/27/40/48/773274048.db2.gz QKOYTPBVRWXWEV-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660861 773274053 /nfs/dbraw/zinc/27/40/53/773274053.db2.gz QKOYTPBVRWXWEV-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001074269353 773781963 /nfs/dbraw/zinc/78/19/63/773781963.db2.gz UZNDDDNECROLKO-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001074269353 773781967 /nfs/dbraw/zinc/78/19/67/773781967.db2.gz UZNDDDNECROLKO-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074269353 773781969 /nfs/dbraw/zinc/78/19/69/773781969.db2.gz UZNDDDNECROLKO-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074269353 773781972 /nfs/dbraw/zinc/78/19/72/773781972.db2.gz UZNDDDNECROLKO-SJORKVTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798156 773809410 /nfs/dbraw/zinc/80/94/10/773809410.db2.gz LIZHYFRYAYKAJJ-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798156 773809415 /nfs/dbraw/zinc/80/94/15/773809415.db2.gz LIZHYFRYAYKAJJ-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881225 775946202 /nfs/dbraw/zinc/94/62/02/775946202.db2.gz RKPGYRVAQSFGGO-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881225 775946212 /nfs/dbraw/zinc/94/62/12/775946212.db2.gz RKPGYRVAQSFGGO-HOCLYGCPSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419044 776126815 /nfs/dbraw/zinc/12/68/15/776126815.db2.gz NLTKBUZDDIUCRU-NEXFUWMNSA-N 2 2 318.421 1.200 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419044 776126825 /nfs/dbraw/zinc/12/68/25/776126825.db2.gz NLTKBUZDDIUCRU-NEXFUWMNSA-N 2 2 318.421 1.200 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596053 776362239 /nfs/dbraw/zinc/36/22/39/776362239.db2.gz JRGXYSDCGDTOEW-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819505 776591777 /nfs/dbraw/zinc/59/17/77/776591777.db2.gz XDMZEWABKTWCAU-UHFFFAOYSA-N 2 2 322.412 1.994 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001094909960 776777814 /nfs/dbraw/zinc/77/78/14/776777814.db2.gz RUKCIJGYEJSWBY-ZNMIVQPWSA-N 2 2 302.422 1.888 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001094922567 776809416 /nfs/dbraw/zinc/80/94/16/776809416.db2.gz HKKXNPNQBNESDX-XIRDDKMYSA-N 2 2 322.412 1.859 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101039680 776848369 /nfs/dbraw/zinc/84/83/69/776848369.db2.gz YFWYWUJJSFFLLH-BDVYOWHSSA-N 2 2 314.433 1.192 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094970467 776927156 /nfs/dbraw/zinc/92/71/56/776927156.db2.gz DZGPHJBYNYHISE-JYJNAYRXSA-N 2 2 302.422 1.818 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189679 777938053 /nfs/dbraw/zinc/93/80/53/777938053.db2.gz KLYUFCXFTKIWOD-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110189679 777938063 /nfs/dbraw/zinc/93/80/63/777938063.db2.gz KLYUFCXFTKIWOD-PMPSAXMXSA-N 2 2 302.422 1.961 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517575 778918782 /nfs/dbraw/zinc/91/87/82/778918782.db2.gz SVGIXARGPHHCQJ-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517575 778918790 /nfs/dbraw/zinc/91/87/90/778918790.db2.gz SVGIXARGPHHCQJ-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517575 778918793 /nfs/dbraw/zinc/91/87/93/778918793.db2.gz SVGIXARGPHHCQJ-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517575 778918803 /nfs/dbraw/zinc/91/88/03/778918803.db2.gz SVGIXARGPHHCQJ-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120240267 781830192 /nfs/dbraw/zinc/83/01/92/781830192.db2.gz ORUIQFVKGOPUDU-UHFFFAOYSA-N 2 2 302.422 1.705 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306800 837794334 /nfs/dbraw/zinc/79/43/34/837794334.db2.gz XUFJMLGAGBAEGA-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306800 837794342 /nfs/dbraw/zinc/79/43/42/837794342.db2.gz XUFJMLGAGBAEGA-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306800 837794348 /nfs/dbraw/zinc/79/43/48/837794348.db2.gz XUFJMLGAGBAEGA-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306800 837794355 /nfs/dbraw/zinc/79/43/55/837794355.db2.gz XUFJMLGAGBAEGA-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266795393 836846985 /nfs/dbraw/zinc/84/69/85/836846985.db2.gz JGTJGEMRVRCPBD-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269425163 841635264 /nfs/dbraw/zinc/63/52/64/841635264.db2.gz NQDLANYLEVSLLH-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271021107 843141147 /nfs/dbraw/zinc/14/11/47/843141147.db2.gz IQUKYVNJONAKBD-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277797 848237388 /nfs/dbraw/zinc/23/73/88/848237388.db2.gz FOYPCNUFGMNDFA-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277797 848237396 /nfs/dbraw/zinc/23/73/96/848237396.db2.gz FOYPCNUFGMNDFA-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108437056 850518653 /nfs/dbraw/zinc/51/86/53/850518653.db2.gz ITSBUXYNPXLVHK-KRWDZBQOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108437056 850518657 /nfs/dbraw/zinc/51/86/57/850518657.db2.gz ITSBUXYNPXLVHK-KRWDZBQOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201336991 851473106 /nfs/dbraw/zinc/47/31/06/851473106.db2.gz OFRUROBYDIOTHS-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273905095 851488177 /nfs/dbraw/zinc/48/81/77/851488177.db2.gz PVQMPEYWFLLALF-QGZVFWFLSA-N 2 2 314.389 1.001 20 30 DDEDLP C#CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273905095 851488181 /nfs/dbraw/zinc/48/81/81/851488181.db2.gz PVQMPEYWFLLALF-QGZVFWFLSA-N 2 2 314.389 1.001 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508180 862285798 /nfs/dbraw/zinc/28/57/98/862285798.db2.gz OXOARPWYUCRWLC-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508180 862285815 /nfs/dbraw/zinc/28/58/15/862285815.db2.gz OXOARPWYUCRWLC-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036709 851874921 /nfs/dbraw/zinc/87/49/21/851874921.db2.gz QSBIELBGXYXNBM-SFHVURJKSA-N 2 2 313.445 1.982 20 30 DDEDLP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036709 851874926 /nfs/dbraw/zinc/87/49/26/851874926.db2.gz QSBIELBGXYXNBM-SFHVURJKSA-N 2 2 313.445 1.982 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001280658897 851908244 /nfs/dbraw/zinc/90/82/44/851908244.db2.gz GKLLSPGVHXXSKD-ZDUSSCGKSA-N 2 2 306.410 1.080 20 30 DDEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110391 851935226 /nfs/dbraw/zinc/93/52/26/851935226.db2.gz JEPUNAXKQDWBRE-LJQANCHMSA-N 2 2 322.412 1.925 20 30 DDEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110391 851935229 /nfs/dbraw/zinc/93/52/29/851935229.db2.gz JEPUNAXKQDWBRE-LJQANCHMSA-N 2 2 322.412 1.925 20 30 DDEDLP C=CCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274974567 852723747 /nfs/dbraw/zinc/72/37/47/852723747.db2.gz NPJBIUNPUUANRM-SJORKVTESA-N 2 2 304.438 1.624 20 30 DDEDLP C=CCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274974567 852723752 /nfs/dbraw/zinc/72/37/52/852723752.db2.gz NPJBIUNPUUANRM-SJORKVTESA-N 2 2 304.438 1.624 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001275036051 852764359 /nfs/dbraw/zinc/76/43/59/852764359.db2.gz LJNNNBGATAIMOC-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1F ZINC001275358162 853014164 /nfs/dbraw/zinc/01/41/64/853014164.db2.gz JFWUOTXDACBUFV-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1F ZINC001275358162 853014168 /nfs/dbraw/zinc/01/41/68/853014168.db2.gz JFWUOTXDACBUFV-CALCHBBNSA-N 2 2 316.424 1.908 20 30 DDEDLP C[NH+](C)C1(CNc2nc(C#N)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001156182647 862786132 /nfs/dbraw/zinc/78/61/32/862786132.db2.gz ZQXWSSFDSUVDSN-UHFFFAOYSA-N 2 2 318.381 1.299 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561017 856978111 /nfs/dbraw/zinc/97/81/11/856978111.db2.gz GHKKGCNGISJJRZ-DJIMGWMZSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001049561017 856978115 /nfs/dbraw/zinc/97/81/15/856978115.db2.gz GHKKGCNGISJJRZ-DJIMGWMZSA-N 2 2 314.433 1.697 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994538 857978279 /nfs/dbraw/zinc/97/82/79/857978279.db2.gz GJLAURQXQPTTLA-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994538 857978281 /nfs/dbraw/zinc/97/82/81/857978281.db2.gz GJLAURQXQPTTLA-HUUCEWRRSA-N 2 2 312.417 1.081 20 30 DDEDLP C#CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329440381 863668160 /nfs/dbraw/zinc/66/81/60/863668160.db2.gz GYURHXHRLVHVIA-CQSZACIVSA-N 2 2 302.422 1.222 20 30 DDEDLP C#CCC[N@H+](C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001329440381 863668164 /nfs/dbraw/zinc/66/81/64/863668164.db2.gz GYURHXHRLVHVIA-CQSZACIVSA-N 2 2 302.422 1.222 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154077985 864391612 /nfs/dbraw/zinc/39/16/12/864391612.db2.gz BIBDUWHCPOIXEZ-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154077985 864391629 /nfs/dbraw/zinc/39/16/29/864391629.db2.gz BIBDUWHCPOIXEZ-HUUCEWRRSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083033 864396765 /nfs/dbraw/zinc/39/67/65/864396765.db2.gz CUYJRXXVFDKGND-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083033 864396768 /nfs/dbraw/zinc/39/67/68/864396768.db2.gz CUYJRXXVFDKGND-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158171945 864468791 /nfs/dbraw/zinc/46/87/91/864468791.db2.gz PZTSLBIWHZGAEP-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001158171945 864468800 /nfs/dbraw/zinc/46/88/00/864468800.db2.gz PZTSLBIWHZGAEP-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332546564 865921905 /nfs/dbraw/zinc/92/19/05/865921905.db2.gz IJRCVUPBXAJYRZ-HNNXBMFYSA-N 2 2 305.422 1.605 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001332950729 866283824 /nfs/dbraw/zinc/28/38/24/866283824.db2.gz XVZDOUOCFNSFSC-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001319849369 866340378 /nfs/dbraw/zinc/34/03/78/866340378.db2.gz OKLSBHMYLPVMSE-HOCLYGCPSA-N 2 2 315.417 1.483 20 30 DDEDLP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001319921458 866385376 /nfs/dbraw/zinc/38/53/76/866385376.db2.gz HJCXLWXCEUTBIB-HUUCEWRRSA-N 2 2 304.438 1.752 20 30 DDEDLP CC#CC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001333190146 866503032 /nfs/dbraw/zinc/50/30/32/866503032.db2.gz DHZOCCAFRNSKND-UHFFFAOYSA-N 2 2 300.406 1.267 20 30 DDEDLP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001320932733 867130579 /nfs/dbraw/zinc/13/05/79/867130579.db2.gz RHYVAFMIPDJRIU-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205543 868045972 /nfs/dbraw/zinc/04/59/72/868045972.db2.gz ISDSVEAKUGZUJC-AWEZNQCLSA-N 2 2 316.405 1.587 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001322205543 868045983 /nfs/dbraw/zinc/04/59/83/868045983.db2.gz ISDSVEAKUGZUJC-AWEZNQCLSA-N 2 2 316.405 1.587 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445560 868303707 /nfs/dbraw/zinc/30/37/07/868303707.db2.gz TVABCKPHMGNQRJ-AWEZNQCLSA-N 2 2 300.406 1.818 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445560 868303720 /nfs/dbraw/zinc/30/37/20/868303720.db2.gz TVABCKPHMGNQRJ-AWEZNQCLSA-N 2 2 300.406 1.818 20 30 DDEDLP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001322661343 868309512 /nfs/dbraw/zinc/30/95/12/868309512.db2.gz DJCMJUOEMHHYHS-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001322661343 868309531 /nfs/dbraw/zinc/30/95/31/868309531.db2.gz DJCMJUOEMHHYHS-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164492158 869232587 /nfs/dbraw/zinc/23/25/87/869232587.db2.gz VUERGQSVRCGUJW-QGZVFWFLSA-N 2 2 323.481 1.692 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164492158 869232600 /nfs/dbraw/zinc/23/26/00/869232600.db2.gz VUERGQSVRCGUJW-QGZVFWFLSA-N 2 2 323.481 1.692 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCOC ZINC001317173064 870413507 /nfs/dbraw/zinc/41/35/07/870413507.db2.gz MSEZQGHJRKBPFU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCOC ZINC001317173064 870413514 /nfs/dbraw/zinc/41/35/14/870413514.db2.gz MSEZQGHJRKBPFU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCOC ZINC001317173064 870413521 /nfs/dbraw/zinc/41/35/21/870413521.db2.gz MSEZQGHJRKBPFU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCOC ZINC001317173064 870413524 /nfs/dbraw/zinc/41/35/24/870413524.db2.gz MSEZQGHJRKBPFU-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317369191 870717818 /nfs/dbraw/zinc/71/78/18/870717818.db2.gz WJJXYOOQMRWQTH-UHFFFAOYSA-N 2 2 310.401 1.424 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526923 870996391 /nfs/dbraw/zinc/99/63/91/870996391.db2.gz MRUFPQIVVJUEJI-IAGOWNOFSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317526923 870996405 /nfs/dbraw/zinc/99/64/05/870996405.db2.gz MRUFPQIVVJUEJI-IAGOWNOFSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205556167 871628092 /nfs/dbraw/zinc/62/80/92/871628092.db2.gz MEHPAMJSHLWUJS-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001341697497 871781389 /nfs/dbraw/zinc/78/13/89/871781389.db2.gz RPBHHNGBYQSQQP-OAHLLOKOSA-N 2 2 315.417 1.123 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001316773586 871889714 /nfs/dbraw/zinc/88/97/14/871889714.db2.gz WZSHWDBPKLPNNG-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001318700403 872212245 /nfs/dbraw/zinc/21/22/45/872212245.db2.gz CLOXZQBQVFOGCU-KRWDZBQOSA-N 2 2 301.390 1.140 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790736 873567253 /nfs/dbraw/zinc/56/72/53/873567253.db2.gz XNQKKDFCCIXRIJ-CZUORRHYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790736 873567257 /nfs/dbraw/zinc/56/72/57/873567257.db2.gz XNQKKDFCCIXRIJ-CZUORRHYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435999 874139792 /nfs/dbraw/zinc/13/97/92/874139792.db2.gz SVIYWESLDPLUJL-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210436928 875387106 /nfs/dbraw/zinc/38/71/06/875387106.db2.gz GVSOACZDABZQTH-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001210438405 875388842 /nfs/dbraw/zinc/38/88/42/875388842.db2.gz RONUBXPZSIYWMN-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001379276944 876725519 /nfs/dbraw/zinc/72/55/19/876725519.db2.gz UDYIOWPUEFHAJO-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001379911447 878297658 /nfs/dbraw/zinc/29/76/58/878297658.db2.gz GETIZWOAXJQGKY-INIZCTEOSA-N 2 2 323.400 1.508 20 30 DDEDLP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185689 878794460 /nfs/dbraw/zinc/79/44/60/878794460.db2.gz IZLMGNVBLARTDI-STQMWFEESA-N 2 2 303.397 1.811 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099253 880250221 /nfs/dbraw/zinc/25/02/21/880250221.db2.gz YDIRQENIJFFISV-BZUAXINKSA-N 2 2 302.422 1.771 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099253 880250229 /nfs/dbraw/zinc/25/02/29/880250229.db2.gz YDIRQENIJFFISV-BZUAXINKSA-N 2 2 302.422 1.771 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001228076252 883323146 /nfs/dbraw/zinc/32/31/46/883323146.db2.gz WCKYUZJMELDPSO-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145343 889842509 /nfs/dbraw/zinc/84/25/09/889842509.db2.gz BFLHEUSMAKMUKT-RLFYNMQTSA-N 2 2 316.449 1.355 20 30 DDEDLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145343 889842515 /nfs/dbraw/zinc/84/25/15/889842515.db2.gz BFLHEUSMAKMUKT-RLFYNMQTSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145343 889842519 /nfs/dbraw/zinc/84/25/19/889842519.db2.gz BFLHEUSMAKMUKT-RLFYNMQTSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)C1 ZINC001278145343 889842522 /nfs/dbraw/zinc/84/25/22/889842522.db2.gz BFLHEUSMAKMUKT-RLFYNMQTSA-N 2 2 316.449 1.355 20 30 DDEDLP C#CCC[NH+]1CCC(C)(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001278618178 894512479 /nfs/dbraw/zinc/51/24/79/894512479.db2.gz QSDLDUYVIRDKJT-UHFFFAOYSA-N 2 2 316.449 1.594 20 30 DDEDLP C=CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001252490977 895211208 /nfs/dbraw/zinc/21/12/08/895211208.db2.gz DXIUEWBSYMXSHR-OALUTQOASA-N 2 2 318.461 1.847 20 30 DDEDLP C=CCOC[C@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252492851 895213190 /nfs/dbraw/zinc/21/31/90/895213190.db2.gz MJPZKFWHEQCOBB-MRXNPFEDSA-N 2 2 305.422 1.451 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001252550034 895265587 /nfs/dbraw/zinc/26/55/87/895265587.db2.gz JEWFIUKEKZHMJD-QGZVFWFLSA-N 2 2 318.465 1.788 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001252550034 895265600 /nfs/dbraw/zinc/26/56/00/895265600.db2.gz JEWFIUKEKZHMJD-QGZVFWFLSA-N 2 2 318.465 1.788 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278681914 895442094 /nfs/dbraw/zinc/44/20/94/895442094.db2.gz NXOIKCOXMLDGBU-KRWDZBQOSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001278681914 895442100 /nfs/dbraw/zinc/44/21/00/895442100.db2.gz NXOIKCOXMLDGBU-KRWDZBQOSA-N 2 2 320.437 1.373 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001388761545 895844587 /nfs/dbraw/zinc/84/45/87/895844587.db2.gz VFEOFRXTFUFYLU-QWHCGFSZSA-N 2 2 310.829 1.590 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255685510 897090948 /nfs/dbraw/zinc/09/09/48/897090948.db2.gz QYCMUEVILXGLJG-YIONKMFJSA-N 2 2 305.422 1.780 20 30 DDEDLP COC(=O)C1(C#N)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255685510 897090959 /nfs/dbraw/zinc/09/09/59/897090959.db2.gz QYCMUEVILXGLJG-YIONKMFJSA-N 2 2 305.422 1.780 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1CC ZINC001278975883 897632450 /nfs/dbraw/zinc/63/24/50/897632450.db2.gz INMOJFZBGTYZSB-QGZVFWFLSA-N 2 2 310.401 1.526 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001390779966 900161638 /nfs/dbraw/zinc/16/16/38/900161638.db2.gz ZFJCMVDTDVNGCD-UHFFFAOYSA-N 2 2 317.861 1.145 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001390779966 900161644 /nfs/dbraw/zinc/16/16/44/900161644.db2.gz ZFJCMVDTDVNGCD-UHFFFAOYSA-N 2 2 317.861 1.145 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805405 900717453 /nfs/dbraw/zinc/71/74/53/900717453.db2.gz PRDNUSBPTGPHJA-INIZCTEOSA-N 2 2 305.466 1.664 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805405 900717466 /nfs/dbraw/zinc/71/74/66/900717466.db2.gz PRDNUSBPTGPHJA-INIZCTEOSA-N 2 2 305.466 1.664 20 30 DDEDLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265489372 902065814 /nfs/dbraw/zinc/06/58/14/902065814.db2.gz CPIZXLVKBIHINX-IYARVYRRSA-N 2 2 322.412 1.562 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001265617920 902209131 /nfs/dbraw/zinc/20/91/31/902209131.db2.gz STQQQGAZWXQUGA-OAHLLOKOSA-N 2 2 310.401 1.799 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cccc(C#N)c1 ZINC001391924449 902913490 /nfs/dbraw/zinc/91/34/90/902913490.db2.gz BQEUKYNVOBEBBE-CYBMUJFWSA-N 2 2 311.389 1.366 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001279250532 903203084 /nfs/dbraw/zinc/20/30/84/903203084.db2.gz XPOZWHUCQOZADS-QQFBHYJXSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001280445456 903687479 /nfs/dbraw/zinc/68/74/79/903687479.db2.gz VPLIWSHLQZFECQ-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282158064 905586320 /nfs/dbraw/zinc/58/63/20/905586320.db2.gz WKDOVDAWVJFBQX-UONOGXRCSA-N 2 2 314.389 1.081 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001284102971 908478512 /nfs/dbraw/zinc/47/85/12/908478512.db2.gz QOBGBVXAFBVQSU-BZUAXINKSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001284658380 909308134 /nfs/dbraw/zinc/30/81/34/909308134.db2.gz WCKTZRHBTAWAKC-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001284658380 909308148 /nfs/dbraw/zinc/30/81/48/909308148.db2.gz WCKTZRHBTAWAKC-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001284725691 909401494 /nfs/dbraw/zinc/40/14/94/909401494.db2.gz CAMJQMHWLLNOLT-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001284725691 909401500 /nfs/dbraw/zinc/40/15/00/909401500.db2.gz CAMJQMHWLLNOLT-CABCVRRESA-N 2 2 316.449 1.828 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CC#N ZINC000459262668 529903997 /nfs/dbraw/zinc/90/39/97/529903997.db2.gz VRYWOZWQUXOZGO-UHFFFAOYSA-N 2 2 323.485 1.594 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CC#N ZINC000459262668 529903998 /nfs/dbraw/zinc/90/39/98/529903998.db2.gz VRYWOZWQUXOZGO-UHFFFAOYSA-N 2 2 323.485 1.594 20 30 DDEDLP C[N@H+](CCOCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100027 529923018 /nfs/dbraw/zinc/92/30/18/529923018.db2.gz FYUFPZSGMDEDRL-GOSISDBHSA-N 2 2 317.433 1.485 20 30 DDEDLP C[N@@H+](CCOCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100027 529923019 /nfs/dbraw/zinc/92/30/19/529923019.db2.gz FYUFPZSGMDEDRL-GOSISDBHSA-N 2 2 317.433 1.485 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000339100027 529923020 /nfs/dbraw/zinc/92/30/20/529923020.db2.gz FYUFPZSGMDEDRL-GOSISDBHSA-N 2 2 317.433 1.485 20 30 DDEDLP C[NH+](CCOCCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000339100027 529923021 /nfs/dbraw/zinc/92/30/21/529923021.db2.gz FYUFPZSGMDEDRL-GOSISDBHSA-N 2 2 317.433 1.485 20 30 DDEDLP Cn1c[nH+]cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272627492 210028054 /nfs/dbraw/zinc/02/80/54/210028054.db2.gz XGOUSIDGEZQBDM-INIZCTEOSA-N 2 2 309.373 1.577 20 30 DDEDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(C#N)o3)ccn2)CC1 ZINC000174274112 198313852 /nfs/dbraw/zinc/31/38/52/198313852.db2.gz OYCAEMTZIZJNDR-UHFFFAOYSA-N 2 2 311.389 1.588 20 30 DDEDLP N#C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@]12C(=O)Nc1ccccc12 ZINC000378445613 283061050 /nfs/dbraw/zinc/06/10/50/283061050.db2.gz SZBTUPJFFNNICA-KDOFPFPSSA-N 2 2 321.384 1.619 20 30 DDEDLP N#C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@]12C(=O)Nc1ccccc12 ZINC000378445613 283061053 /nfs/dbraw/zinc/06/10/53/283061053.db2.gz SZBTUPJFFNNICA-KDOFPFPSSA-N 2 2 321.384 1.619 20 30 DDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000591742885 355375659 /nfs/dbraw/zinc/37/56/59/355375659.db2.gz PZHVLTFTCZJEMY-IRXDYDNUSA-N 2 2 317.433 1.762 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595940235 356715110 /nfs/dbraw/zinc/71/51/10/356715110.db2.gz PGNTZRUFTFKJGG-HNNXBMFYSA-N 2 2 315.421 1.709 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc(C#N)c1 ZINC000596127056 356783385 /nfs/dbraw/zinc/78/33/85/356783385.db2.gz SOELFWBEHPDAGL-UHFFFAOYSA-N 2 2 317.437 1.241 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc(C#N)c1 ZINC000596127056 356783386 /nfs/dbraw/zinc/78/33/86/356783386.db2.gz SOELFWBEHPDAGL-UHFFFAOYSA-N 2 2 317.437 1.241 20 30 DDEDLP CCC(C#N)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599457031 357945276 /nfs/dbraw/zinc/94/52/76/357945276.db2.gz AHCLPOBNIBPMTL-AWEZNQCLSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC(C#N)(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599457031 357945280 /nfs/dbraw/zinc/94/52/80/357945280.db2.gz AHCLPOBNIBPMTL-AWEZNQCLSA-N 2 2 306.454 1.601 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C#N)CC4(CC4)C3)C2)CC1 ZINC000601158196 358425934 /nfs/dbraw/zinc/42/59/34/358425934.db2.gz OOYVQSCBIVMLCL-AWEZNQCLSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C#N)CC4(CC4)C3)C2)CC1 ZINC000601158196 358425937 /nfs/dbraw/zinc/42/59/37/358425937.db2.gz OOYVQSCBIVMLCL-AWEZNQCLSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CSCC#N)c2)CC1 ZINC000601807316 358701050 /nfs/dbraw/zinc/70/10/50/358701050.db2.gz SAGRLRIRVNOTQX-UHFFFAOYSA-N 2 2 305.407 1.029 20 30 DDEDLP C[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000602863303 359248042 /nfs/dbraw/zinc/24/80/42/359248042.db2.gz MVGYCYHIZRWQLG-HZPDHXFCSA-N 2 2 314.433 1.784 20 30 DDEDLP C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000602867798 359251574 /nfs/dbraw/zinc/25/15/74/359251574.db2.gz DXZFEJMWAOUXKO-ZIAGYGMSSA-N 2 2 301.394 1.010 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611211146 360661246 /nfs/dbraw/zinc/66/12/46/360661246.db2.gz GLNVZJNRBGUBBN-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000611211146 360661251 /nfs/dbraw/zinc/66/12/51/360661251.db2.gz GLNVZJNRBGUBBN-YJBOKZPZSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000611588142 360769650 /nfs/dbraw/zinc/76/96/50/360769650.db2.gz VDMUNFGJWNJVEE-GFCCVEGCSA-N 2 2 304.369 1.122 20 30 DDEDLP C[C@H]1C[NH+](CCOC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343568166 223322481 /nfs/dbraw/zinc/32/24/81/223322481.db2.gz ZAWFWDUANOQZPM-HOTGVXAUSA-N 2 2 321.465 1.880 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CCC(CC)([NH+]3CCOCC3)CC2)C1=O ZINC000626089532 367333193 /nfs/dbraw/zinc/33/31/93/367333193.db2.gz UUSHNTWQBCTLBP-INIZCTEOSA-N 2 2 321.465 1.350 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348264941 223382126 /nfs/dbraw/zinc/38/21/26/223382126.db2.gz CEZSYSOJAQQCDM-ZBFHGGJFSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348264941 223382128 /nfs/dbraw/zinc/38/21/28/223382128.db2.gz CEZSYSOJAQQCDM-ZBFHGGJFSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348264941 223382130 /nfs/dbraw/zinc/38/21/30/223382130.db2.gz CEZSYSOJAQQCDM-ZBFHGGJFSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348264941 223382132 /nfs/dbraw/zinc/38/21/32/223382132.db2.gz CEZSYSOJAQQCDM-ZBFHGGJFSA-N 2 2 306.454 1.411 20 30 DDEDLP C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262634942 203359067 /nfs/dbraw/zinc/35/90/67/203359067.db2.gz MJTAXUAWUBXDAS-PBHICJAKSA-N 2 2 312.417 1.882 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccc(C#N)c1 ZINC000341122430 251393465 /nfs/dbraw/zinc/39/34/65/251393465.db2.gz GBJJFSDWCXMEAA-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccc(C#N)c1 ZINC000341122430 251393468 /nfs/dbraw/zinc/39/34/68/251393468.db2.gz GBJJFSDWCXMEAA-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C#N)ncn3)CC2)CC1 ZINC000567885603 304251640 /nfs/dbraw/zinc/25/16/40/304251640.db2.gz IBOIUYBNUBLRGG-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C#N)ncn3)CC2)CC1 ZINC000567885603 304251643 /nfs/dbraw/zinc/25/16/43/304251643.db2.gz IBOIUYBNUBLRGG-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000120802646 195241155 /nfs/dbraw/zinc/24/11/55/195241155.db2.gz GIYZVQPKFQFRIS-HNNXBMFYSA-N 2 2 314.433 1.715 20 30 DDEDLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000120802646 195241158 /nfs/dbraw/zinc/24/11/58/195241158.db2.gz GIYZVQPKFQFRIS-HNNXBMFYSA-N 2 2 314.433 1.715 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475040 285396246 /nfs/dbraw/zinc/39/62/46/285396246.db2.gz LEBJLWGJCFXGGZ-UKPHBRMFSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475040 285396248 /nfs/dbraw/zinc/39/62/48/285396248.db2.gz LEBJLWGJCFXGGZ-UKPHBRMFSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475040 285396249 /nfs/dbraw/zinc/39/62/49/285396249.db2.gz LEBJLWGJCFXGGZ-UKPHBRMFSA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1C ZINC000331475040 285396250 /nfs/dbraw/zinc/39/62/50/285396250.db2.gz LEBJLWGJCFXGGZ-UKPHBRMFSA-N 2 2 306.454 1.599 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823871 /nfs/dbraw/zinc/82/38/71/422823871.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823874 /nfs/dbraw/zinc/82/38/74/422823874.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823881 /nfs/dbraw/zinc/82/38/81/422823881.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 2 2 317.433 1.462 20 30 DDEDLP C[N@@H+](CC(=O)NCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110204 406956049 /nfs/dbraw/zinc/95/60/49/406956049.db2.gz QQOFCKNCZXKETJ-MRXNPFEDSA-N 2 2 300.406 1.080 20 30 DDEDLP C[N@H+](CC(=O)NCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110204 406956051 /nfs/dbraw/zinc/95/60/51/406956051.db2.gz QQOFCKNCZXKETJ-MRXNPFEDSA-N 2 2 300.406 1.080 20 30 DDEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110204 406956053 /nfs/dbraw/zinc/95/60/53/406956053.db2.gz QQOFCKNCZXKETJ-MRXNPFEDSA-N 2 2 300.406 1.080 20 30 DDEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110204 406956056 /nfs/dbraw/zinc/95/60/56/406956056.db2.gz QQOFCKNCZXKETJ-MRXNPFEDSA-N 2 2 300.406 1.080 20 30 DDEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)C2 ZINC000123537636 407331192 /nfs/dbraw/zinc/33/11/92/407331192.db2.gz GXMOBCZAAFNKOC-CQSZACIVSA-N 2 2 306.373 1.816 20 30 DDEDLP C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261965027 407696327 /nfs/dbraw/zinc/69/63/27/407696327.db2.gz LEVRYHZQNWJCJF-SWLSCSKDSA-N 2 2 315.425 1.573 20 30 DDEDLP C#CCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000174107842 407914670 /nfs/dbraw/zinc/91/46/70/407914670.db2.gz ZFMWOIPGCPLLQQ-UHFFFAOYSA-N 2 2 306.454 1.258 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136095841 408077002 /nfs/dbraw/zinc/07/70/02/408077002.db2.gz CUKYTYBKNGUGKA-CVEARBPZSA-N 2 2 302.422 1.967 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136095841 408077008 /nfs/dbraw/zinc/07/70/08/408077008.db2.gz CUKYTYBKNGUGKA-CVEARBPZSA-N 2 2 302.422 1.967 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192041647 163213514 /nfs/dbraw/zinc/21/35/14/163213514.db2.gz HQDJZJWPJKKVED-HNNXBMFYSA-N 2 2 303.381 1.851 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000192041647 163213516 /nfs/dbraw/zinc/21/35/16/163213516.db2.gz HQDJZJWPJKKVED-HNNXBMFYSA-N 2 2 303.381 1.851 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000314234373 409822444 /nfs/dbraw/zinc/82/24/44/409822444.db2.gz HGBPQIUUZLIVRV-INIZCTEOSA-N 2 2 303.406 1.324 20 30 DDEDLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000328742305 409970118 /nfs/dbraw/zinc/97/01/18/409970118.db2.gz MVCQGRYNZDBGKM-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000328742305 409970126 /nfs/dbraw/zinc/97/01/26/409970126.db2.gz MVCQGRYNZDBGKM-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000328742305 409970132 /nfs/dbraw/zinc/97/01/32/409970132.db2.gz MVCQGRYNZDBGKM-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000328742305 409970139 /nfs/dbraw/zinc/97/01/39/409970139.db2.gz MVCQGRYNZDBGKM-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328865912 409994920 /nfs/dbraw/zinc/99/49/20/409994920.db2.gz NNJWQRUHAYCFNJ-HUUCEWRRSA-N 2 2 319.453 1.998 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328865912 409994926 /nfs/dbraw/zinc/99/49/26/409994926.db2.gz NNJWQRUHAYCFNJ-HUUCEWRRSA-N 2 2 319.453 1.998 20 30 DDEDLP C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298720405 410367534 /nfs/dbraw/zinc/36/75/34/410367534.db2.gz BCXQVQXHNGYMRU-MRXNPFEDSA-N 2 2 319.449 1.863 20 30 DDEDLP C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000298720405 410367537 /nfs/dbraw/zinc/36/75/37/410367537.db2.gz BCXQVQXHNGYMRU-MRXNPFEDSA-N 2 2 319.449 1.863 20 30 DDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000353425926 410977612 /nfs/dbraw/zinc/97/76/12/410977612.db2.gz KNVYVZWSDLXIMP-IRXDYDNUSA-N 2 2 312.417 1.475 20 30 DDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000353425926 410977617 /nfs/dbraw/zinc/97/76/17/410977617.db2.gz KNVYVZWSDLXIMP-IRXDYDNUSA-N 2 2 312.417 1.475 20 30 DDEDLP C[NH+]=C(NCc1cccn1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261990747 222267461 /nfs/dbraw/zinc/26/74/61/222267461.db2.gz REFJJBKYKCKEQL-GDBMZVCRSA-N 2 2 314.437 1.880 20 30 DDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCCO1 ZINC000261889631 222261293 /nfs/dbraw/zinc/26/12/93/222261293.db2.gz SUTXLXJCSLYFOC-ZDUSSCGKSA-N 2 2 317.368 1.595 20 30 DDEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262944483 222298929 /nfs/dbraw/zinc/29/89/29/222298929.db2.gz AQNLBOHUINIMLY-UHFFFAOYSA-N 2 2 316.384 1.159 20 30 DDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCN(C)CC1 ZINC000264107374 222318743 /nfs/dbraw/zinc/31/87/43/222318743.db2.gz OBHLBIAJEZDYJR-MRXNPFEDSA-N 2 2 303.454 1.685 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)cs3)C2)CC1 ZINC000370316404 418742526 /nfs/dbraw/zinc/74/25/26/418742526.db2.gz NVRCEWXHQIEABU-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)cs3)C2)CC1 ZINC000370316404 418742528 /nfs/dbraw/zinc/74/25/28/418742528.db2.gz NVRCEWXHQIEABU-CYBMUJFWSA-N 2 2 318.446 1.518 20 30 DDEDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204811 418766965 /nfs/dbraw/zinc/76/69/65/418766965.db2.gz KHDAPIYWCCPJBG-HOTGVXAUSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204811 418766967 /nfs/dbraw/zinc/76/69/67/418766967.db2.gz KHDAPIYWCCPJBG-HOTGVXAUSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(C)(C)C#N ZINC000371204811 418766968 /nfs/dbraw/zinc/76/69/68/418766968.db2.gz KHDAPIYWCCPJBG-HOTGVXAUSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(C)(C)C#N ZINC000371204811 418766969 /nfs/dbraw/zinc/76/69/69/418766969.db2.gz KHDAPIYWCCPJBG-HOTGVXAUSA-N 2 2 308.470 1.263 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364743553 418807766 /nfs/dbraw/zinc/80/77/66/418807766.db2.gz RRFHNVCODBQLHG-SJORKVTESA-N 2 2 305.466 1.712 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364743553 418807768 /nfs/dbraw/zinc/80/77/68/418807768.db2.gz RRFHNVCODBQLHG-SJORKVTESA-N 2 2 305.466 1.712 20 30 DDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365279470 418848987 /nfs/dbraw/zinc/84/89/87/418848987.db2.gz YQWPCJXTINOEFZ-UYAOXDASSA-N 2 2 311.473 1.996 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365279470 418848989 /nfs/dbraw/zinc/84/89/89/418848989.db2.gz YQWPCJXTINOEFZ-UYAOXDASSA-N 2 2 311.473 1.996 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441042236 420627675 /nfs/dbraw/zinc/62/76/75/420627675.db2.gz DTNAPAQKLRKVIH-MRXNPFEDSA-N 2 2 322.497 1.168 20 30 DDEDLP C=C(C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000454460833 420862126 /nfs/dbraw/zinc/86/21/26/420862126.db2.gz REKUDMZAVZEOCI-UHFFFAOYSA-N 2 2 308.470 1.810 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000454547482 420880214 /nfs/dbraw/zinc/88/02/14/420880214.db2.gz OXICVWGJYNOAKX-CYBMUJFWSA-N 2 2 305.426 1.914 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000571539562 421724767 /nfs/dbraw/zinc/72/47/67/421724767.db2.gz YCEOSTMTOJJXFW-UHFFFAOYSA-N 2 2 314.437 1.343 20 30 DDEDLP C=CCC[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573206633 421930799 /nfs/dbraw/zinc/93/07/99/421930799.db2.gz HRZDVJOTTGNNFX-CVEARBPZSA-N 2 2 317.433 1.931 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935057 422221473 /nfs/dbraw/zinc/22/14/73/422221473.db2.gz MQTHLUBFHFHRGW-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935057 422221477 /nfs/dbraw/zinc/22/14/77/422221477.db2.gz MQTHLUBFHFHRGW-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935057 422221482 /nfs/dbraw/zinc/22/14/82/422221482.db2.gz MQTHLUBFHFHRGW-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC[C@H]21 ZINC000583935057 422221486 /nfs/dbraw/zinc/22/14/86/422221486.db2.gz MQTHLUBFHFHRGW-GDBMZVCRSA-N 2 2 310.405 1.517 20 30 DDEDLP C=CC[C@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662682773 424733631 /nfs/dbraw/zinc/73/36/31/424733631.db2.gz UWLWGVBUIQNREY-GOSISDBHSA-N 2 2 314.433 1.865 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000535316658 303346216 /nfs/dbraw/zinc/34/62/16/303346216.db2.gz PJDNIDHYICDXAH-LBPRGKRZSA-N 2 2 315.402 1.781 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000535316658 303346217 /nfs/dbraw/zinc/34/62/17/303346217.db2.gz PJDNIDHYICDXAH-LBPRGKRZSA-N 2 2 315.402 1.781 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303643 484793192 /nfs/dbraw/zinc/79/31/92/484793192.db2.gz IMWKVGZTIZZAPJ-DOTOQJQBSA-N 2 2 321.465 1.418 20 30 DDEDLP C=CC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661377502 485078194 /nfs/dbraw/zinc/07/81/94/485078194.db2.gz OKTMLWRLMZCECA-INIZCTEOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661377502 485078200 /nfs/dbraw/zinc/07/82/00/485078200.db2.gz OKTMLWRLMZCECA-INIZCTEOSA-N 2 2 323.481 1.502 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(OC(C)(C)C)C2)CC1 ZINC000491264435 526947345 /nfs/dbraw/zinc/94/73/45/526947345.db2.gz GOMFTDSBFVNLCS-UHFFFAOYSA-N 2 2 321.465 1.042 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CC(OC(C)(C)C)C2)CC1 ZINC000491264435 526947349 /nfs/dbraw/zinc/94/73/49/526947349.db2.gz GOMFTDSBFVNLCS-UHFFFAOYSA-N 2 2 321.465 1.042 20 30 DDEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000491274736 527409964 /nfs/dbraw/zinc/40/99/64/527409964.db2.gz ALHJHBOBKNBONY-KRWDZBQOSA-N 2 2 307.482 1.421 20 30 DDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)C ZINC000491274736 527409968 /nfs/dbraw/zinc/40/99/68/527409968.db2.gz ALHJHBOBKNBONY-KRWDZBQOSA-N 2 2 307.482 1.421 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000329678976 528985734 /nfs/dbraw/zinc/98/57/34/528985734.db2.gz XGSLVIGGCUIGQE-CQSZACIVSA-N 2 2 315.483 1.225 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000329678976 528985737 /nfs/dbraw/zinc/98/57/37/528985737.db2.gz XGSLVIGGCUIGQE-CQSZACIVSA-N 2 2 315.483 1.225 20 30 DDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429276 695249013 /nfs/dbraw/zinc/24/90/13/695249013.db2.gz BOLZWNYUQYZEPD-QGZVFWFLSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429276 695249014 /nfs/dbraw/zinc/24/90/14/695249014.db2.gz BOLZWNYUQYZEPD-QGZVFWFLSA-N 2 2 323.400 1.557 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751200 695726350 /nfs/dbraw/zinc/72/63/50/695726350.db2.gz KBJCLUJFUIFAAE-UKRRQHHQSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751200 695726352 /nfs/dbraw/zinc/72/63/52/695726352.db2.gz KBJCLUJFUIFAAE-UKRRQHHQSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000978939662 696477810 /nfs/dbraw/zinc/47/78/10/696477810.db2.gz IRPBTUXHDPPBEB-PHZGNYQRSA-N 2 2 323.400 1.361 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000978939662 696477811 /nfs/dbraw/zinc/47/78/11/696477811.db2.gz IRPBTUXHDPPBEB-PHZGNYQRSA-N 2 2 323.400 1.361 20 30 DDEDLP Cc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+](C)C)cc1 ZINC000104176107 696619379 /nfs/dbraw/zinc/61/93/79/696619379.db2.gz ILWIRSOOKPXUKR-OAHLLOKOSA-N 2 2 306.479 1.961 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982131083 697037648 /nfs/dbraw/zinc/03/76/48/697037648.db2.gz QTMGFPBOJZJTCO-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000982131083 697037649 /nfs/dbraw/zinc/03/76/49/697037649.db2.gz QTMGFPBOJZJTCO-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986296642 697770524 /nfs/dbraw/zinc/77/05/24/697770524.db2.gz SAYHHLIDTCFLOS-DZGCQCFKSA-N 2 2 302.422 1.527 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000989040311 698523923 /nfs/dbraw/zinc/52/39/23/698523923.db2.gz HHHIYRVSWXBIFI-UKRRQHHQSA-N 2 2 303.406 1.788 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000989826742 698784292 /nfs/dbraw/zinc/78/42/92/698784292.db2.gz SMSNLSRTHCFAIE-UKRRQHHQSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000989826742 698784293 /nfs/dbraw/zinc/78/42/93/698784293.db2.gz SMSNLSRTHCFAIE-UKRRQHHQSA-N 2 2 319.474 1.871 20 30 DDEDLP C#C[C@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000852098749 703922655 /nfs/dbraw/zinc/92/26/55/703922655.db2.gz UYGPWSSPFYLNRT-QGZVFWFLSA-N 2 2 319.474 1.784 20 30 DDEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824368438 705437839 /nfs/dbraw/zinc/43/78/39/705437839.db2.gz SBZUIMVYNMKTKY-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP C#CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000826051866 705764466 /nfs/dbraw/zinc/76/44/66/705764466.db2.gz IJJBNKCWIMKMTH-MRXNPFEDSA-N 2 2 318.465 1.210 20 30 DDEDLP C#CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000826051866 705764469 /nfs/dbraw/zinc/76/44/69/705764469.db2.gz IJJBNKCWIMKMTH-MRXNPFEDSA-N 2 2 318.465 1.210 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000903063363 711020814 /nfs/dbraw/zinc/02/08/14/711020814.db2.gz CGJOAXSIAQUXEF-SJORKVTESA-N 2 2 314.433 1.939 20 30 DDEDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000903063363 711020818 /nfs/dbraw/zinc/02/08/18/711020818.db2.gz CGJOAXSIAQUXEF-SJORKVTESA-N 2 2 314.433 1.939 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000894863783 711301395 /nfs/dbraw/zinc/30/13/95/711301395.db2.gz SETOWFMMOYHJJE-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000894863783 711301398 /nfs/dbraw/zinc/30/13/98/711301398.db2.gz SETOWFMMOYHJJE-UHFFFAOYSA-N 2 2 307.350 1.354 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000922398272 714042158 /nfs/dbraw/zinc/04/21/58/714042158.db2.gz UQYIHERJFAHLDI-UHFFFAOYSA-N 2 2 315.421 1.116 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000931730962 714171190 /nfs/dbraw/zinc/17/11/90/714171190.db2.gz UGGUUDNZNHAWKT-GVDBMIGSSA-N 2 2 315.417 1.466 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000931730962 714171193 /nfs/dbraw/zinc/17/11/93/714171193.db2.gz UGGUUDNZNHAWKT-GVDBMIGSSA-N 2 2 315.417 1.466 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000931730962 714171195 /nfs/dbraw/zinc/17/11/95/714171195.db2.gz UGGUUDNZNHAWKT-GVDBMIGSSA-N 2 2 315.417 1.466 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000931730962 714171197 /nfs/dbraw/zinc/17/11/97/714171197.db2.gz UGGUUDNZNHAWKT-GVDBMIGSSA-N 2 2 315.417 1.466 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941165982 717119816 /nfs/dbraw/zinc/11/98/16/717119816.db2.gz CKHSUOFPBWPKBS-HNNXBMFYSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941165982 717119818 /nfs/dbraw/zinc/11/98/18/717119818.db2.gz CKHSUOFPBWPKBS-HNNXBMFYSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296508 717730498 /nfs/dbraw/zinc/73/04/98/717730498.db2.gz DOZAQDMPMVEMHC-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296508 717730503 /nfs/dbraw/zinc/73/05/03/717730503.db2.gz DOZAQDMPMVEMHC-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376991 719543125 /nfs/dbraw/zinc/54/31/25/719543125.db2.gz CVIJPTCMNUQBEW-GJZGRUSLSA-N 2 2 302.422 1.466 20 30 DDEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376991 719543128 /nfs/dbraw/zinc/54/31/28/719543128.db2.gz CVIJPTCMNUQBEW-GJZGRUSLSA-N 2 2 302.422 1.466 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898281 719773330 /nfs/dbraw/zinc/77/33/30/719773330.db2.gz HBTZZIOUUOYEJE-ZWKOTPCHSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948898281 719773333 /nfs/dbraw/zinc/77/33/33/719773333.db2.gz HBTZZIOUUOYEJE-ZWKOTPCHSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898281 719773335 /nfs/dbraw/zinc/77/33/35/719773335.db2.gz HBTZZIOUUOYEJE-ZWKOTPCHSA-N 2 2 313.445 1.982 20 30 DDEDLP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948898281 719773341 /nfs/dbraw/zinc/77/33/41/719773341.db2.gz HBTZZIOUUOYEJE-ZWKOTPCHSA-N 2 2 313.445 1.982 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968896169 719849662 /nfs/dbraw/zinc/84/96/62/719849662.db2.gz LCCWXBQIQSIMHO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000968896169 719849667 /nfs/dbraw/zinc/84/96/67/719849667.db2.gz LCCWXBQIQSIMHO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000968896169 719849671 /nfs/dbraw/zinc/84/96/71/719849671.db2.gz LCCWXBQIQSIMHO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000968896169 719849675 /nfs/dbraw/zinc/84/96/75/719849675.db2.gz LCCWXBQIQSIMHO-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022661 719928154 /nfs/dbraw/zinc/92/81/54/719928154.db2.gz GWVJCCPZWSCVHF-HUUCEWRRSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979871 720583775 /nfs/dbraw/zinc/58/37/75/720583775.db2.gz JTUKTQQRRAACFD-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000970130441 720637231 /nfs/dbraw/zinc/63/72/31/720637231.db2.gz IBJQITOCKGHXQD-CQSZACIVSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444010 721450151 /nfs/dbraw/zinc/45/01/51/721450151.db2.gz GSGPIIIPMWOLQT-DOTOQJQBSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444010 721450155 /nfs/dbraw/zinc/45/01/55/721450155.db2.gz GSGPIIIPMWOLQT-DOTOQJQBSA-N 2 2 303.450 1.559 20 30 DDEDLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001209835489 732824365 /nfs/dbraw/zinc/82/43/65/732824365.db2.gz BXWUCIZDMNRXFO-QGZVFWFLSA-N 2 2 322.412 1.585 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021574697 733330564 /nfs/dbraw/zinc/33/05/64/733330564.db2.gz DFFHUWWZZRZLGW-HUUCEWRRSA-N 2 2 300.406 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303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001029342462 740582109 /nfs/dbraw/zinc/58/21/09/740582109.db2.gz PWQYPNKUUMNFII-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001029342462 740582112 /nfs/dbraw/zinc/58/21/12/740582112.db2.gz PWQYPNKUUMNFII-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1CC ZINC001087607352 740674769 /nfs/dbraw/zinc/67/47/69/740674769.db2.gz ZENARAHXHNGKDY-KSZLIROESA-N 2 2 317.477 1.853 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001087607352 740674772 /nfs/dbraw/zinc/67/47/72/740674772.db2.gz ZENARAHXHNGKDY-KSZLIROESA-N 2 2 317.477 1.853 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1CC ZINC001087607352 740674774 /nfs/dbraw/zinc/67/47/74/740674774.db2.gz ZENARAHXHNGKDY-KSZLIROESA-N 2 2 317.477 1.853 20 30 DDEDLP 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NPYFMCZUHFNSLM-SQNIBIBYSA-N 2 2 324.428 1.295 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032781920 753637250 /nfs/dbraw/zinc/63/72/50/753637250.db2.gz NPYFMCZUHFNSLM-SQNIBIBYSA-N 2 2 324.428 1.295 20 30 DDEDLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032781920 753637257 /nfs/dbraw/zinc/63/72/57/753637257.db2.gz NPYFMCZUHFNSLM-SQNIBIBYSA-N 2 2 324.428 1.295 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078656568 754254215 /nfs/dbraw/zinc/25/42/15/754254215.db2.gz KLXOMFBUAHBURJ-CVEARBPZSA-N 2 2 315.417 1.836 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001540118 754389043 /nfs/dbraw/zinc/38/90/43/754389043.db2.gz ABQPBYQHDKVCDA-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080011742 755682529 /nfs/dbraw/zinc/68/25/29/755682529.db2.gz JKUHUSTXSFEQBE-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080011742 755682531 /nfs/dbraw/zinc/68/25/31/755682531.db2.gz JKUHUSTXSFEQBE-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084524698 757637743 /nfs/dbraw/zinc/63/77/43/757637743.db2.gz HNSCROOBYQFPLT-RHSMWYFYSA-N 2 2 314.433 1.481 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084524698 757637751 /nfs/dbraw/zinc/63/77/51/757637751.db2.gz HNSCROOBYQFPLT-RHSMWYFYSA-N 2 2 314.433 1.481 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084776403 757899042 /nfs/dbraw/zinc/89/90/42/757899042.db2.gz XXSOBDQSHKJWSY-ZIAGYGMSSA-N 2 2 300.406 1.243 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084776403 757899048 /nfs/dbraw/zinc/89/90/48/757899048.db2.gz XXSOBDQSHKJWSY-ZIAGYGMSSA-N 2 2 300.406 1.243 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611728 758080094 /nfs/dbraw/zinc/08/00/94/758080094.db2.gz XBMQRIARZAWXIG-ZACQAIPSSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611728 758080100 /nfs/dbraw/zinc/08/01/00/758080100.db2.gz XBMQRIARZAWXIG-ZACQAIPSSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611728 758080106 /nfs/dbraw/zinc/08/01/06/758080106.db2.gz XBMQRIARZAWXIG-ZACQAIPSSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611728 758080109 /nfs/dbraw/zinc/08/01/09/758080109.db2.gz XBMQRIARZAWXIG-ZACQAIPSSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963278 758103068 /nfs/dbraw/zinc/10/30/68/758103068.db2.gz JPOAHQJQQJCPFL-ANQUJSFKSA-N 2 2 312.417 1.459 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC001084963278 758103075 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/nfs/dbraw/zinc/12/79/53/758127953.db2.gz VDMZTSCTFSSFAA-FJIDUMEYSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659530 758127955 /nfs/dbraw/zinc/12/79/55/758127955.db2.gz VDMZTSCTFSSFAA-FJIDUMEYSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017835005 758284610 /nfs/dbraw/zinc/28/46/10/758284610.db2.gz BTXNINDSLUDXDP-KURKYZTESA-N 2 2 317.477 1.807 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017835005 758284617 /nfs/dbraw/zinc/28/46/17/758284617.db2.gz BTXNINDSLUDXDP-KURKYZTESA-N 2 2 317.477 1.807 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835005 758284623 /nfs/dbraw/zinc/28/46/23/758284623.db2.gz BTXNINDSLUDXDP-KURKYZTESA-N 2 2 317.477 1.807 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835005 758284629 /nfs/dbraw/zinc/28/46/29/758284629.db2.gz BTXNINDSLUDXDP-KURKYZTESA-N 2 2 317.477 1.807 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001053429172 758455195 /nfs/dbraw/zinc/45/51/95/758455195.db2.gz HPTMPDNYQVFGDM-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001053429172 758455202 /nfs/dbraw/zinc/45/52/02/758455202.db2.gz HPTMPDNYQVFGDM-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685159 760010100 /nfs/dbraw/zinc/01/01/00/760010100.db2.gz KLBWNSBAQQYGHA-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685159 760010111 /nfs/dbraw/zinc/01/01/11/760010111.db2.gz KLBWNSBAQQYGHA-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788537 760243815 /nfs/dbraw/zinc/24/38/15/760243815.db2.gz MYFRGVXZULWGMN-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788537 760243821 /nfs/dbraw/zinc/24/38/21/760243821.db2.gz MYFRGVXZULWGMN-OAHLLOKOSA-N 2 2 303.406 1.511 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086406220 761555940 /nfs/dbraw/zinc/55/59/40/761555940.db2.gz DHCAKLCQWDTUCR-RBSFLKMASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211757 761843007 /nfs/dbraw/zinc/84/30/07/761843007.db2.gz UYQLQRAPVIMJMO-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211757 761843019 /nfs/dbraw/zinc/84/30/19/761843019.db2.gz UYQLQRAPVIMJMO-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211757 761843026 /nfs/dbraw/zinc/84/30/26/761843026.db2.gz UYQLQRAPVIMJMO-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211757 761843041 /nfs/dbraw/zinc/84/30/41/761843041.db2.gz UYQLQRAPVIMJMO-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429936 763025985 /nfs/dbraw/zinc/02/59/85/763025985.db2.gz YNFDTRDFAAROMV-QGZVFWFLSA-N 2 2 318.421 1.460 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001041429936 763025990 /nfs/dbraw/zinc/02/59/90/763025990.db2.gz YNFDTRDFAAROMV-QGZVFWFLSA-N 2 2 318.421 1.460 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041718713 763248308 /nfs/dbraw/zinc/24/83/08/763248308.db2.gz ZAGJVVBLYUKJQO-WMZOPIPTSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041718713 763248319 /nfs/dbraw/zinc/24/83/19/763248319.db2.gz ZAGJVVBLYUKJQO-WMZOPIPTSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042176658 763741636 /nfs/dbraw/zinc/74/16/36/763741636.db2.gz PTVHMYDGPHJTOB-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042176658 763741642 /nfs/dbraw/zinc/74/16/42/763741642.db2.gz PTVHMYDGPHJTOB-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042332949 763927897 /nfs/dbraw/zinc/92/78/97/763927897.db2.gz LSSUUKGQZBINHA-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042332949 763927908 /nfs/dbraw/zinc/92/79/08/763927908.db2.gz LSSUUKGQZBINHA-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086532501 764219580 /nfs/dbraw/zinc/21/95/80/764219580.db2.gz XPLFLCNIHNDULO-HDJSIYSDSA-N 2 2 311.389 1.551 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001042963511 764554798 /nfs/dbraw/zinc/55/47/98/764554798.db2.gz RHQXNZZVLGQQCV-DQPZFDDXSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001042963511 764554804 /nfs/dbraw/zinc/55/48/04/764554804.db2.gz RHQXNZZVLGQQCV-DQPZFDDXSA-N 2 2 303.450 1.273 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001045483710 766340584 /nfs/dbraw/zinc/34/05/84/766340584.db2.gz OQQHOKMBUVJXAO-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001045483710 766340595 /nfs/dbraw/zinc/34/05/95/766340595.db2.gz OQQHOKMBUVJXAO-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130006362 767150664 /nfs/dbraw/zinc/15/06/64/767150664.db2.gz DXXNVTIMQSCRMJ-HNNXBMFYSA-N 2 2 308.426 1.379 20 30 DDEDLP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481322 767557518 /nfs/dbraw/zinc/55/75/18/767557518.db2.gz PRUWFHABMIRZEZ-KRWDZBQOSA-N 2 2 322.412 1.203 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457738 768876665 /nfs/dbraw/zinc/87/66/65/768876665.db2.gz MLGIKPQBAVUHLK-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132457738 768876677 /nfs/dbraw/zinc/87/66/77/768876677.db2.gz MLGIKPQBAVUHLK-HUUCEWRRSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541571 768957276 /nfs/dbraw/zinc/95/72/76/768957276.db2.gz HLWJMCVCTBUSKB-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541571 768957278 /nfs/dbraw/zinc/95/72/78/768957278.db2.gz HLWJMCVCTBUSKB-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541571 768957281 /nfs/dbraw/zinc/95/72/81/768957281.db2.gz HLWJMCVCTBUSKB-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541571 768957287 /nfs/dbraw/zinc/95/72/87/768957287.db2.gz HLWJMCVCTBUSKB-SJLPKXTDSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625437 771029085 /nfs/dbraw/zinc/02/90/85/771029085.db2.gz KSHFDEMTUQYDRL-JKSUJKDBSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049625437 771029090 /nfs/dbraw/zinc/02/90/90/771029090.db2.gz KSHFDEMTUQYDRL-JKSUJKDBSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049713746 771106484 /nfs/dbraw/zinc/10/64/84/771106484.db2.gz FVBJEOGPYCYVOI-NUEKZKHPSA-N 2 2 312.417 1.528 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001049713746 771106485 /nfs/dbraw/zinc/10/64/85/771106485.db2.gz FVBJEOGPYCYVOI-NUEKZKHPSA-N 2 2 312.417 1.528 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696399 774219302 /nfs/dbraw/zinc/21/93/02/774219302.db2.gz SWNHLACKHMQYRN-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696399 774219305 /nfs/dbraw/zinc/21/93/05/774219305.db2.gz SWNHLACKHMQYRN-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696399 774219310 /nfs/dbraw/zinc/21/93/10/774219310.db2.gz SWNHLACKHMQYRN-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696399 774219312 /nfs/dbraw/zinc/21/93/12/774219312.db2.gz SWNHLACKHMQYRN-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777577 774590908 /nfs/dbraw/zinc/59/09/08/774590908.db2.gz FCZAFMXRDBSXMU-HUUCEWRRSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777577 774590910 /nfs/dbraw/zinc/59/09/10/774590910.db2.gz FCZAFMXRDBSXMU-HUUCEWRRSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907609 774715567 /nfs/dbraw/zinc/71/55/67/774715567.db2.gz GVDIQFGGENSQIY-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001098907609 774715572 /nfs/dbraw/zinc/71/55/72/774715572.db2.gz GVDIQFGGENSQIY-MPGHIAIKSA-N 2 2 312.417 1.049 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001100461005 776186746 /nfs/dbraw/zinc/18/67/46/776186746.db2.gz HPPXFBZLABKYMJ-SLTAFYQDSA-N 2 2 302.422 1.506 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071595 776878408 /nfs/dbraw/zinc/87/84/08/776878408.db2.gz PNANILNMUUXVRF-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676506 778209212 /nfs/dbraw/zinc/20/92/12/778209212.db2.gz VIEPDWBZAXJTTR-MRXNPFEDSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176685725 778211177 /nfs/dbraw/zinc/21/11/77/778211177.db2.gz HZKHLCMXCGZBHL-RDJZCZTQSA-N 2 2 323.481 1.548 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641726 780296897 /nfs/dbraw/zinc/29/68/97/780296897.db2.gz GMZHAYGUAJPYHG-UHFFFAOYSA-N 2 2 316.449 1.785 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC[NH2+]1 ZINC001118571349 781162241 /nfs/dbraw/zinc/16/22/41/781162241.db2.gz CRYMUHFULTWPMQ-YJBOKZPZSA-N 2 2 316.449 1.900 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267184549 837489228 /nfs/dbraw/zinc/48/92/28/837489228.db2.gz AXTPIKSAJODQHS-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267184549 837489232 /nfs/dbraw/zinc/48/92/32/837489232.db2.gz AXTPIKSAJODQHS-AWEZNQCLSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001271783784 844107424 /nfs/dbraw/zinc/10/74/24/844107424.db2.gz GFMDGDUSESYOMW-UHFFFAOYSA-N 2 2 302.422 1.536 20 30 DDEDLP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001271783784 844107430 /nfs/dbraw/zinc/10/74/30/844107430.db2.gz GFMDGDUSESYOMW-UHFFFAOYSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266399297 836205815 /nfs/dbraw/zinc/20/58/15/836205815.db2.gz QTMOVUXUQQZNLK-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266399297 836205821 /nfs/dbraw/zinc/20/58/21/836205821.db2.gz QTMOVUXUQQZNLK-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266745717 836768149 /nfs/dbraw/zinc/76/81/49/836768149.db2.gz HJCRLMOAKLZNKX-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897126 837022155 /nfs/dbraw/zinc/02/21/55/837022155.db2.gz LQHNRPVESRDFOB-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266897126 837022166 /nfs/dbraw/zinc/02/21/66/837022166.db2.gz LQHNRPVESRDFOB-LSDHHAIUSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267020884 837205769 /nfs/dbraw/zinc/20/57/69/837205769.db2.gz ONVAHDHRNMBANK-GJZGRUSLSA-N 2 2 306.410 1.227 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001267545196 838279226 /nfs/dbraw/zinc/27/92/26/838279226.db2.gz POIWTKRNYWNPQH-HNNXBMFYSA-N 2 2 310.401 1.799 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001267545196 838279237 /nfs/dbraw/zinc/27/92/37/838279237.db2.gz POIWTKRNYWNPQH-HNNXBMFYSA-N 2 2 310.401 1.799 20 30 DDEDLP CC#CC[N@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267604520 838422335 /nfs/dbraw/zinc/42/23/35/838422335.db2.gz UDUSXUOYMHUPGA-UHFFFAOYSA-N 2 2 302.422 1.454 20 30 DDEDLP CC#CC[N@@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267604520 838422338 /nfs/dbraw/zinc/42/23/38/838422338.db2.gz UDUSXUOYMHUPGA-UHFFFAOYSA-N 2 2 302.422 1.454 20 30 DDEDLP C=CCOCC[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267661410 838601875 /nfs/dbraw/zinc/60/18/75/838601875.db2.gz AEUJJIAFJLGYPR-UHFFFAOYSA-N 2 2 317.433 1.365 20 30 DDEDLP C=CC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001268222636 839855697 /nfs/dbraw/zinc/85/56/97/839855697.db2.gz ZHFSJWXKEKGVMP-SJORKVTESA-N 2 2 323.481 1.546 20 30 DDEDLP C=CC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001268222636 839855702 /nfs/dbraw/zinc/85/57/02/839855702.db2.gz ZHFSJWXKEKGVMP-SJORKVTESA-N 2 2 323.481 1.546 20 30 DDEDLP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001269622075 841837872 /nfs/dbraw/zinc/83/78/72/841837872.db2.gz AKVCOUKXXUQSCW-KBXCAEBGSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001326386851 861322206 /nfs/dbraw/zinc/32/22/06/861322206.db2.gz LMLRFBGIJZJHPV-MRXNPFEDSA-N 2 2 323.481 1.502 20 30 DDEDLP C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272673945 846568207 /nfs/dbraw/zinc/56/82/07/846568207.db2.gz RRXLWWUOYUWWLT-MRXNPFEDSA-N 2 2 322.412 1.914 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]c(C)n1C ZINC001272773007 847406123 /nfs/dbraw/zinc/40/61/23/847406123.db2.gz ZPDQRPRRJHKEFZ-QGZVFWFLSA-N 2 2 302.422 1.872 20 30 DDEDLP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]c(C)n1C ZINC001272773007 847406131 /nfs/dbraw/zinc/40/61/31/847406131.db2.gz ZPDQRPRRJHKEFZ-QGZVFWFLSA-N 2 2 302.422 1.872 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249650 848156494 /nfs/dbraw/zinc/15/64/94/848156494.db2.gz MMZZSJGEOHBVJM-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249650 848156496 /nfs/dbraw/zinc/15/64/96/848156496.db2.gz MMZZSJGEOHBVJM-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260786 848188380 /nfs/dbraw/zinc/18/83/80/848188380.db2.gz OBTPHJGYJCBKDJ-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260786 848188385 /nfs/dbraw/zinc/18/83/85/848188385.db2.gz OBTPHJGYJCBKDJ-INIZCTEOSA-N 2 2 316.449 1.921 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278074 848236848 /nfs/dbraw/zinc/23/68/48/848236848.db2.gz HKBCHRRDVDNKPK-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278074 848236856 /nfs/dbraw/zinc/23/68/56/848236856.db2.gz HKBCHRRDVDNKPK-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001411261396 850499846 /nfs/dbraw/zinc/49/98/46/850499846.db2.gz MCYCVURQKGRYPX-ZDUSSCGKSA-N 2 2 310.829 1.852 20 30 DDEDLP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275717658 853622680 /nfs/dbraw/zinc/62/26/80/853622680.db2.gz LFVCZQRKYLBBFM-ZIAGYGMSSA-N 2 2 302.422 1.231 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072871599 857827949 /nfs/dbraw/zinc/82/79/49/857827949.db2.gz KJJCWGFLXGZMHL-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072871599 857827956 /nfs/dbraw/zinc/82/79/56/857827956.db2.gz KJJCWGFLXGZMHL-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001328427443 862968255 /nfs/dbraw/zinc/96/82/55/862968255.db2.gz OODPFDXLDGWCSG-AWEZNQCLSA-N 2 2 300.406 1.856 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815409 862986879 /nfs/dbraw/zinc/98/68/79/862986879.db2.gz UUIOPROFQSAWDJ-HOCLYGCPSA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001332592394 865963422 /nfs/dbraw/zinc/96/34/22/865963422.db2.gz RUVGJAPGOHIRIT-CYBMUJFWSA-N 2 2 308.426 1.062 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC001160954512 866218049 /nfs/dbraw/zinc/21/80/49/866218049.db2.gz WHOOFSLMAMLFFL-AWEZNQCLSA-N 2 2 303.410 1.376 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC001160954512 866218055 /nfs/dbraw/zinc/21/80/55/866218055.db2.gz WHOOFSLMAMLFFL-AWEZNQCLSA-N 2 2 303.410 1.376 20 30 DDEDLP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320022314 866432637 /nfs/dbraw/zinc/43/26/37/866432637.db2.gz USFRAJYNUHSIQH-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320022314 866432638 /nfs/dbraw/zinc/43/26/38/866432638.db2.gz USFRAJYNUHSIQH-OAHLLOKOSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323748422 866816151 /nfs/dbraw/zinc/81/61/51/866816151.db2.gz IQLLGZAJXZMWNK-UHFFFAOYSA-N 2 2 320.437 1.468 20 30 DDEDLP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001323748422 866816171 /nfs/dbraw/zinc/81/61/71/866816171.db2.gz IQLLGZAJXZMWNK-UHFFFAOYSA-N 2 2 320.437 1.468 20 30 DDEDLP C=C(Br)C[NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1 ZINC001320855316 867081016 /nfs/dbraw/zinc/08/10/16/867081016.db2.gz WOYXWZWUVJJRAU-UHFFFAOYSA-N 2 2 315.215 1.299 20 30 DDEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001324752195 867499316 /nfs/dbraw/zinc/49/93/16/867499316.db2.gz PNZNOEWCEJZLDN-CRAIPNDOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001325024770 867705420 /nfs/dbraw/zinc/70/54/20/867705420.db2.gz ANHLDRHRUOLTNO-UHFFFAOYSA-N 2 2 306.410 1.173 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001162877216 867891527 /nfs/dbraw/zinc/89/15/27/867891527.db2.gz XAHBHIGEGCUJDF-UHFFFAOYSA-N 2 2 324.428 1.567 20 30 DDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001381608404 882311620 /nfs/dbraw/zinc/31/16/20/882311620.db2.gz YMQJGXADLILGNH-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001381608404 882311633 /nfs/dbraw/zinc/31/16/33/882311633.db2.gz YMQJGXADLILGNH-ZDUSSCGKSA-N 2 2 311.389 1.461 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553327 871625551 /nfs/dbraw/zinc/62/55/51/871625551.db2.gz UMFOKQZXOSKAFA-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCN(CC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001205735639 871763964 /nfs/dbraw/zinc/76/39/64/871763964.db2.gz OUVOHSPCIZYNOY-LBPRGKRZSA-N 2 2 305.369 1.547 20 30 DDEDLP C=CCN(CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)C(=O)OCC ZINC001205735639 871763984 /nfs/dbraw/zinc/76/39/84/871763984.db2.gz OUVOHSPCIZYNOY-LBPRGKRZSA-N 2 2 305.369 1.547 20 30 DDEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCCC#N)[nH+]1 ZINC001319382899 872603828 /nfs/dbraw/zinc/60/38/28/872603828.db2.gz BVDDCTAETMLOPO-AWEZNQCLSA-N 2 2 301.394 1.296 20 30 DDEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCCC#N)[nH+]1 ZINC001319382899 872603832 /nfs/dbraw/zinc/60/38/32/872603832.db2.gz BVDDCTAETMLOPO-AWEZNQCLSA-N 2 2 301.394 1.296 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC=C)C[C@H]1C ZINC001207583578 873404726 /nfs/dbraw/zinc/40/47/26/873404726.db2.gz XWFMIDYYJYNSCQ-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC=C)C[C@H]1C ZINC001207583578 873404729 /nfs/dbraw/zinc/40/47/29/873404729.db2.gz XWFMIDYYJYNSCQ-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001207583578 873404731 /nfs/dbraw/zinc/40/47/31/873404731.db2.gz XWFMIDYYJYNSCQ-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001207583578 873404733 /nfs/dbraw/zinc/40/47/33/873404733.db2.gz XWFMIDYYJYNSCQ-ZACQAIPSSA-N 2 2 303.450 1.487 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084449 873821514 /nfs/dbraw/zinc/82/15/14/873821514.db2.gz OXOWKHCYYMNHSO-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987969 876529449 /nfs/dbraw/zinc/52/94/49/876529449.db2.gz CFRQXKDFYQHCGA-IJEWVQPXSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC001356544948 879093684 /nfs/dbraw/zinc/09/36/84/879093684.db2.gz MCRRELUGQKSMCI-QGZVFWFLSA-N 2 2 306.837 1.931 20 30 DDEDLP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277661874 886348767 /nfs/dbraw/zinc/34/87/67/886348767.db2.gz CIVMLECJCYVQNU-HOCLYGCPSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437377 887970945 /nfs/dbraw/zinc/97/09/45/887970945.db2.gz VSMWVBNWFLJUDH-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437377 887970947 /nfs/dbraw/zinc/97/09/47/887970947.db2.gz VSMWVBNWFLJUDH-INIZCTEOSA-N 2 2 314.433 1.318 20 30 DDEDLP C=CCN1CC[NH+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236895477 889407968 /nfs/dbraw/zinc/40/79/68/889407968.db2.gz BLCQEKOBKVMQHG-UHFFFAOYSA-N 2 2 314.477 1.742 20 30 DDEDLP C=CC[NH+]1CCN(Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236895477 889407972 /nfs/dbraw/zinc/40/79/72/889407972.db2.gz BLCQEKOBKVMQHG-UHFFFAOYSA-N 2 2 314.477 1.742 20 30 DDEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001278120247 889747591 /nfs/dbraw/zinc/74/75/91/889747591.db2.gz STBPAULDVUCVCQ-OAHLLOKOSA-N 2 2 305.422 1.653 20 30 DDEDLP C=CCOC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252483330 895203619 /nfs/dbraw/zinc/20/36/19/895203619.db2.gz SRXSEMKHTXURKF-GOSISDBHSA-N 2 2 320.433 1.172 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549726 895262428 /nfs/dbraw/zinc/26/24/28/895262428.db2.gz HMNOJXDWGAMHTH-BRWVUGGUSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549726 895262439 /nfs/dbraw/zinc/26/24/39/895262439.db2.gz HMNOJXDWGAMHTH-BRWVUGGUSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549726 895262450 /nfs/dbraw/zinc/26/24/50/895262450.db2.gz HMNOJXDWGAMHTH-BRWVUGGUSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549726 895262461 /nfs/dbraw/zinc/26/24/61/895262461.db2.gz HMNOJXDWGAMHTH-BRWVUGGUSA-N 2 2 304.438 1.111 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006656 897797760 /nfs/dbraw/zinc/79/77/60/897797760.db2.gz PGTGFEVEEOVBMN-HOTGVXAUSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001263920927 900817906 /nfs/dbraw/zinc/81/79/06/900817906.db2.gz ADLUYDKQOHCJAL-OWCLPIDISA-N 2 2 302.422 1.732 20 30 DDEDLP CC#CC[N@H+](CC)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265119402 901588056 /nfs/dbraw/zinc/58/80/56/901588056.db2.gz FKFDSDJDEPXWSZ-UHFFFAOYSA-N 2 2 304.438 1.778 20 30 DDEDLP CC#CC[N@@H+](CC)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265119402 901588064 /nfs/dbraw/zinc/58/80/64/901588064.db2.gz FKFDSDJDEPXWSZ-UHFFFAOYSA-N 2 2 304.438 1.778 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001391511886 901883582 /nfs/dbraw/zinc/88/35/82/901883582.db2.gz POIPGQPLFDCEFS-CABCVRRESA-N 2 2 323.868 1.900 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001391511886 901883589 /nfs/dbraw/zinc/88/35/89/901883589.db2.gz POIPGQPLFDCEFS-CABCVRRESA-N 2 2 323.868 1.900 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001265830243 902462032 /nfs/dbraw/zinc/46/20/32/902462032.db2.gz QKSSYXVWFSRGMO-CYBMUJFWSA-N 2 2 314.364 1.237 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265989419 902717748 /nfs/dbraw/zinc/71/77/48/902717748.db2.gz DXVSOCXMQVPIQF-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102064 902944853 /nfs/dbraw/zinc/94/48/53/902944853.db2.gz BRYSQGRHDNQMPH-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102064 902944859 /nfs/dbraw/zinc/94/48/59/902944859.db2.gz BRYSQGRHDNQMPH-JKSUJKDBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279402924 903248979 /nfs/dbraw/zinc/24/89/79/903248979.db2.gz FOZMCBLRKTXYTQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279402924 903248992 /nfs/dbraw/zinc/24/89/92/903248992.db2.gz FOZMCBLRKTXYTQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279402924 903249000 /nfs/dbraw/zinc/24/90/00/903249000.db2.gz FOZMCBLRKTXYTQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279402924 903249007 /nfs/dbraw/zinc/24/90/07/903249007.db2.gz FOZMCBLRKTXYTQ-OAGGEKHMSA-N 2 2 316.449 1.945 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001280218147 903555703 /nfs/dbraw/zinc/55/57/03/903555703.db2.gz BKTHBBZKSIZXPB-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001280218147 903555711 /nfs/dbraw/zinc/55/57/11/903555711.db2.gz BKTHBBZKSIZXPB-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001281778061 905211216 /nfs/dbraw/zinc/21/12/16/905211216.db2.gz XUNCHVDZDDQANL-GOSISDBHSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001281778061 905211236 /nfs/dbraw/zinc/21/12/36/905211236.db2.gz XUNCHVDZDDQANL-GOSISDBHSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001281778061 905211248 /nfs/dbraw/zinc/21/12/48/905211248.db2.gz XUNCHVDZDDQANL-GOSISDBHSA-N 2 2 313.445 1.675 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001281778061 905211261 /nfs/dbraw/zinc/21/12/61/905211261.db2.gz XUNCHVDZDDQANL-GOSISDBHSA-N 2 2 313.445 1.675 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282430856 905778948 /nfs/dbraw/zinc/77/89/48/905778948.db2.gz GFYSLOYSTXCJRL-AWEZNQCLSA-N 2 2 316.405 1.587 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001282430856 905778955 /nfs/dbraw/zinc/77/89/55/905778955.db2.gz GFYSLOYSTXCJRL-AWEZNQCLSA-N 2 2 316.405 1.587 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593383331 355868351 /nfs/dbraw/zinc/86/83/51/355868351.db2.gz FVPVAZNACHBTDA-UHFFFAOYSA-N 2 2 321.469 1.396 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCOCC1 ZINC000600724700 358297198 /nfs/dbraw/zinc/29/71/98/358297198.db2.gz ZECBEGZSHCHKEZ-HZPDHXFCSA-N 2 2 307.438 1.132 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCOCC1 ZINC000600724700 358297200 /nfs/dbraw/zinc/29/72/00/358297200.db2.gz ZECBEGZSHCHKEZ-HZPDHXFCSA-N 2 2 307.438 1.132 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549016 304075722 /nfs/dbraw/zinc/07/57/22/304075722.db2.gz KYKVZJLWMFSIMS-MRXNPFEDSA-N 2 2 303.406 1.076 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000602565309 359047471 /nfs/dbraw/zinc/04/74/71/359047471.db2.gz AJKAQTYJIUQHRW-ZWKOTPCHSA-N 2 2 314.433 1.811 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898620 359280073 /nfs/dbraw/zinc/28/00/73/359280073.db2.gz HIBYRKMMDYUHPK-QGZVFWFLSA-N 2 2 316.449 1.747 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898620 359280077 /nfs/dbraw/zinc/28/00/77/359280077.db2.gz HIBYRKMMDYUHPK-QGZVFWFLSA-N 2 2 316.449 1.747 20 30 DDEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910669 359701423 /nfs/dbraw/zinc/70/14/23/359701423.db2.gz XERXGFFOPYGKRW-BFKWJSRZSA-N 2 2 318.465 1.457 20 30 DDEDLP N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000611551075 360756622 /nfs/dbraw/zinc/75/66/22/360756622.db2.gz HKOIWPQHJPPBBB-KRWDZBQOSA-N 2 2 313.380 1.905 20 30 DDEDLP C[C@@H]1CCCC[N@@H+]1CCNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330177492 223083974 /nfs/dbraw/zinc/08/39/74/223083974.db2.gz KTFWWRBCMULYEF-KGLIPLIRSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330177492 223083977 /nfs/dbraw/zinc/08/39/77/223083977.db2.gz KTFWWRBCMULYEF-KGLIPLIRSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330177492 223083980 /nfs/dbraw/zinc/08/39/80/223083980.db2.gz KTFWWRBCMULYEF-KGLIPLIRSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C1CC1 ZINC000369600575 291331911 /nfs/dbraw/zinc/33/19/11/291331911.db2.gz SAWNAKUIJDEVGV-NOVWEMISSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C1CC1 ZINC000369600575 291331912 /nfs/dbraw/zinc/33/19/12/291331912.db2.gz SAWNAKUIJDEVGV-NOVWEMISSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)C1CC1 ZINC000369600575 291331913 /nfs/dbraw/zinc/33/19/13/291331913.db2.gz SAWNAKUIJDEVGV-NOVWEMISSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C1CC1 ZINC000369600575 291331914 /nfs/dbraw/zinc/33/19/14/291331914.db2.gz SAWNAKUIJDEVGV-NOVWEMISSA-N 2 2 316.449 1.211 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000271826735 209247110 /nfs/dbraw/zinc/24/71/10/209247110.db2.gz SYSDQVRMZFSMHL-UHFFFAOYSA-N 2 2 305.426 1.602 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000567709219 304236030 /nfs/dbraw/zinc/23/60/30/304236030.db2.gz MVLNEHRTDKQPTJ-ZIAGYGMSSA-N 2 2 312.373 1.168 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000567709219 304236031 /nfs/dbraw/zinc/23/60/31/304236031.db2.gz MVLNEHRTDKQPTJ-ZIAGYGMSSA-N 2 2 312.373 1.168 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000103338382 407337279 /nfs/dbraw/zinc/33/72/79/407337279.db2.gz UERDAVIXUUVHER-MRXNPFEDSA-N 2 2 321.469 1.217 20 30 DDEDLP C=CC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000125574458 407392133 /nfs/dbraw/zinc/39/21/33/407392133.db2.gz XCUIWFKYTWRWHU-VPSFDDGASA-N 2 2 320.481 1.903 20 30 DDEDLP C=CC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125574458 407392135 /nfs/dbraw/zinc/39/21/35/407392135.db2.gz XCUIWFKYTWRWHU-VPSFDDGASA-N 2 2 320.481 1.903 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000266915661 407675554 /nfs/dbraw/zinc/67/55/54/407675554.db2.gz KHNQQXZZBRTYFJ-UHFFFAOYSA-N 2 2 311.389 1.493 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH+](C)C)CC1 ZINC000132968940 162049181 /nfs/dbraw/zinc/04/91/81/162049181.db2.gz LXXKNYKHWSOMIM-UHFFFAOYSA-N 2 2 303.406 1.972 20 30 DDEDLP C[NH+]=C(NCc1nccs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160030751 408451089 /nfs/dbraw/zinc/45/10/89/408451089.db2.gz PFTBEOUNADXCJA-STQMWFEESA-N 2 2 318.450 1.998 20 30 DDEDLP C[NH+]=C(NCc1ccn(C)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160110991 408456854 /nfs/dbraw/zinc/45/68/54/408456854.db2.gz XSDANKRENFSMKY-GOEBONIOSA-N 2 2 314.437 1.880 20 30 DDEDLP C[C@@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163079738 408757967 /nfs/dbraw/zinc/75/79/67/408757967.db2.gz LPJLQSJXNLVJKI-ZDUSSCGKSA-N 2 2 309.435 1.262 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCSC1 ZINC000328916359 410009926 /nfs/dbraw/zinc/00/99/26/410009926.db2.gz AKJNWQPEHAAEIY-DOMZBBRYSA-N 2 2 308.451 1.839 20 30 DDEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCc1cccc(C#N)c1 ZINC000337279507 410689451 /nfs/dbraw/zinc/68/94/51/410689451.db2.gz UHPQBUFNPUSMFL-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCc1cccc(C#N)c1 ZINC000337279507 410689457 /nfs/dbraw/zinc/68/94/57/410689457.db2.gz UHPQBUFNPUSMFL-UHFFFAOYSA-N 2 2 314.433 1.592 20 30 DDEDLP CC[C@H](O)C[NH+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331243270 411038894 /nfs/dbraw/zinc/03/88/94/411038894.db2.gz RMCUHDFSLGNANT-HNNXBMFYSA-N 2 2 320.437 1.941 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000246151025 222220330 /nfs/dbraw/zinc/22/03/30/222220330.db2.gz FZZPXGTVXFIZAS-WMLDXEAASA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000246151025 222220334 /nfs/dbraw/zinc/22/03/34/222220334.db2.gz FZZPXGTVXFIZAS-WMLDXEAASA-N 2 2 304.438 1.213 20 30 DDEDLP CCNC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264083060 222313543 /nfs/dbraw/zinc/31/35/43/222313543.db2.gz IBAJVWGDSDPSSE-UHFFFAOYSA-N 2 2 317.481 1.509 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264076881 222313655 /nfs/dbraw/zinc/31/36/55/222313655.db2.gz SYXORSDCDVOKQV-OKILXGFUSA-N 2 2 322.453 1.832 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264076881 222313657 /nfs/dbraw/zinc/31/36/57/222313657.db2.gz SYXORSDCDVOKQV-OKILXGFUSA-N 2 2 322.453 1.832 20 30 DDEDLP Cc1nsc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000367939400 418660381 /nfs/dbraw/zinc/66/03/81/418660381.db2.gz UHVAHEZIOCCOHH-LBPRGKRZSA-N 2 2 305.451 1.904 20 30 DDEDLP CC#CCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361634871 418694475 /nfs/dbraw/zinc/69/44/75/418694475.db2.gz CKROLICVPFBWPG-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP CC#CCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361634871 418694477 /nfs/dbraw/zinc/69/44/77/418694477.db2.gz CKROLICVPFBWPG-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376732003 418701001 /nfs/dbraw/zinc/70/10/01/418701001.db2.gz CROJEQGNUDJWMM-QGZVFWFLSA-N 2 2 321.465 1.254 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C1CC1 ZINC000369600576 418735001 /nfs/dbraw/zinc/73/50/01/418735001.db2.gz SAWNAKUIJDEVGV-NYCLONFESA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C1CC1 ZINC000369600576 418735003 /nfs/dbraw/zinc/73/50/03/418735003.db2.gz SAWNAKUIJDEVGV-NYCLONFESA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C1CC1 ZINC000369600576 418735005 /nfs/dbraw/zinc/73/50/05/418735005.db2.gz SAWNAKUIJDEVGV-NYCLONFESA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C1CC1 ZINC000369600576 418735006 /nfs/dbraw/zinc/73/50/06/418735006.db2.gz SAWNAKUIJDEVGV-NYCLONFESA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204813 418767099 /nfs/dbraw/zinc/76/70/99/418767099.db2.gz KHDAPIYWCCPJBG-JKSUJKDBSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204813 418767100 /nfs/dbraw/zinc/76/71/00/418767100.db2.gz KHDAPIYWCCPJBG-JKSUJKDBSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(C)(C)C#N ZINC000371204813 418767103 /nfs/dbraw/zinc/76/71/03/418767103.db2.gz KHDAPIYWCCPJBG-JKSUJKDBSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(C)(C)C#N ZINC000371204813 418767104 /nfs/dbraw/zinc/76/71/04/418767104.db2.gz KHDAPIYWCCPJBG-JKSUJKDBSA-N 2 2 308.470 1.263 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371194533 418767931 /nfs/dbraw/zinc/76/79/31/418767931.db2.gz FEOPCGXCTQUNDP-QGZVFWFLSA-N 2 2 320.481 1.946 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371194533 418767933 /nfs/dbraw/zinc/76/79/33/418767933.db2.gz FEOPCGXCTQUNDP-QGZVFWFLSA-N 2 2 320.481 1.946 20 30 DDEDLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424168540 228239665 /nfs/dbraw/zinc/23/96/65/228239665.db2.gz ILOAJZBTDCJJNT-HIFRSBDPSA-N 2 2 320.462 1.974 20 30 DDEDLP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000527135871 421359369 /nfs/dbraw/zinc/35/93/69/421359369.db2.gz MTGYDFFJYYOHTP-UONOGXRCSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000527135871 421359372 /nfs/dbraw/zinc/35/93/72/421359372.db2.gz MTGYDFFJYYOHTP-UONOGXRCSA-N 2 2 301.394 1.328 20 30 DDEDLP C[NH+]1CCN(c2ccc(NCc3cccc(C#N)n3)[nH+]c2)CC1 ZINC000602521544 422433717 /nfs/dbraw/zinc/43/37/17/422433717.db2.gz ODKMMNVBJRFMIK-UHFFFAOYSA-N 2 2 308.389 1.712 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153947 424441542 /nfs/dbraw/zinc/44/15/42/424441542.db2.gz CCBOUZCMGGSFNA-WBVHZDCISA-N 2 2 323.481 1.331 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153947 424441549 /nfs/dbraw/zinc/44/15/49/424441549.db2.gz CCBOUZCMGGSFNA-WBVHZDCISA-N 2 2 323.481 1.331 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000530232094 268305232 /nfs/dbraw/zinc/30/52/32/268305232.db2.gz MXBVQXFJDNCXPD-LSDHHAIUSA-N 2 2 312.373 1.099 20 30 DDEDLP C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1[NH+](C)C ZINC000328618993 277810106 /nfs/dbraw/zinc/81/01/06/277810106.db2.gz VNYFUSCTDWXZAW-HZSPNIEDSA-N 2 2 305.426 1.556 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332317158 282025021 /nfs/dbraw/zinc/02/50/21/282025021.db2.gz NSJKTNIFXBFQRV-GJZGRUSLSA-N 2 2 319.453 1.243 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332317158 282025024 /nfs/dbraw/zinc/02/50/24/282025024.db2.gz NSJKTNIFXBFQRV-GJZGRUSLSA-N 2 2 319.453 1.243 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000527048389 336281048 /nfs/dbraw/zinc/28/10/48/336281048.db2.gz AEDKPMYWQHAALS-GFCCVEGCSA-N 2 2 301.394 1.540 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)CC1 ZINC000520792079 337390892 /nfs/dbraw/zinc/39/08/92/337390892.db2.gz FHLHPENPJLGPED-MAUKXSAKSA-N 2 2 318.465 1.555 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)CC1 ZINC000520792079 337390893 /nfs/dbraw/zinc/39/08/93/337390893.db2.gz FHLHPENPJLGPED-MAUKXSAKSA-N 2 2 318.465 1.555 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000342772803 526450393 /nfs/dbraw/zinc/45/03/93/526450393.db2.gz BPQLGJYMXLZZSQ-UHFFFAOYSA-N 3 2 323.481 1.644 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCc2cccs2)CC1 ZINC000490740858 526947774 /nfs/dbraw/zinc/94/77/74/526947774.db2.gz ODBXACHNPUYBRQ-UHFFFAOYSA-N 2 2 319.474 1.390 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCc2cccs2)CC1 ZINC000490740858 526947776 /nfs/dbraw/zinc/94/77/76/526947776.db2.gz ODBXACHNPUYBRQ-UHFFFAOYSA-N 2 2 319.474 1.390 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000490778416 526949535 /nfs/dbraw/zinc/94/95/35/526949535.db2.gz FPHPMSKNMYKQCT-INIZCTEOSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000490778416 526949536 /nfs/dbraw/zinc/94/95/36/526949536.db2.gz FPHPMSKNMYKQCT-INIZCTEOSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000490924752 526950478 /nfs/dbraw/zinc/95/04/78/526950478.db2.gz RGQGEABWLKELKL-CYBMUJFWSA-N 2 2 321.371 1.393 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000490950353 526950758 /nfs/dbraw/zinc/95/07/58/526950758.db2.gz PVKWQGIDQFXBQU-IAGOWNOFSA-N 2 2 313.445 1.546 20 30 DDEDLP C#CCNC(=O)CC[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000491727130 526981400 /nfs/dbraw/zinc/98/14/00/526981400.db2.gz LBGZJISBVKSTBH-UHFFFAOYSA-N 2 2 323.506 1.467 20 30 DDEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330484715 528178363 /nfs/dbraw/zinc/17/83/63/528178363.db2.gz YNFRGTJQGSERNG-HNNXBMFYSA-N 2 2 319.453 1.848 20 30 DDEDLP CC1CC[NH+](CCNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185266 528231704 /nfs/dbraw/zinc/23/17/04/528231704.db2.gz RGQHURVPRHILIY-AWEZNQCLSA-N 2 2 305.426 1.433 20 30 DDEDLP CC1CC[NH+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185266 528231712 /nfs/dbraw/zinc/23/17/12/528231712.db2.gz RGQHURVPRHILIY-AWEZNQCLSA-N 2 2 305.426 1.433 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000819750227 606216723 /nfs/dbraw/zinc/21/67/23/606216723.db2.gz ALGQWQZSGMUEJG-UHFFFAOYSA-N 2 2 304.423 1.668 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972456956 695255714 /nfs/dbraw/zinc/25/57/14/695255714.db2.gz HVBADVJBSQAEEJ-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972456956 695255715 /nfs/dbraw/zinc/25/57/15/695255715.db2.gz HVBADVJBSQAEEJ-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751236 695726160 /nfs/dbraw/zinc/72/61/60/695726160.db2.gz KKIXYMUXKDVWTO-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974751236 695726163 /nfs/dbraw/zinc/72/61/63/695726163.db2.gz KKIXYMUXKDVWTO-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCO1 ZINC000113867958 696659427 /nfs/dbraw/zinc/65/94/27/696659427.db2.gz FWODYPOXYXOVMI-AWEZNQCLSA-N 2 2 305.426 1.106 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC000980477132 696782733 /nfs/dbraw/zinc/78/27/33/696782733.db2.gz BBAUAHQMEQYBLH-INIZCTEOSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC000980477132 696782734 /nfs/dbraw/zinc/78/27/34/696782734.db2.gz BBAUAHQMEQYBLH-INIZCTEOSA-N 2 2 323.868 1.617 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740654 696898716 /nfs/dbraw/zinc/89/87/16/696898716.db2.gz WMUGHHUMMOLFIY-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740654 696898719 /nfs/dbraw/zinc/89/87/19/696898719.db2.gz WMUGHHUMMOLFIY-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061107 697018779 /nfs/dbraw/zinc/01/87/79/697018779.db2.gz LFSGJEDHFAZPMJ-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061107 697018781 /nfs/dbraw/zinc/01/87/81/697018781.db2.gz LFSGJEDHFAZPMJ-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061107 697018783 /nfs/dbraw/zinc/01/87/83/697018783.db2.gz LFSGJEDHFAZPMJ-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061107 697018785 /nfs/dbraw/zinc/01/87/85/697018785.db2.gz LFSGJEDHFAZPMJ-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982268724 697078424 /nfs/dbraw/zinc/07/84/24/697078424.db2.gz ACBYCWGRJQCSCF-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982268724 697078427 /nfs/dbraw/zinc/07/84/27/697078427.db2.gz ACBYCWGRJQCSCF-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987309832 698078224 /nfs/dbraw/zinc/07/82/24/698078224.db2.gz LBEDIIQRYBYRRO-UKRRQHHQSA-N 2 2 311.389 1.646 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991468679 699331159 /nfs/dbraw/zinc/33/11/59/699331159.db2.gz COZQCWIHUAKHHA-RVKKMQEKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@H]12 ZINC000991468679 699331162 /nfs/dbraw/zinc/33/11/62/699331162.db2.gz COZQCWIHUAKHHA-RVKKMQEKSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000730271151 699505559 /nfs/dbraw/zinc/50/55/59/699505559.db2.gz MAVBHWHKTKGCPQ-HOTGVXAUSA-N 2 2 315.417 1.630 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000730271151 699505560 /nfs/dbraw/zinc/50/55/60/699505560.db2.gz MAVBHWHKTKGCPQ-HOTGVXAUSA-N 2 2 315.417 1.630 20 30 DDEDLP C#CCNC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844330007 703015977 /nfs/dbraw/zinc/01/59/77/703015977.db2.gz SBCGRPIRBVWPKX-HNNXBMFYSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844330007 703015980 /nfs/dbraw/zinc/01/59/80/703015980.db2.gz SBCGRPIRBVWPKX-HNNXBMFYSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844330007 703015983 /nfs/dbraw/zinc/01/59/83/703015983.db2.gz SBCGRPIRBVWPKX-HNNXBMFYSA-N 2 2 319.474 1.560 20 30 DDEDLP C#CCNC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844330007 703015985 /nfs/dbraw/zinc/01/59/85/703015985.db2.gz SBCGRPIRBVWPKX-HNNXBMFYSA-N 2 2 319.474 1.560 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573063 706722934 /nfs/dbraw/zinc/72/29/34/706722934.db2.gz LPLYYHNMCBRQBD-CVEARBPZSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573063 706722935 /nfs/dbraw/zinc/72/29/35/706722935.db2.gz LPLYYHNMCBRQBD-CVEARBPZSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573063 706722936 /nfs/dbraw/zinc/72/29/36/706722936.db2.gz LPLYYHNMCBRQBD-CVEARBPZSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573063 706722937 /nfs/dbraw/zinc/72/29/37/706722937.db2.gz LPLYYHNMCBRQBD-CVEARBPZSA-N 2 2 315.417 1.972 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665130 706173917 /nfs/dbraw/zinc/17/39/17/706173917.db2.gz IOGSLNFGYKOYPN-GJZGRUSLSA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665130 706173918 /nfs/dbraw/zinc/17/39/18/706173918.db2.gz IOGSLNFGYKOYPN-GJZGRUSLSA-N 2 2 309.454 1.520 20 30 DDEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000883238586 707958876 /nfs/dbraw/zinc/95/88/76/707958876.db2.gz GXECQJVXJDARBN-PMPSAXMXSA-N 2 2 309.454 1.430 20 30 DDEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000883238586 707958878 /nfs/dbraw/zinc/95/88/78/707958878.db2.gz GXECQJVXJDARBN-PMPSAXMXSA-N 2 2 309.454 1.430 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000900066549 709280697 /nfs/dbraw/zinc/28/06/97/709280697.db2.gz GYDLFHTVWVIKJB-UHFFFAOYSA-N 2 2 302.422 1.806 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000923292252 714299057 /nfs/dbraw/zinc/29/90/57/714299057.db2.gz IRAQKHIMEQVJGT-HOTGVXAUSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000923292252 714299059 /nfs/dbraw/zinc/29/90/59/714299059.db2.gz IRAQKHIMEQVJGT-HOTGVXAUSA-N 2 2 320.433 1.587 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923411630 714347278 /nfs/dbraw/zinc/34/72/78/714347278.db2.gz OIVNYCXRBKNZDN-CVEARBPZSA-N 2 2 303.406 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923411630 714347281 /nfs/dbraw/zinc/34/72/81/714347281.db2.gz OIVNYCXRBKNZDN-CVEARBPZSA-N 2 2 303.406 1.501 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC000924034951 714512104 /nfs/dbraw/zinc/51/21/04/714512104.db2.gz GOFGNRYVNLWGCF-HNNXBMFYSA-N 2 2 315.421 1.199 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC000924034951 714512106 /nfs/dbraw/zinc/51/21/06/714512106.db2.gz GOFGNRYVNLWGCF-HNNXBMFYSA-N 2 2 315.421 1.199 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256291 716884089 /nfs/dbraw/zinc/88/40/89/716884089.db2.gz XQQMKUAGFDWVRB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000961256291 716884091 /nfs/dbraw/zinc/88/40/91/716884091.db2.gz XQQMKUAGFDWVRB-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521490 717717931 /nfs/dbraw/zinc/71/79/31/717717931.db2.gz VHCJWOWLCWEVLI-GJZGRUSLSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521490 717717933 /nfs/dbraw/zinc/71/79/33/717717933.db2.gz VHCJWOWLCWEVLI-GJZGRUSLSA-N 2 2 314.433 1.222 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC000946833719 718921282 /nfs/dbraw/zinc/92/12/82/718921282.db2.gz DVJPURWSKUVKMZ-OKILXGFUSA-N 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300.406 1.397 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119335 746453414 /nfs/dbraw/zinc/45/34/14/746453414.db2.gz WASYNXUCDBIOFS-PBHICJAKSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994119335 746453416 /nfs/dbraw/zinc/45/34/16/746453416.db2.gz WASYNXUCDBIOFS-PBHICJAKSA-N 2 2 323.400 1.483 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447336 747154237 /nfs/dbraw/zinc/15/42/37/747154237.db2.gz ATVBRZVZVSNSJY-UHFFFAOYSA-N 2 2 321.465 1.047 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447336 747154240 /nfs/dbraw/zinc/15/42/40/747154240.db2.gz ATVBRZVZVSNSJY-UHFFFAOYSA-N 2 2 321.465 1.047 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001036077914 752170190 /nfs/dbraw/zinc/17/01/90/752170190.db2.gz QEECSINEPQJESA-HIFRSBDPSA-N 2 2 304.438 1.939 20 30 DDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031784044 747833495 /nfs/dbraw/zinc/83/34/95/747833495.db2.gz KWQYZZLKPKBNQO-HNNXBMFYSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089846932 748054726 /nfs/dbraw/zinc/05/47/26/748054726.db2.gz NTDNAXBEALFCDW-HZMVEIRTSA-N 2 2 312.417 1.075 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cc[nH+]c1 ZINC001089846932 748054734 /nfs/dbraw/zinc/05/47/34/748054734.db2.gz NTDNAXBEALFCDW-HZMVEIRTSA-N 2 2 312.417 1.075 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004611520 748587514 /nfs/dbraw/zinc/58/75/14/748587514.db2.gz WCPDSWFDJGPPTF-QGZVFWFLSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004611520 748587510 /nfs/dbraw/zinc/58/75/10/748587510.db2.gz WCPDSWFDJGPPTF-QGZVFWFLSA-N 2 2 314.433 1.597 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201982217 748647114 /nfs/dbraw/zinc/64/71/14/748647114.db2.gz FOAWCCKJGACDEJ-INIZCTEOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033207248 748920952 /nfs/dbraw/zinc/92/09/52/748920952.db2.gz JYDRYXQGHJSTII-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033207248 748920954 /nfs/dbraw/zinc/92/09/54/748920954.db2.gz JYDRYXQGHJSTII-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473691 749418611 /nfs/dbraw/zinc/41/86/11/749418611.db2.gz NVFMERREYLPIJC-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473691 749418614 /nfs/dbraw/zinc/41/86/14/749418614.db2.gz NVFMERREYLPIJC-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996399777 749556978 /nfs/dbraw/zinc/55/69/78/749556978.db2.gz SNVJNTWCPDQIEN-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996399777 749556983 /nfs/dbraw/zinc/55/69/83/749556983.db2.gz SNVJNTWCPDQIEN-ZFWWWQNUSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877084 749801776 /nfs/dbraw/zinc/80/17/76/749801776.db2.gz BRHICABTFLNHRC-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877084 749801783 /nfs/dbraw/zinc/80/17/83/749801783.db2.gz BRHICABTFLNHRC-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773285 749948565 /nfs/dbraw/zinc/94/85/65/749948565.db2.gz PLVAKTZRSXSFRK-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773285 749948571 /nfs/dbraw/zinc/94/85/71/749948571.db2.gz PLVAKTZRSXSFRK-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877240 750014300 /nfs/dbraw/zinc/01/43/00/750014300.db2.gz HRGNXINTAQIMHI-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033877240 750014303 /nfs/dbraw/zinc/01/43/03/750014303.db2.gz HRGNXINTAQIMHI-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785796 750052995 /nfs/dbraw/zinc/05/29/95/750052995.db2.gz QJWIAWMUQRXOQW-CQSZACIVSA-N 2 2 304.438 1.822 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652209 750302241 /nfs/dbraw/zinc/30/22/41/750302241.db2.gz HWLGTQXDROWHKD-NVXWUHKLSA-N 2 2 302.422 1.820 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652209 750302246 /nfs/dbraw/zinc/30/22/46/750302246.db2.gz HWLGTQXDROWHKD-NVXWUHKLSA-N 2 2 302.422 1.820 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005604469 750693795 /nfs/dbraw/zinc/69/37/95/750693795.db2.gz ARUNAKMGVJKQDK-AWEZNQCLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005618706 750709606 /nfs/dbraw/zinc/70/96/06/750709606.db2.gz SRXQGYAIIPVCGB-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643308 751176230 /nfs/dbraw/zinc/17/62/30/751176230.db2.gz BMQLQLVHMRMLIV-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544658 751250309 /nfs/dbraw/zinc/25/03/09/751250309.db2.gz DGBABQNTKVUOMX-ROUUACIJSA-N 2 2 320.396 1.794 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544658 751250314 /nfs/dbraw/zinc/25/03/14/751250314.db2.gz DGBABQNTKVUOMX-ROUUACIJSA-N 2 2 320.396 1.794 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417462 762110767 /nfs/dbraw/zinc/11/07/67/762110767.db2.gz BDJTWHATCLYKPW-GOSISDBHSA-N 2 2 321.465 1.093 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417462 762110773 /nfs/dbraw/zinc/11/07/73/762110773.db2.gz BDJTWHATCLYKPW-GOSISDBHSA-N 2 2 321.465 1.093 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001009017304 753037357 /nfs/dbraw/zinc/03/73/57/753037357.db2.gz WPVAHNRSXXXJTA-OAHLLOKOSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001009017304 753037358 /nfs/dbraw/zinc/03/73/58/753037358.db2.gz WPVAHNRSXXXJTA-OAHLLOKOSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078259241 753904290 /nfs/dbraw/zinc/90/42/90/753904290.db2.gz AVODOQCMPZALII-HUUCEWRRSA-N 2 2 321.421 1.082 20 30 DDEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078259241 753904295 /nfs/dbraw/zinc/90/42/95/753904295.db2.gz AVODOQCMPZALII-HUUCEWRRSA-N 2 2 321.421 1.082 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855171 762270586 /nfs/dbraw/zinc/27/05/86/762270586.db2.gz OIVVSSMCNLBLHX-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001000855171 762270593 /nfs/dbraw/zinc/27/05/93/762270593.db2.gz OIVVSSMCNLBLHX-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000873887 762287985 /nfs/dbraw/zinc/28/79/85/762287985.db2.gz APUUWMFAPYJUCJ-UHFFFAOYSA-N 2 2 318.421 1.674 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000873887 762287986 /nfs/dbraw/zinc/28/79/86/762287986.db2.gz APUUWMFAPYJUCJ-UHFFFAOYSA-N 2 2 318.421 1.674 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001563202 754403825 /nfs/dbraw/zinc/40/38/25/754403825.db2.gz OTMBKIWGGMEARO-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735711 755556426 /nfs/dbraw/zinc/55/64/26/755556426.db2.gz BMKMSJQBJJGVDD-WQVCFCJDSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735711 755556431 /nfs/dbraw/zinc/55/64/31/755556431.db2.gz BMKMSJQBJJGVDD-WQVCFCJDSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001079735711 755556434 /nfs/dbraw/zinc/55/64/34/755556434.db2.gz BMKMSJQBJJGVDD-WQVCFCJDSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001079735711 755556436 /nfs/dbraw/zinc/55/64/36/755556436.db2.gz BMKMSJQBJJGVDD-WQVCFCJDSA-N 2 2 317.437 1.413 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001015285106 756215861 /nfs/dbraw/zinc/21/58/61/756215861.db2.gz DADPXWYLKLZSOT-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015285106 756215865 /nfs/dbraw/zinc/21/58/65/756215865.db2.gz DADPXWYLKLZSOT-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081203400 756248692 /nfs/dbraw/zinc/24/86/92/756248692.db2.gz ITAPWEZOIPDDER-JKSUJKDBSA-N 2 2 308.385 1.170 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694488 757783182 /nfs/dbraw/zinc/78/31/82/757783182.db2.gz GHIROIWVMLKVBR-HZPDHXFCSA-N 2 2 314.433 1.563 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694488 757783185 /nfs/dbraw/zinc/78/31/85/757783185.db2.gz GHIROIWVMLKVBR-HZPDHXFCSA-N 2 2 314.433 1.563 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700591 757791992 /nfs/dbraw/zinc/79/19/92/757791992.db2.gz PBUPIZAIZLTRRC-HZPDHXFCSA-N 2 2 314.433 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700591 757791998 /nfs/dbraw/zinc/79/19/98/757791998.db2.gz PBUPIZAIZLTRRC-HZPDHXFCSA-N 2 2 314.433 1.563 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC001108193793 757828495 /nfs/dbraw/zinc/82/84/95/757828495.db2.gz BBWRVZZCFUGVBB-HIFRSBDPSA-N 2 2 315.421 1.108 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC001108193793 757828509 /nfs/dbraw/zinc/82/85/09/757828509.db2.gz BBWRVZZCFUGVBB-HIFRSBDPSA-N 2 2 315.421 1.108 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001017969025 758428000 /nfs/dbraw/zinc/42/80/00/758428000.db2.gz YEBFNKALRUTZFR-QKPAOTATSA-N 2 2 314.433 1.775 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001017969025 758428003 /nfs/dbraw/zinc/42/80/03/758428003.db2.gz YEBFNKALRUTZFR-QKPAOTATSA-N 2 2 314.433 1.775 20 30 DDEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001054035267 759090616 /nfs/dbraw/zinc/09/06/16/759090616.db2.gz IJYXJPRIKQVBJB-MSOLQXFVSA-N 2 2 313.445 1.810 20 30 DDEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001054035267 759090622 /nfs/dbraw/zinc/09/06/22/759090622.db2.gz 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ZINC001071628693 769745434 /nfs/dbraw/zinc/74/54/34/769745434.db2.gz SDNPEKWDCJPTNC-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071628693 769745445 /nfs/dbraw/zinc/74/54/45/769745445.db2.gz SDNPEKWDCJPTNC-ZIAGYGMSSA-N 2 2 318.421 1.342 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048884511 770044444 /nfs/dbraw/zinc/04/44/44/770044444.db2.gz APBXAXCYMZCQKD-IYBDPMFKSA-N 2 2 316.449 1.893 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001048884511 770044457 /nfs/dbraw/zinc/04/44/57/770044457.db2.gz APBXAXCYMZCQKD-IYBDPMFKSA-N 2 2 316.449 1.893 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870163 770201808 /nfs/dbraw/zinc/20/18/08/770201808.db2.gz ZVYLKUJKGHJBEW-CVEARBPZSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870163 770201814 /nfs/dbraw/zinc/20/18/14/770201814.db2.gz ZVYLKUJKGHJBEW-CVEARBPZSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611522 771018728 /nfs/dbraw/zinc/01/87/28/771018728.db2.gz IQPQXKNWTXJZOC-LSDHHAIUSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611522 771018736 /nfs/dbraw/zinc/01/87/36/771018736.db2.gz IQPQXKNWTXJZOC-LSDHHAIUSA-N 2 2 300.406 1.051 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049851288 771208359 /nfs/dbraw/zinc/20/83/59/771208359.db2.gz WTABFEHCRVBFRF-IRXDYDNUSA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049851288 771208361 /nfs/dbraw/zinc/20/83/61/771208361.db2.gz WTABFEHCRVBFRF-IRXDYDNUSA-N 2 2 316.449 1.994 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097192 771321960 /nfs/dbraw/zinc/32/19/60/771321960.db2.gz JFQMIXSISCGPAT-GJZGRUSLSA-N 2 2 310.401 1.992 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097111952 771628410 /nfs/dbraw/zinc/62/84/10/771628410.db2.gz PTKHEIVPNOOGQO-OAGGEKHMSA-N 2 2 314.433 1.669 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097111952 771628413 /nfs/dbraw/zinc/62/84/13/771628413.db2.gz PTKHEIVPNOOGQO-OAGGEKHMSA-N 2 2 314.433 1.669 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853306 771753073 /nfs/dbraw/zinc/75/30/73/771753073.db2.gz VFOHQEGHPPXYSZ-KGLIPLIRSA-N 2 2 311.389 1.387 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632692 773144173 /nfs/dbraw/zinc/14/41/73/773144173.db2.gz FBYOYQLWLSQERK-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632692 773144174 /nfs/dbraw/zinc/14/41/74/773144174.db2.gz FBYOYQLWLSQERK-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073661091 773274308 /nfs/dbraw/zinc/27/43/08/773274308.db2.gz VXADCXKVOKOSRX-CQSZACIVSA-N 2 2 312.373 1.017 20 30 DDEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073661091 773274309 /nfs/dbraw/zinc/27/43/09/773274309.db2.gz VXADCXKVOKOSRX-CQSZACIVSA-N 2 2 312.373 1.017 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952168 773741397 /nfs/dbraw/zinc/74/13/97/773741397.db2.gz BMYTWHBNHMRRFY-OAHLLOKOSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001074269350 773781714 /nfs/dbraw/zinc/78/17/14/773781714.db2.gz UZNDDDNECROLKO-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001074269350 773781716 /nfs/dbraw/zinc/78/17/16/773781716.db2.gz UZNDDDNECROLKO-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074269350 773781719 /nfs/dbraw/zinc/78/17/19/773781719.db2.gz UZNDDDNECROLKO-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074269350 773781723 /nfs/dbraw/zinc/78/17/23/773781723.db2.gz UZNDDDNECROLKO-DLBZAZTESA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001074895427 774226385 /nfs/dbraw/zinc/22/63/85/774226385.db2.gz PEWBJGKWSRRQDC-YJNKXOJESA-N 2 2 302.422 1.679 20 30 DDEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309883 774941466 /nfs/dbraw/zinc/94/14/66/774941466.db2.gz GPNZEFQERDVRMY-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309883 774941473 /nfs/dbraw/zinc/94/14/73/774941473.db2.gz GPNZEFQERDVRMY-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101063802 776871724 /nfs/dbraw/zinc/87/17/24/776871724.db2.gz PGWWMMHSJAZBBM-UHFFFAOYSA-N 2 2 320.437 1.350 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1C#N ZINC001172967588 776945560 /nfs/dbraw/zinc/94/55/60/776945560.db2.gz KZHUMKGLRPXLKY-KBPBESRZSA-N 2 2 319.409 1.764 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986972 777766743 /nfs/dbraw/zinc/76/67/43/777766743.db2.gz SIQHBCFAMYGSKH-HUUCEWRRSA-N 2 2 314.433 1.079 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986972 777766750 /nfs/dbraw/zinc/76/67/50/777766750.db2.gz SIQHBCFAMYGSKH-HUUCEWRRSA-N 2 2 314.433 1.079 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176685726 778211698 /nfs/dbraw/zinc/21/16/98/778211698.db2.gz HZKHLCMXCGZBHL-WBVHZDCISA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001179009813 779260539 /nfs/dbraw/zinc/26/05/39/779260539.db2.gz RMCGHHJIDILYBL-UXLLHSPISA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171570 779639442 /nfs/dbraw/zinc/63/94/42/779639442.db2.gz OSBSGCISCMPDHJ-VXGBXAGGSA-N 2 2 316.327 1.507 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115602850 780262661 /nfs/dbraw/zinc/26/26/61/780262661.db2.gz GNEWVDXAUWQUBR-OAHLLOKOSA-N 2 2 314.433 1.487 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267168635 837454688 /nfs/dbraw/zinc/45/46/88/837454688.db2.gz CZGKEWSXCKYAJT-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267168635 837454694 /nfs/dbraw/zinc/45/46/94/837454694.db2.gz CZGKEWSXCKYAJT-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267270775 837713488 /nfs/dbraw/zinc/71/34/88/837713488.db2.gz WWHLUFUAAHFDTI-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267270775 837713498 /nfs/dbraw/zinc/71/34/98/837713498.db2.gz WWHLUFUAAHFDTI-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267270775 837713510 /nfs/dbraw/zinc/71/35/10/837713510.db2.gz WWHLUFUAAHFDTI-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267270775 837713515 /nfs/dbraw/zinc/71/35/15/837713515.db2.gz WWHLUFUAAHFDTI-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267315313 837810553 /nfs/dbraw/zinc/81/05/53/837810553.db2.gz JDZWYSNCKJAOBH-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267315313 837810568 /nfs/dbraw/zinc/81/05/68/837810568.db2.gz JDZWYSNCKJAOBH-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP CC#CC[N@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266392686 836198589 /nfs/dbraw/zinc/19/85/89/836198589.db2.gz NGQHZAKTQPCHSA-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP CC#CC[N@@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266392686 836198594 /nfs/dbraw/zinc/19/85/94/836198594.db2.gz NGQHZAKTQPCHSA-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP CC#CC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266392686 836198602 /nfs/dbraw/zinc/19/86/02/836198602.db2.gz NGQHZAKTQPCHSA-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP CC#CC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266392686 836198609 /nfs/dbraw/zinc/19/86/09/836198609.db2.gz NGQHZAKTQPCHSA-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267543865 838278919 /nfs/dbraw/zinc/27/89/19/838278919.db2.gz GMCVOEBRGTXGHP-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267543865 838278925 /nfs/dbraw/zinc/27/89/25/838278925.db2.gz GMCVOEBRGTXGHP-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267602815 838414225 /nfs/dbraw/zinc/41/42/25/838414225.db2.gz HPEBTZICSHSQCC-HZPDHXFCSA-N 2 2 314.433 1.327 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267602815 838414226 /nfs/dbraw/zinc/41/42/26/838414226.db2.gz HPEBTZICSHSQCC-HZPDHXFCSA-N 2 2 314.433 1.327 20 30 DDEDLP CC#CC[NH2+]Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001267936485 839221994 /nfs/dbraw/zinc/22/19/94/839221994.db2.gz HNDVUQOSGAGRNL-UHFFFAOYSA-N 2 2 310.401 1.703 20 30 DDEDLP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268108580 839698377 /nfs/dbraw/zinc/69/83/77/839698377.db2.gz TWCQBKPWWFXYER-CABCVRRESA-N 2 2 302.422 1.199 20 30 DDEDLP N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001268597858 840549618 /nfs/dbraw/zinc/54/96/18/840549618.db2.gz NJFUXXPNAYFECY-UPHRSURJSA-N 2 2 315.402 1.348 20 30 DDEDLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C2)CC1 ZINC001142926160 861313523 /nfs/dbraw/zinc/31/35/23/861313523.db2.gz KUBBOWHHGNJJHI-UHFFFAOYSA-N 2 2 309.417 1.471 20 30 DDEDLP C=CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCCC1 ZINC001270423642 842570558 /nfs/dbraw/zinc/57/05/58/842570558.db2.gz VVMMHPHICNMVKP-HNNXBMFYSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270633582 842760494 /nfs/dbraw/zinc/76/04/94/842760494.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001270633582 842760498 /nfs/dbraw/zinc/76/04/98/842760498.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001270633582 842760501 /nfs/dbraw/zinc/76/05/01/842760501.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001270633582 842760508 /nfs/dbraw/zinc/76/05/08/842760508.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 2 320.437 1.372 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252393 848193097 /nfs/dbraw/zinc/19/30/97/848193097.db2.gz OWQQKAROOSKYOA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252393 848193102 /nfs/dbraw/zinc/19/31/02/848193102.db2.gz OWQQKAROOSKYOA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252393 848193103 /nfs/dbraw/zinc/19/31/03/848193103.db2.gz OWQQKAROOSKYOA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252393 848193107 /nfs/dbraw/zinc/19/31/07/848193107.db2.gz OWQQKAROOSKYOA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001274436690 852264624 /nfs/dbraw/zinc/26/46/24/852264624.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001274436690 852264594 /nfs/dbraw/zinc/26/45/94/852264594.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001274436690 852264602 /nfs/dbraw/zinc/26/46/02/852264602.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001274436690 852264613 /nfs/dbraw/zinc/26/46/13/852264613.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001275063196 852779798 /nfs/dbraw/zinc/77/97/98/852779798.db2.gz OGKJZDJNAOLGBV-SJLPKXTDSA-N 2 2 310.401 1.900 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224788148 881535430 /nfs/dbraw/zinc/53/54/30/881535430.db2.gz NOCYXRIIOJOLDF-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224788148 881535438 /nfs/dbraw/zinc/53/54/38/881535438.db2.gz NOCYXRIIOJOLDF-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001329761618 863834331 /nfs/dbraw/zinc/83/43/31/863834331.db2.gz NBDZAUJILSRCDU-OAGGEKHMSA-N 2 2 316.449 1.620 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001153891277 864198740 /nfs/dbraw/zinc/19/87/40/864198740.db2.gz VFUGBPRSHHXOSZ-CABCVRRESA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001153891277 864198743 /nfs/dbraw/zinc/19/87/43/864198743.db2.gz VFUGBPRSHHXOSZ-CABCVRRESA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(=C)Cl ZINC001153891277 864198749 /nfs/dbraw/zinc/19/87/49/864198749.db2.gz VFUGBPRSHHXOSZ-CABCVRRESA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(=C)Cl ZINC001153891277 864198756 /nfs/dbraw/zinc/19/87/56/864198756.db2.gz VFUGBPRSHHXOSZ-CABCVRRESA-N 2 2 311.857 1.663 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001330406926 864317438 /nfs/dbraw/zinc/31/74/38/864317438.db2.gz YCNFDQXPWZBJRJ-JKSUJKDBSA-N 2 2 320.437 1.445 20 30 DDEDLP Cc1[nH+]c(N2CCO[C@@H](C[NH+]3CCCC3)C2)ccc1CC#N ZINC001158306064 864562187 /nfs/dbraw/zinc/56/21/87/864562187.db2.gz LEJDRMAMBNNKLJ-INIZCTEOSA-N 2 2 300.406 1.757 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001330849710 864652503 /nfs/dbraw/zinc/65/25/03/864652503.db2.gz DVRBCHQFJUOQEZ-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571634 864737162 /nfs/dbraw/zinc/73/71/62/864737162.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 2 316.449 1.925 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571634 864737168 /nfs/dbraw/zinc/73/71/68/864737168.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 2 316.449 1.925 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571634 864737179 /nfs/dbraw/zinc/73/71/79/864737179.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 2 316.449 1.925 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571634 864737184 /nfs/dbraw/zinc/73/71/84/864737184.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 2 316.449 1.925 20 30 DDEDLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001331521099 865132754 /nfs/dbraw/zinc/13/27/54/865132754.db2.gz XWYHGKNHWUFSBS-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001332386566 865807238 /nfs/dbraw/zinc/80/72/38/865807238.db2.gz GCIMPHLZJMDKIU-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001332386566 865807257 /nfs/dbraw/zinc/80/72/57/865807257.db2.gz GCIMPHLZJMDKIU-NFAWXSAZSA-N 2 2 302.422 1.916 20 30 DDEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160742159 866092271 /nfs/dbraw/zinc/09/22/71/866092271.db2.gz MNMFPUMWVXDISF-KBPBESRZSA-N 2 2 306.797 1.129 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847083 866337354 /nfs/dbraw/zinc/33/73/54/866337354.db2.gz GNRUWRIEBROPEZ-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847083 866337368 /nfs/dbraw/zinc/33/73/68/866337368.db2.gz GNRUWRIEBROPEZ-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001333088614 866412158 /nfs/dbraw/zinc/41/21/58/866412158.db2.gz JATAFXDUNALPOC-HLIUYOAVSA-N 2 2 300.406 1.048 20 30 DDEDLP C[NH+](C)C1(CNc2cnc3c(C#N)c[nH]c3c2)CC[NH+](C)CC1 ZINC001164213522 869020784 /nfs/dbraw/zinc/02/07/84/869020784.db2.gz VDQZLLJYZQPNKP-UHFFFAOYSA-N 2 2 312.421 1.872 20 30 DDEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819724 869721965 /nfs/dbraw/zinc/72/19/65/869721965.db2.gz WGOBPKAQYLJNJS-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317077930 870211216 /nfs/dbraw/zinc/21/12/16/870211216.db2.gz GWYYRJBFEDQPRH-HDJSIYSDSA-N 2 2 300.406 1.022 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203442148 870562076 /nfs/dbraw/zinc/56/20/76/870562076.db2.gz JROXJECXOGAIJH-GJZGRUSLSA-N 2 2 302.422 1.935 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679764 870709073 /nfs/dbraw/zinc/70/90/73/870709073.db2.gz ZCHMUWNHVKBXKT-JKSUJKDBSA-N 2 2 314.433 1.393 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787985 871504963 /nfs/dbraw/zinc/50/49/63/871504963.db2.gz HHUKRFCKNBGIBT-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787985 871504970 /nfs/dbraw/zinc/50/49/70/871504970.db2.gz HHUKRFCKNBGIBT-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+](CC)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317481684 871622623 /nfs/dbraw/zinc/62/26/23/871622623.db2.gz IMWRMZQTXGSIEJ-INIZCTEOSA-N 2 2 304.438 1.932 20 30 DDEDLP CC#CC[N@@H+](CC)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317481684 871622640 /nfs/dbraw/zinc/62/26/40/871622640.db2.gz IMWRMZQTXGSIEJ-INIZCTEOSA-N 2 2 304.438 1.932 20 30 DDEDLP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001318704358 872215880 /nfs/dbraw/zinc/21/58/80/872215880.db2.gz AKCSPARRJKJTAY-QGZVFWFLSA-N 2 2 304.438 1.803 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364905 874066183 /nfs/dbraw/zinc/06/61/83/874066183.db2.gz JKFLZMZVBYFDOG-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364905 874066191 /nfs/dbraw/zinc/06/61/91/874066191.db2.gz JKFLZMZVBYFDOG-RRFJBIMHSA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447441 874147841 /nfs/dbraw/zinc/14/78/41/874147841.db2.gz NLRSIEIIGRXYMF-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451030 874152442 /nfs/dbraw/zinc/15/24/42/874152442.db2.gz PTZFZFIOQXDTPE-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451030 874152450 /nfs/dbraw/zinc/15/24/50/874152450.db2.gz PTZFZFIOQXDTPE-GJZGRUSLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208450957 874153377 /nfs/dbraw/zinc/15/33/77/874153377.db2.gz OPZXGOBTEMJWRK-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451029 874153837 /nfs/dbraw/zinc/15/38/37/874153837.db2.gz PTZFZFIOQXDTPE-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451029 874153839 /nfs/dbraw/zinc/15/38/39/874153839.db2.gz PTZFZFIOQXDTPE-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208737844 874429890 /nfs/dbraw/zinc/42/98/90/874429890.db2.gz BVKUSKLOQYBTRR-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208737844 874429897 /nfs/dbraw/zinc/42/98/97/874429897.db2.gz BVKUSKLOQYBTRR-IRXDYDNUSA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001381876006 882872851 /nfs/dbraw/zinc/87/28/51/882872851.db2.gz POJCQRRYBPDCSD-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001381876006 882872865 /nfs/dbraw/zinc/87/28/65/882872865.db2.gz POJCQRRYBPDCSD-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001381876006 882872879 /nfs/dbraw/zinc/87/28/79/882872879.db2.gz POJCQRRYBPDCSD-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001381876006 882872896 /nfs/dbraw/zinc/87/28/96/882872896.db2.gz POJCQRRYBPDCSD-ZDUSSCGKSA-N 2 2 301.862 1.907 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916851 876506752 /nfs/dbraw/zinc/50/67/52/876506752.db2.gz KDQGUNBKBWMZBK-BRWVUGGUSA-N 2 2 316.449 1.930 20 30 DDEDLP CCc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc(CC)c1C#N ZINC001219112814 877930086 /nfs/dbraw/zinc/93/00/86/877930086.db2.gz WSGUQFWWXVWBDW-UHFFFAOYSA-N 2 2 314.433 1.963 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001354934015 878324764 /nfs/dbraw/zinc/32/47/64/878324764.db2.gz NMFDJWLILFJWDQ-AWEZNQCLSA-N 2 2 301.394 1.367 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001354934015 878324779 /nfs/dbraw/zinc/32/47/79/878324779.db2.gz NMFDJWLILFJWDQ-AWEZNQCLSA-N 2 2 301.394 1.367 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853499 878546887 /nfs/dbraw/zinc/54/68/87/878546887.db2.gz YBIPLPDLZXYUCD-PMPSAXMXSA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853499 878546906 /nfs/dbraw/zinc/54/69/06/878546906.db2.gz YBIPLPDLZXYUCD-PMPSAXMXSA-N 2 2 320.437 1.208 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222081068 880226687 /nfs/dbraw/zinc/22/66/87/880226687.db2.gz CBKKHDBRTRXTGS-AWEZNQCLSA-N 2 2 310.829 1.996 20 30 DDEDLP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230614258 884654747 /nfs/dbraw/zinc/65/47/47/884654747.db2.gz YNTPAOBYHVUHDM-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230614258 884654751 /nfs/dbraw/zinc/65/47/51/884654751.db2.gz YNTPAOBYHVUHDM-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230614258 884654753 /nfs/dbraw/zinc/65/47/53/884654753.db2.gz YNTPAOBYHVUHDM-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230614258 884654758 /nfs/dbraw/zinc/65/47/58/884654758.db2.gz YNTPAOBYHVUHDM-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001363215938 885735304 /nfs/dbraw/zinc/73/53/04/885735304.db2.gz LYGXVWWSOJEGSO-HUUCEWRRSA-N 2 2 302.422 1.729 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC001363215938 885735313 /nfs/dbraw/zinc/73/53/13/885735313.db2.gz LYGXVWWSOJEGSO-HUUCEWRRSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001277681223 886470752 /nfs/dbraw/zinc/47/07/52/886470752.db2.gz AHBHTFSNVUSERL-HOTGVXAUSA-N 2 2 323.481 1.452 20 30 DDEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1O ZINC001233385361 886968213 /nfs/dbraw/zinc/96/82/13/886968213.db2.gz FFKPYECINBXGSK-UHFFFAOYSA-N 2 2 319.405 1.581 20 30 DDEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1O ZINC001233385361 886968225 /nfs/dbraw/zinc/96/82/25/886968225.db2.gz FFKPYECINBXGSK-UHFFFAOYSA-N 2 2 319.405 1.581 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001364368474 888472219 /nfs/dbraw/zinc/47/22/19/888472219.db2.gz UOUYSJXZEBGDAD-INIZCTEOSA-N 2 2 311.389 1.147 20 30 DDEDLP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001364728694 889287279 /nfs/dbraw/zinc/28/72/79/889287279.db2.gz MPMOCQIGIBSXJU-YJBOKZPZSA-N 2 2 312.461 1.966 20 30 DDEDLP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001364728694 889287298 /nfs/dbraw/zinc/28/72/98/889287298.db2.gz MPMOCQIGIBSXJU-YJBOKZPZSA-N 2 2 312.461 1.966 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278510431 893754728 /nfs/dbraw/zinc/75/47/28/893754728.db2.gz AAISKLYDCHGVKZ-QAPCUYQASA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264180814 900997351 /nfs/dbraw/zinc/99/73/51/900997351.db2.gz RCKZFTBPHXWPOA-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264180814 900997360 /nfs/dbraw/zinc/99/73/60/900997360.db2.gz RCKZFTBPHXWPOA-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264180814 900997366 /nfs/dbraw/zinc/99/73/66/900997366.db2.gz RCKZFTBPHXWPOA-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264180814 900997372 /nfs/dbraw/zinc/99/73/72/900997372.db2.gz RCKZFTBPHXWPOA-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001264520309 901164671 /nfs/dbraw/zinc/16/46/71/901164671.db2.gz JSDSKOWXOUNBBY-ZBFHGGJFSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001265332726 901895185 /nfs/dbraw/zinc/89/51/85/901895185.db2.gz ZYAODOSXGSVTAD-HOTGVXAUSA-N 2 2 314.433 1.828 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265625994 902217512 /nfs/dbraw/zinc/21/75/12/902217512.db2.gz MDRJKVLHMJAIIW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265625994 902217524 /nfs/dbraw/zinc/21/75/24/902217524.db2.gz MDRJKVLHMJAIIW-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001265743173 902360676 /nfs/dbraw/zinc/36/06/76/902360676.db2.gz FHNMVYNOENIXLV-UHFFFAOYSA-N 2 2 302.422 1.393 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C[NH+]1CCCC1 ZINC001392328198 903906467 /nfs/dbraw/zinc/90/64/67/903906467.db2.gz ZIJVFTNMBPWBSR-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C[NH+]1CCCC1 ZINC001392328198 903906480 /nfs/dbraw/zinc/90/64/80/903906480.db2.gz ZIJVFTNMBPWBSR-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C#CC[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH+]ccc1OC)C(C)C ZINC001282558753 905868403 /nfs/dbraw/zinc/86/84/03/905868403.db2.gz UTRATWBYLMPZAN-INIZCTEOSA-N 2 2 317.433 1.729 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001393083741 906137755 /nfs/dbraw/zinc/13/77/55/906137755.db2.gz KGMNOAKULKTYEE-CQSZACIVSA-N 2 2 310.829 1.969 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284024959 908334884 /nfs/dbraw/zinc/33/48/84/908334884.db2.gz GFRAOZPOUCYPBB-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1C#N ZINC001378017705 923712207 /nfs/dbraw/zinc/71/22/07/923712207.db2.gz FRDPHUJOLTWCNB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccccc1C#N ZINC001378017705 923712214 /nfs/dbraw/zinc/71/22/14/923712214.db2.gz FRDPHUJOLTWCNB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccccc1C#N ZINC001378017705 923712226 /nfs/dbraw/zinc/71/22/26/923712226.db2.gz FRDPHUJOLTWCNB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccccc1C#N ZINC001378017705 923712231 /nfs/dbraw/zinc/71/22/31/923712231.db2.gz FRDPHUJOLTWCNB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000328793697 539299119 /nfs/dbraw/zinc/29/91/19/539299119.db2.gz SBQIWXSFLLWOOU-ZDUSSCGKSA-N 2 2 317.437 1.707 20 30 DDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328793697 539299120 /nfs/dbraw/zinc/29/91/20/539299120.db2.gz SBQIWXSFLLWOOU-ZDUSSCGKSA-N 2 2 317.437 1.707 20 30 DDEDLP C#Cc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000083847940 192386614 /nfs/dbraw/zinc/38/66/14/192386614.db2.gz ABXZSLIBYGMZDN-UHFFFAOYSA-N 2 2 314.433 1.815 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000623836414 366081263 /nfs/dbraw/zinc/08/12/63/366081263.db2.gz YQDHHZPMBXWTKK-HNNXBMFYSA-N 2 2 306.406 1.416 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1OC ZINC000623836414 366081267 /nfs/dbraw/zinc/08/12/67/366081267.db2.gz YQDHHZPMBXWTKK-HNNXBMFYSA-N 2 2 306.406 1.416 20 30 DDEDLP Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000564877015 304022658 /nfs/dbraw/zinc/02/26/58/304022658.db2.gz HZDUKCZZXWIRJU-UHFFFAOYSA-N 2 2 322.416 1.443 20 30 DDEDLP C[C@@H](C#N)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000182689243 354274839 /nfs/dbraw/zinc/27/48/39/354274839.db2.gz HYSNDFRNWWPHRF-HNNXBMFYSA-N 2 2 321.469 1.396 20 30 DDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442016 283062807 /nfs/dbraw/zinc/06/28/07/283062807.db2.gz ZELQPXDRUZPWOW-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442016 283062809 /nfs/dbraw/zinc/06/28/09/283062809.db2.gz ZELQPXDRUZPWOW-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442016 283062811 /nfs/dbraw/zinc/06/28/11/283062811.db2.gz ZELQPXDRUZPWOW-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442016 283062813 /nfs/dbraw/zinc/06/28/13/283062813.db2.gz ZELQPXDRUZPWOW-CABCVRRESA-N 2 2 306.454 1.601 20 30 DDEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000330225909 283165292 /nfs/dbraw/zinc/16/52/92/283165292.db2.gz UDXUAZCPKRSMES-PBHICJAKSA-N 2 2 317.437 1.702 20 30 DDEDLP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000330225909 283165293 /nfs/dbraw/zinc/16/52/93/283165293.db2.gz UDXUAZCPKRSMES-PBHICJAKSA-N 2 2 317.437 1.702 20 30 DDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633713 356586926 /nfs/dbraw/zinc/58/69/26/356586926.db2.gz WZJFHLMEWIVBHG-MRXNPFEDSA-N 2 2 305.422 1.322 20 30 DDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633713 356586932 /nfs/dbraw/zinc/58/69/32/356586932.db2.gz WZJFHLMEWIVBHG-MRXNPFEDSA-N 2 2 305.422 1.322 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596911524 357013422 /nfs/dbraw/zinc/01/34/22/357013422.db2.gz RVUAPORSUVYECX-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596911524 357013426 /nfs/dbraw/zinc/01/34/26/357013426.db2.gz RVUAPORSUVYECX-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP Cc1cc(C#N)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597990545 357408417 /nfs/dbraw/zinc/40/84/17/357408417.db2.gz XYNVFOBKEYBWFC-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP Cc1cc(C#N)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597990545 357408420 /nfs/dbraw/zinc/40/84/20/357408420.db2.gz XYNVFOBKEYBWFC-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000599306378 357885834 /nfs/dbraw/zinc/88/58/34/357885834.db2.gz GOHUCCWVGZBHCL-IXDOHACOSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000599306378 357885835 /nfs/dbraw/zinc/88/58/35/357885835.db2.gz GOHUCCWVGZBHCL-IXDOHACOSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000599306378 357885836 /nfs/dbraw/zinc/88/58/36/357885836.db2.gz GOHUCCWVGZBHCL-IXDOHACOSA-N 2 2 321.465 1.616 20 30 DDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC1(C#N)CCOCC1 ZINC000599306378 357885837 /nfs/dbraw/zinc/88/58/37/357885837.db2.gz GOHUCCWVGZBHCL-IXDOHACOSA-N 2 2 321.465 1.616 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602529298 359028541 /nfs/dbraw/zinc/02/85/41/359028541.db2.gz ULRHAHSRBRVCTN-UYSNPLJNSA-N 2 2 306.454 1.601 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602529298 359028545 /nfs/dbraw/zinc/02/85/45/359028545.db2.gz ULRHAHSRBRVCTN-UYSNPLJNSA-N 2 2 306.454 1.601 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000602717896 359147098 /nfs/dbraw/zinc/14/70/98/359147098.db2.gz JTXHKVMJZOZDOZ-WBVHZDCISA-N 2 2 321.465 1.928 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429274 359635480 /nfs/dbraw/zinc/63/54/80/359635480.db2.gz VYWFRAHBWQYXAI-KURKYZTESA-N 2 2 320.481 1.455 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428208 285039332 /nfs/dbraw/zinc/03/93/32/285039332.db2.gz PEOJRGWZQHHRAK-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428208 285039333 /nfs/dbraw/zinc/03/93/33/285039333.db2.gz PEOJRGWZQHHRAK-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428208 285039335 /nfs/dbraw/zinc/03/93/35/285039335.db2.gz PEOJRGWZQHHRAK-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428208 285039336 /nfs/dbraw/zinc/03/93/36/285039336.db2.gz PEOJRGWZQHHRAK-WBVHZDCISA-N 2 2 306.454 1.412 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000121050611 195287847 /nfs/dbraw/zinc/28/78/47/195287847.db2.gz JDPMCSYFVGEYDW-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000121050611 195287850 /nfs/dbraw/zinc/28/78/50/195287850.db2.gz JDPMCSYFVGEYDW-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)C(C)C ZINC000152067036 407556647 /nfs/dbraw/zinc/55/66/47/407556647.db2.gz XCXQAZIMYMCPNX-MRXNPFEDSA-N 2 2 308.470 1.818 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156376590 408252283 /nfs/dbraw/zinc/25/22/83/408252283.db2.gz FVFUWNVOQGCVFO-DOTOQJQBSA-N 2 2 316.405 1.589 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156376590 408252292 /nfs/dbraw/zinc/25/22/92/408252292.db2.gz FVFUWNVOQGCVFO-DOTOQJQBSA-N 2 2 316.405 1.589 20 30 DDEDLP Cn1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000190751700 408313944 /nfs/dbraw/zinc/31/39/44/408313944.db2.gz KOYYVSLLJCHKME-IBGZPJMESA-N 2 2 324.428 1.406 20 30 DDEDLP Cn1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000190751700 408313945 /nfs/dbraw/zinc/31/39/45/408313945.db2.gz KOYYVSLLJCHKME-IBGZPJMESA-N 2 2 324.428 1.406 20 30 DDEDLP C#CC(C)(C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285978171 408900814 /nfs/dbraw/zinc/90/08/14/408900814.db2.gz FCIWVNJHBUPVGS-UHFFFAOYSA-N 2 2 314.433 1.464 20 30 DDEDLP C#CC(C)(C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285978171 408900816 /nfs/dbraw/zinc/90/08/16/408900816.db2.gz FCIWVNJHBUPVGS-UHFFFAOYSA-N 2 2 314.433 1.464 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106934 409050080 /nfs/dbraw/zinc/05/00/80/409050080.db2.gz YDTWKAXGQIJZMO-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106934 409050081 /nfs/dbraw/zinc/05/00/81/409050081.db2.gz YDTWKAXGQIJZMO-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293106934 409050082 /nfs/dbraw/zinc/05/00/82/409050082.db2.gz YDTWKAXGQIJZMO-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293106934 409050083 /nfs/dbraw/zinc/05/00/83/409050083.db2.gz YDTWKAXGQIJZMO-AEFFLSMTSA-N 2 2 305.466 1.993 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000290037518 409292269 /nfs/dbraw/zinc/29/22/69/409292269.db2.gz NTISJDTZMVTXIS-GOSISDBHSA-N 2 2 311.429 1.406 20 30 DDEDLP C#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000290037518 409292272 /nfs/dbraw/zinc/29/22/72/409292272.db2.gz NTISJDTZMVTXIS-GOSISDBHSA-N 2 2 311.429 1.406 20 30 DDEDLP CC(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304797231 409646013 /nfs/dbraw/zinc/64/60/13/409646013.db2.gz NDODPVWRXDEULZ-UHFFFAOYSA-N 3 2 309.502 1.497 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352912500 410686972 /nfs/dbraw/zinc/68/69/72/410686972.db2.gz DWCRPVJBDPYZOL-JZWPEALZSA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352912500 410686979 /nfs/dbraw/zinc/68/69/79/410686979.db2.gz DWCRPVJBDPYZOL-JZWPEALZSA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352912500 410686983 /nfs/dbraw/zinc/68/69/83/410686983.db2.gz DWCRPVJBDPYZOL-JZWPEALZSA-N 2 2 306.454 1.552 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352912500 410686990 /nfs/dbraw/zinc/68/69/90/410686990.db2.gz DWCRPVJBDPYZOL-JZWPEALZSA-N 2 2 306.454 1.552 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH+]ccn3c2)c1C#N ZINC000535502478 416520982 /nfs/dbraw/zinc/52/09/82/416520982.db2.gz ACYSCVWMOYHUDE-UHFFFAOYSA-N 2 2 323.360 1.333 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(CC#N)CC3)C2)CC1 ZINC000373783565 418458067 /nfs/dbraw/zinc/45/80/67/418458067.db2.gz RFHVWZQUTFDSMX-CQSZACIVSA-N 2 2 319.453 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(CC#N)CC3)C2)CC1 ZINC000373783565 418458069 /nfs/dbraw/zinc/45/80/69/418458069.db2.gz RFHVWZQUTFDSMX-CQSZACIVSA-N 2 2 319.453 1.148 20 30 DDEDLP C#CCNC(NC[C@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262656566 222288102 /nfs/dbraw/zinc/28/81/02/222288102.db2.gz XFJDHLDDCNRIAW-ZDUSSCGKSA-N 2 2 304.463 1.683 20 30 DDEDLP C#CCNC(NC[C@H](C)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000262656566 222288106 /nfs/dbraw/zinc/28/81/06/222288106.db2.gz XFJDHLDDCNRIAW-ZDUSSCGKSA-N 2 2 304.463 1.683 20 30 DDEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000262720843 222291523 /nfs/dbraw/zinc/29/15/23/222291523.db2.gz VHYHYBQBIREXRV-QGZVFWFLSA-N 2 2 314.433 1.765 20 30 DDEDLP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000262720843 222291525 /nfs/dbraw/zinc/29/15/25/222291525.db2.gz VHYHYBQBIREXRV-QGZVFWFLSA-N 2 2 314.433 1.765 20 30 DDEDLP CCNC(NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C)=[NH+]CC ZINC000264056863 222311692 /nfs/dbraw/zinc/31/16/92/222311692.db2.gz BJLOATHFCIKNLF-CQSZACIVSA-N 2 2 322.453 1.882 20 30 DDEDLP CCCNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264077154 222314839 /nfs/dbraw/zinc/31/48/39/222314839.db2.gz GCCJRSNBYOFYSZ-UHFFFAOYSA-N 2 2 320.437 1.212 20 30 DDEDLP CN(C(=O)C1(C#N)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369497388 418733712 /nfs/dbraw/zinc/73/37/12/418733712.db2.gz WGQUELZLAHOUAF-OAHLLOKOSA-N 2 2 304.438 1.307 20 30 DDEDLP CN(C(=O)C1(C#N)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369497388 418733714 /nfs/dbraw/zinc/73/37/14/418733714.db2.gz WGQUELZLAHOUAF-OAHLLOKOSA-N 2 2 304.438 1.307 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830658 418748278 /nfs/dbraw/zinc/74/82/78/418748278.db2.gz OMUBUBAJDZZYCM-NVXWUHKLSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830658 418748281 /nfs/dbraw/zinc/74/82/81/418748281.db2.gz OMUBUBAJDZZYCM-NVXWUHKLSA-N 2 2 323.481 1.595 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3C#N)CC2)C(=O)C1 ZINC000378594835 418725190 /nfs/dbraw/zinc/72/51/90/418725190.db2.gz NEUJZTYJQDZFKB-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccccc3C#N)CC2)C(=O)C1 ZINC000378594835 418725192 /nfs/dbraw/zinc/72/51/92/418725192.db2.gz NEUJZTYJQDZFKB-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424154537 228236710 /nfs/dbraw/zinc/23/67/10/228236710.db2.gz MOOZRZCKCGXINC-GDBMZVCRSA-N 2 2 315.421 1.308 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC[NH3+])CC2)cc1 ZINC000418507578 419844040 /nfs/dbraw/zinc/84/40/40/419844040.db2.gz JDAIMAUIAMKKTC-UHFFFAOYSA-N 2 2 315.421 1.124 20 30 DDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000530360973 421597061 /nfs/dbraw/zinc/59/70/61/421597061.db2.gz SSXOSJXLCMXSDS-HNNXBMFYSA-N 2 2 316.453 1.207 20 30 DDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1C#N ZINC000530360973 421597063 /nfs/dbraw/zinc/59/70/63/421597063.db2.gz SSXOSJXLCMXSDS-HNNXBMFYSA-N 2 2 316.453 1.207 20 30 DDEDLP C=CCc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1O ZINC000564570901 421592225 /nfs/dbraw/zinc/59/22/25/421592225.db2.gz OWNQJBHYFBDNTQ-HNNXBMFYSA-N 2 2 305.422 1.204 20 30 DDEDLP C=CCc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1O ZINC000564570901 421592227 /nfs/dbraw/zinc/59/22/27/421592227.db2.gz OWNQJBHYFBDNTQ-HNNXBMFYSA-N 2 2 305.422 1.204 20 30 DDEDLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1 ZINC000574749914 422170764 /nfs/dbraw/zinc/17/07/64/422170764.db2.gz NHQILKIEHZPXJO-LBPRGKRZSA-N 2 2 310.405 1.994 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584061533 422250617 /nfs/dbraw/zinc/25/06/17/422250617.db2.gz NZLUWXUYVFMGSN-INIZCTEOSA-N 2 2 317.433 1.714 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584061533 422250624 /nfs/dbraw/zinc/25/06/24/422250624.db2.gz NZLUWXUYVFMGSN-INIZCTEOSA-N 2 2 317.433 1.714 20 30 DDEDLP C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653064561 423283472 /nfs/dbraw/zinc/28/34/72/423283472.db2.gz ZYNCOZWAFNHVKH-AWEZNQCLSA-N 2 2 319.409 1.212 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000657365200 424311873 /nfs/dbraw/zinc/31/18/73/424311873.db2.gz XVAAILSFNCLLGS-OAHLLOKOSA-N 2 2 319.453 1.445 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000346411660 278149134 /nfs/dbraw/zinc/14/91/34/278149134.db2.gz KPGSSBBZWGZWMX-ZBFHGGJFSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000346411660 278149137 /nfs/dbraw/zinc/14/91/37/278149137.db2.gz KPGSSBBZWGZWMX-ZBFHGGJFSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000346411660 278149139 /nfs/dbraw/zinc/14/91/39/278149139.db2.gz KPGSSBBZWGZWMX-ZBFHGGJFSA-N 2 2 318.465 1.601 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000346411660 278149141 /nfs/dbraw/zinc/14/91/41/278149141.db2.gz KPGSSBBZWGZWMX-ZBFHGGJFSA-N 2 2 318.465 1.601 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244261 336397705 /nfs/dbraw/zinc/39/77/05/336397705.db2.gz BTNCWJBJYXWFJK-YOEHRIQHSA-N 2 2 317.437 1.963 20 30 DDEDLP C=CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nn1 ZINC000655941371 484043713 /nfs/dbraw/zinc/04/37/13/484043713.db2.gz RQHOOZNFCAQARA-CQSZACIVSA-N 2 2 305.426 1.042 20 30 DDEDLP C=CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nn1 ZINC000655941371 484043719 /nfs/dbraw/zinc/04/37/19/484043719.db2.gz RQHOOZNFCAQARA-CQSZACIVSA-N 2 2 305.426 1.042 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491761976 526829476 /nfs/dbraw/zinc/82/94/76/526829476.db2.gz YNNGHFBFHSXVFE-GJZGRUSLSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491761976 526829484 /nfs/dbraw/zinc/82/94/84/526829484.db2.gz YNNGHFBFHSXVFE-GJZGRUSLSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491761976 526829489 /nfs/dbraw/zinc/82/94/89/526829489.db2.gz YNNGHFBFHSXVFE-GJZGRUSLSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491761976 526829492 /nfs/dbraw/zinc/82/94/92/526829492.db2.gz YNNGHFBFHSXVFE-GJZGRUSLSA-N 2 2 317.437 1.051 20 30 DDEDLP C#CC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000491503726 526903033 /nfs/dbraw/zinc/90/30/33/526903033.db2.gz DUUCHNHJOIDNBN-HNNXBMFYSA-N 2 2 314.433 1.961 20 30 DDEDLP C#CC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000491503726 526903036 /nfs/dbraw/zinc/90/30/36/526903036.db2.gz DUUCHNHJOIDNBN-HNNXBMFYSA-N 2 2 314.433 1.961 20 30 DDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000491483575 526988750 /nfs/dbraw/zinc/98/87/50/526988750.db2.gz CJQBVKCSGFZNGW-UHFFFAOYSA-N 2 2 314.433 1.298 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980228061 696713328 /nfs/dbraw/zinc/71/33/28/696713328.db2.gz FQXUAWMIYIYKNK-XHSDSOJGSA-N 2 2 314.433 1.501 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980228061 696713329 /nfs/dbraw/zinc/71/33/29/696713329.db2.gz FQXUAWMIYIYKNK-XHSDSOJGSA-N 2 2 314.433 1.501 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817942 695101935 /nfs/dbraw/zinc/10/19/35/695101935.db2.gz KYKJSLCZVFJPKJ-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817942 695101937 /nfs/dbraw/zinc/10/19/37/695101937.db2.gz KYKJSLCZVFJPKJ-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817942 695101940 /nfs/dbraw/zinc/10/19/40/695101940.db2.gz KYKJSLCZVFJPKJ-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817942 695101942 /nfs/dbraw/zinc/10/19/42/695101942.db2.gz KYKJSLCZVFJPKJ-KGLIPLIRSA-N 2 2 302.422 1.542 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737853 695722040 /nfs/dbraw/zinc/72/20/40/695722040.db2.gz ZECCDKFHQBSZEO-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974737853 695722042 /nfs/dbraw/zinc/72/20/42/695722042.db2.gz ZECCDKFHQBSZEO-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 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CC#CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021814 858010638 /nfs/dbraw/zinc/01/06/38/858010638.db2.gz ONJSYLSDJKFQSG-OAHLLOKOSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001123944545 859487973 /nfs/dbraw/zinc/48/79/73/859487973.db2.gz ZIBNHUIMSFQWCT-RDJZCZTQSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001123944545 859487977 /nfs/dbraw/zinc/48/79/77/859487977.db2.gz ZIBNHUIMSFQWCT-RDJZCZTQSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001123944545 859487983 /nfs/dbraw/zinc/48/79/83/859487983.db2.gz ZIBNHUIMSFQWCT-RDJZCZTQSA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014442 860596572 /nfs/dbraw/zinc/59/65/72/860596572.db2.gz PWYDLWYGAJQYSD-CABCVRRESA-N 2 2 300.406 1.383 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014442 860596574 /nfs/dbraw/zinc/59/65/74/860596574.db2.gz PWYDLWYGAJQYSD-CABCVRRESA-N 2 2 300.406 1.383 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153477829 863907995 /nfs/dbraw/zinc/90/79/95/863907995.db2.gz RAKCWYQESZWSTE-CZUORRHYSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001153477829 863908010 /nfs/dbraw/zinc/90/80/10/863908010.db2.gz RAKCWYQESZWSTE-CZUORRHYSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001153477829 863908024 /nfs/dbraw/zinc/90/80/24/863908024.db2.gz RAKCWYQESZWSTE-CZUORRHYSA-N 2 2 317.437 1.250 20 30 DDEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001153477829 863908040 /nfs/dbraw/zinc/90/80/40/863908040.db2.gz RAKCWYQESZWSTE-CZUORRHYSA-N 2 2 317.437 1.250 20 30 DDEDLP N#Cc1ccc2ncnc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158259087 864520826 /nfs/dbraw/zinc/52/08/26/864520826.db2.gz NMEWBEVIFZPYNC-AWEZNQCLSA-N 2 2 322.416 1.503 20 30 DDEDLP N#Cc1ccc2ncnc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158259087 864520827 /nfs/dbraw/zinc/52/08/27/864520827.db2.gz NMEWBEVIFZPYNC-AWEZNQCLSA-N 2 2 322.416 1.503 20 30 DDEDLP N#Cc1cc(Cl)nnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258968 864521526 /nfs/dbraw/zinc/52/15/26/864521526.db2.gz MYOHHCJZVKFTRV-NSHDSACASA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1cc(Cl)nnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258968 864521532 /nfs/dbraw/zinc/52/15/32/864521532.db2.gz MYOHHCJZVKFTRV-NSHDSACASA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259149 864522165 /nfs/dbraw/zinc/52/21/65/864522165.db2.gz OFFPFTKCYMUPMB-LLVKDONJSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259149 864522177 /nfs/dbraw/zinc/52/21/77/864522177.db2.gz OFFPFTKCYMUPMB-LLVKDONJSA-N 2 2 305.813 1.608 20 30 DDEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001330674135 864526095 /nfs/dbraw/zinc/52/60/95/864526095.db2.gz MUWOYEMIFNEQQG-WKILWMFISA-N 2 2 324.428 1.693 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471261 864675223 /nfs/dbraw/zinc/67/52/23/864675223.db2.gz IXWUKCWJMOOFEA-MRXNPFEDSA-N 2 2 319.453 1.852 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471261 864675233 /nfs/dbraw/zinc/67/52/33/864675233.db2.gz IXWUKCWJMOOFEA-MRXNPFEDSA-N 2 2 319.453 1.852 20 30 DDEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001332063652 865542324 /nfs/dbraw/zinc/54/23/24/865542324.db2.gz HYCFEKHKYGQMCY-WMZOPIPTSA-N 2 2 322.412 1.514 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160467804 865862694 /nfs/dbraw/zinc/86/26/94/865862694.db2.gz WYFVBZGRGXIIAD-UHFFFAOYSA-N 2 2 314.433 1.698 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160467804 865862716 /nfs/dbraw/zinc/86/27/16/865862716.db2.gz WYFVBZGRGXIIAD-UHFFFAOYSA-N 2 2 314.433 1.698 20 30 DDEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001319829121 866320115 /nfs/dbraw/zinc/32/01/15/866320115.db2.gz YVMZBQAJAVVIFN-HUUCEWRRSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[N@H+](CC1CC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC001321148725 867353887 /nfs/dbraw/zinc/35/38/87/867353887.db2.gz CHFKVKWRUYPLGY-QGZVFWFLSA-N 2 2 303.406 1.206 20 30 DDEDLP C#CC[N@@H+](CC1CC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC001321148725 867353902 /nfs/dbraw/zinc/35/39/02/867353902.db2.gz CHFKVKWRUYPLGY-QGZVFWFLSA-N 2 2 303.406 1.206 20 30 DDEDLP Cc1[nH+]c2c(n1-c1nc3c(cc1C#N)COCC3)CC[NH2+]CC2 ZINC001165355200 869543569 /nfs/dbraw/zinc/54/35/69/869543569.db2.gz CAYDGDIZEVFXME-UHFFFAOYSA-N 2 2 309.373 1.208 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203604407 870667190 /nfs/dbraw/zinc/66/71/90/870667190.db2.gz DHAHNIACUKRWNI-CVEARBPZSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC001205557049 871628261 /nfs/dbraw/zinc/62/82/61/871628261.db2.gz GKVZDORBFOSRBX-UHFFFAOYSA-N 2 2 317.481 1.695 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001316704850 871903850 /nfs/dbraw/zinc/90/38/50/871903850.db2.gz ZHLSDUSMYIJIRZ-VYDXJSESSA-N 2 2 316.449 1.828 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001316704850 871903857 /nfs/dbraw/zinc/90/38/57/871903857.db2.gz ZHLSDUSMYIJIRZ-VYDXJSESSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001318758927 872251712 /nfs/dbraw/zinc/25/17/12/872251712.db2.gz NVXMCRLPNIWHPT-KSSFIOAISA-N 2 2 316.449 1.939 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947326 872442610 /nfs/dbraw/zinc/44/26/10/872442610.db2.gz KEGAZYCCJJURKO-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947326 872442622 /nfs/dbraw/zinc/44/26/22/872442622.db2.gz KEGAZYCCJJURKO-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001319362776 872597590 /nfs/dbraw/zinc/59/75/90/872597590.db2.gz KHSSJZRGQYBBHZ-AWEZNQCLSA-N 2 2 300.406 1.097 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061562 873796093 /nfs/dbraw/zinc/79/60/93/873796093.db2.gz GWHPEPRPJMWRQD-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061562 873796107 /nfs/dbraw/zinc/79/61/07/873796107.db2.gz GWHPEPRPJMWRQD-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447443 874148429 /nfs/dbraw/zinc/14/84/29/874148429.db2.gz NLRSIEIIGRXYMF-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678882 874378637 /nfs/dbraw/zinc/37/86/37/874378637.db2.gz KGWVUGWHLXUEHT-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848631 874484949 /nfs/dbraw/zinc/48/49/49/874484949.db2.gz IMJDVKAUNLQVLP-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719286 876030370 /nfs/dbraw/zinc/03/03/70/876030370.db2.gz VPFMAZPRPIFQIH-FVQBIDKESA-N 2 2 320.437 1.133 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213719286 876030388 /nfs/dbraw/zinc/03/03/88/876030388.db2.gz VPFMAZPRPIFQIH-FVQBIDKESA-N 2 2 320.437 1.133 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979822 876120540 /nfs/dbraw/zinc/12/05/40/876120540.db2.gz KYQKYCITHORXRL-HZPDHXFCSA-N 2 2 322.453 1.669 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979822 876120546 /nfs/dbraw/zinc/12/05/46/876120546.db2.gz KYQKYCITHORXRL-HZPDHXFCSA-N 2 2 322.453 1.669 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459681 883027248 /nfs/dbraw/zinc/02/72/48/883027248.db2.gz TZCYIJBIBUZQSW-HUUCEWRRSA-N 2 2 310.401 1.988 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511653 876739116 /nfs/dbraw/zinc/73/91/16/876739116.db2.gz MRGHEEKNNHOISH-UMVBOHGHSA-N 2 2 300.406 1.289 20 30 DDEDLP N#Cc1c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)sc2c1CCC2 ZINC001218545694 877557076 /nfs/dbraw/zinc/55/70/76/877557076.db2.gz MAIXBZCSXNFPFD-LLVKDONJSA-N 2 2 301.375 1.340 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407834 883485957 /nfs/dbraw/zinc/48/59/57/883485957.db2.gz HNRJKRDQNXXKOG-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229036760 883786649 /nfs/dbraw/zinc/78/66/49/883786649.db2.gz CUTGLLLFEZPBAE-FVQBIDKESA-N 2 2 302.422 1.629 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229036760 883786658 /nfs/dbraw/zinc/78/66/58/883786658.db2.gz CUTGLLLFEZPBAE-FVQBIDKESA-N 2 2 302.422 1.629 20 30 DDEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001363842285 887371936 /nfs/dbraw/zinc/37/19/36/887371936.db2.gz OVMSNDLYDWUANU-UHFFFAOYSA-N 2 2 301.419 1.926 20 30 DDEDLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001363842285 887371943 /nfs/dbraw/zinc/37/19/43/887371943.db2.gz OVMSNDLYDWUANU-UHFFFAOYSA-N 2 2 301.419 1.926 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C#N)CCC3)cn2)CC1 ZINC001365499646 890925417 /nfs/dbraw/zinc/92/54/17/890925417.db2.gz OFENHWFXHGHZMU-UHFFFAOYSA-N 2 2 300.410 1.012 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001366056537 892346664 /nfs/dbraw/zinc/34/66/64/892346664.db2.gz MSIPMHQFZXMBTK-AWEZNQCLSA-N 2 2 310.829 1.590 20 30 DDEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252141835 895027528 /nfs/dbraw/zinc/02/75/28/895027528.db2.gz PMQHSQSSBMFNPC-GJZGRUSLSA-N 2 2 310.442 1.507 20 30 DDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137247 896752838 /nfs/dbraw/zinc/75/28/38/896752838.db2.gz QAXAGXOIGDNBBB-MANSERQUSA-N 2 2 310.445 1.979 20 30 DDEDLP N#C[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137247 896752847 /nfs/dbraw/zinc/75/28/47/896752847.db2.gz QAXAGXOIGDNBBB-MANSERQUSA-N 2 2 310.445 1.979 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001367556807 897153601 /nfs/dbraw/zinc/15/36/01/897153601.db2.gz NVAPAMMGHMEURH-UHFFFAOYSA-N 2 2 316.449 1.789 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001367556807 897153612 /nfs/dbraw/zinc/15/36/12/897153612.db2.gz NVAPAMMGHMEURH-UHFFFAOYSA-N 2 2 316.449 1.789 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001367556807 897153620 /nfs/dbraw/zinc/15/36/20/897153620.db2.gz NVAPAMMGHMEURH-UHFFFAOYSA-N 2 2 316.449 1.789 20 30 DDEDLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001367556807 897153629 /nfs/dbraw/zinc/15/36/29/897153629.db2.gz NVAPAMMGHMEURH-UHFFFAOYSA-N 2 2 316.449 1.789 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001367631395 897289445 /nfs/dbraw/zinc/28/94/45/897289445.db2.gz DQYITEWQKVKOHL-KGLIPLIRSA-N 2 2 324.856 1.980 20 30 DDEDLP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001264579456 901188471 /nfs/dbraw/zinc/18/84/71/901188471.db2.gz VIYOTAIPYVZJAH-IAGOWNOFSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266242868 903178047 /nfs/dbraw/zinc/17/80/47/903178047.db2.gz ISVFPVQQRAGKKY-INIZCTEOSA-N 2 2 302.422 1.576 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266242868 903178055 /nfs/dbraw/zinc/17/80/55/903178055.db2.gz ISVFPVQQRAGKKY-INIZCTEOSA-N 2 2 302.422 1.576 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001371627800 905356089 /nfs/dbraw/zinc/35/60/89/905356089.db2.gz YHAXUTVAHKGDOL-ZDUSSCGKSA-N 2 2 310.829 1.543 20 30 DDEDLP C#CC[NH2+][C@H](CCN(C)C(=O)Cc1c[nH+]ccc1OC)C(C)C ZINC001282558754 905869160 /nfs/dbraw/zinc/86/91/60/905869160.db2.gz UTRATWBYLMPZAN-MRXNPFEDSA-N 2 2 317.433 1.729 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393376289 906830292 /nfs/dbraw/zinc/83/02/92/906830292.db2.gz GKCJHNBOIBGYLZ-OLZOCXBDSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393376289 906830301 /nfs/dbraw/zinc/83/03/01/906830301.db2.gz GKCJHNBOIBGYLZ-OLZOCXBDSA-N 2 2 310.829 1.921 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284055767 908405272 /nfs/dbraw/zinc/40/52/72/908405272.db2.gz CAVXDCAGXMKWFR-PBHICJAKSA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001284291495 908781103 /nfs/dbraw/zinc/78/11/03/908781103.db2.gz GSNVQZNLOYXJKW-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001284291495 908781116 /nfs/dbraw/zinc/78/11/16/908781116.db2.gz GSNVQZNLOYXJKW-NFAWXSAZSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001284630252 909275673 /nfs/dbraw/zinc/27/56/73/909275673.db2.gz IQMSYWLTKMFGLJ-CABCVRRESA-N 2 2 304.438 1.978 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001375327236 915610487 /nfs/dbraw/zinc/61/04/87/915610487.db2.gz PKKYLKOZMZDHRD-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001375327236 915610491 /nfs/dbraw/zinc/61/04/91/915610491.db2.gz PKKYLKOZMZDHRD-QGZVFWFLSA-N 2 2 323.400 1.454 20 30 DDEDLP C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638676 365972352 /nfs/dbraw/zinc/97/23/52/365972352.db2.gz OHPDTZLJWAJGEU-CVEARBPZSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623638676 365972353 /nfs/dbraw/zinc/97/23/53/365972353.db2.gz OHPDTZLJWAJGEU-CVEARBPZSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262885320 186318809 /nfs/dbraw/zinc/31/88/09/186318809.db2.gz GDBYENQUOBXRBZ-AWEZNQCLSA-N 2 2 302.422 1.857 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@@H](C)C1 ZINC000087511937 353751394 /nfs/dbraw/zinc/75/13/94/353751394.db2.gz HIWUYIWRFZZKRY-CHWSQXEVSA-N 2 2 306.458 1.730 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320909526 354530279 /nfs/dbraw/zinc/53/02/79/354530279.db2.gz UWXRAMSMCOIKFB-NJAFHUGGSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000320909526 354530282 /nfs/dbraw/zinc/53/02/82/354530282.db2.gz UWXRAMSMCOIKFB-NJAFHUGGSA-N 2 2 315.417 1.514 20 30 DDEDLP C=CCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579571835 354720563 /nfs/dbraw/zinc/72/05/63/354720563.db2.gz CXZIFEKDXBXJLR-IAGOWNOFSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579571835 354720567 /nfs/dbraw/zinc/72/05/67/354720567.db2.gz CXZIFEKDXBXJLR-IAGOWNOFSA-N 2 2 316.449 1.978 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)[C@H]2C1 ZINC000329743351 283061313 /nfs/dbraw/zinc/06/13/13/283061313.db2.gz PXYGWOKOWHRTMU-JMSVASOKSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)[C@H]2C1 ZINC000329743351 283061318 /nfs/dbraw/zinc/06/13/18/283061318.db2.gz PXYGWOKOWHRTMU-JMSVASOKSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)[C@H]2C1 ZINC000329743351 283061322 /nfs/dbraw/zinc/06/13/22/283061322.db2.gz PXYGWOKOWHRTMU-JMSVASOKSA-N 2 2 303.410 1.207 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)[C@H]2C1 ZINC000329743351 283061326 /nfs/dbraw/zinc/06/13/26/283061326.db2.gz PXYGWOKOWHRTMU-JMSVASOKSA-N 2 2 303.410 1.207 20 30 DDEDLP C[NH+]1CCC(CNC(=O)CC2(C#N)CC2)([NH+]2CCCCC2)CC1 ZINC000590280153 355063644 /nfs/dbraw/zinc/06/36/44/355063644.db2.gz KTVFKVATMOQVLZ-UHFFFAOYSA-N 2 2 318.465 1.747 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000596277666 356842246 /nfs/dbraw/zinc/84/22/46/356842246.db2.gz KUXNKPBSQODFFD-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000596277666 356842249 /nfs/dbraw/zinc/84/22/49/356842249.db2.gz KUXNKPBSQODFFD-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258168 360278706 /nfs/dbraw/zinc/27/87/06/360278706.db2.gz NRABBYNNPAJQRY-GDBMZVCRSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000609258168 360278708 /nfs/dbraw/zinc/27/87/08/360278708.db2.gz NRABBYNNPAJQRY-GDBMZVCRSA-N 2 2 301.394 1.328 20 30 DDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000567678618 304233904 /nfs/dbraw/zinc/23/39/04/304233904.db2.gz XMRFMYBZJYSSDA-CPUCHLNUSA-N 2 2 303.406 1.118 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000369835963 285029199 /nfs/dbraw/zinc/02/91/99/285029199.db2.gz RBCCGXJPWXCHSM-ZKXLYKBJSA-N 2 2 321.465 1.927 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000369835963 285029200 /nfs/dbraw/zinc/02/92/00/285029200.db2.gz RBCCGXJPWXCHSM-ZKXLYKBJSA-N 2 2 321.465 1.927 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000112560602 407432889 /nfs/dbraw/zinc/43/28/89/407432889.db2.gz GAVUVVNBHVNTPW-QGZVFWFLSA-N 2 2 317.481 1.922 20 30 DDEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000271205681 407573368 /nfs/dbraw/zinc/57/33/68/407573368.db2.gz KEJRVKVRHRDIND-UHFFFAOYSA-N 3 2 315.421 1.980 20 30 DDEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000186168479 407592645 /nfs/dbraw/zinc/59/26/45/407592645.db2.gz ASWDNHMNOVKLOQ-UHFFFAOYSA-N 2 2 300.406 1.073 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2nc3c(cc2C#N)CCC3)CC1 ZINC000267166364 407776874 /nfs/dbraw/zinc/77/68/74/407776874.db2.gz HASSPEHCMYBOSO-UHFFFAOYSA-N 2 2 313.449 1.880 20 30 DDEDLP C=C(C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000156545971 408263662 /nfs/dbraw/zinc/26/36/62/408263662.db2.gz ITOHZPNKULHZCL-UHFFFAOYSA-N 2 2 308.470 1.812 20 30 DDEDLP C[C@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163079866 408760183 /nfs/dbraw/zinc/76/01/83/408760183.db2.gz LPJLQSJXNLVJKI-CYBMUJFWSA-N 2 2 309.435 1.262 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293047231 409048879 /nfs/dbraw/zinc/04/88/79/409048879.db2.gz HNVJLJZKDRAQBG-UHFFFAOYSA-N 2 2 313.445 1.854 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000293047231 409048881 /nfs/dbraw/zinc/04/88/81/409048881.db2.gz HNVJLJZKDRAQBG-UHFFFAOYSA-N 2 2 313.445 1.854 20 30 DDEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571899 409495219 /nfs/dbraw/zinc/49/52/19/409495219.db2.gz SNGNPXYLMNLWJT-GOEBONIOSA-N 2 2 310.405 1.260 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285571899 409495221 /nfs/dbraw/zinc/49/52/21/409495221.db2.gz SNGNPXYLMNLWJT-GOEBONIOSA-N 2 2 310.405 1.260 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354946613 410196984 /nfs/dbraw/zinc/19/69/84/410196984.db2.gz JFXVHINPAIKFDM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354946613 410196991 /nfs/dbraw/zinc/19/69/91/410196991.db2.gz JFXVHINPAIKFDM-JKSUJKDBSA-N 2 2 323.481 1.595 20 30 DDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331426716 411084183 /nfs/dbraw/zinc/08/41/83/411084183.db2.gz BRZHWWFFRCFEOL-ZIAGYGMSSA-N 2 2 319.453 1.241 20 30 DDEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331426716 411084189 /nfs/dbraw/zinc/08/41/89/411084189.db2.gz BRZHWWFFRCFEOL-ZIAGYGMSSA-N 2 2 319.453 1.241 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000247338775 222228656 /nfs/dbraw/zinc/22/86/56/222228656.db2.gz GPWRLWUBMIJRNT-UKPHBRMFSA-N 2 2 315.421 1.574 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000247338775 222228658 /nfs/dbraw/zinc/22/86/58/222228658.db2.gz GPWRLWUBMIJRNT-UKPHBRMFSA-N 2 2 315.421 1.574 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCSC(C)(C)C1 ZINC000261807492 222258734 /nfs/dbraw/zinc/25/87/34/222258734.db2.gz HJZCDXHBHLLGPX-UHFFFAOYSA-N 2 2 316.540 1.438 20 30 DDEDLP CNC(N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)=[NH+]C ZINC000261862324 222260411 /nfs/dbraw/zinc/26/04/11/222260411.db2.gz ZMJWGPRHOQPQSI-CYBMUJFWSA-N 2 2 306.410 1.073 20 30 DDEDLP CNC(N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)=[NH+]C ZINC000261862324 222260414 /nfs/dbraw/zinc/26/04/14/222260414.db2.gz ZMJWGPRHOQPQSI-CYBMUJFWSA-N 2 2 306.410 1.073 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1cccn1C ZINC000261931625 222262326 /nfs/dbraw/zinc/26/23/26/222262326.db2.gz BLKOEGUBSRLMCZ-UHFFFAOYSA-N 2 2 317.441 1.032 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261947485 222263425 /nfs/dbraw/zinc/26/34/25/222263425.db2.gz GHTWLVASYGCWID-AWEZNQCLSA-N 2 2 314.393 1.007 20 30 DDEDLP CC(C)CCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264136322 222323861 /nfs/dbraw/zinc/32/38/61/222323861.db2.gz ZSVULXXNYUPTAO-UHFFFAOYSA-N 2 2 318.465 1.969 20 30 DDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264138882 222325022 /nfs/dbraw/zinc/32/50/22/222325022.db2.gz VTUQEKPFDSMGGE-KGLIPLIRSA-N 2 2 308.426 1.746 20 30 DDEDLP C[NH+]=C(NCC1(O)CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000262755691 222290788 /nfs/dbraw/zinc/29/07/88/222290788.db2.gz BBTIYQKIVOMYRP-UHFFFAOYSA-N 2 2 322.478 1.356 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1C[C@@H](C)C[C@H](C)C1 ZINC000262805250 222295858 /nfs/dbraw/zinc/29/58/58/222295858.db2.gz SCEKEYIIYHPXQY-STQMWFEESA-N 2 2 306.458 1.539 20 30 DDEDLP C#CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376952920 418703170 /nfs/dbraw/zinc/70/31/70/418703170.db2.gz CBIPARIKYQIINY-MRXNPFEDSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376952920 418703173 /nfs/dbraw/zinc/70/31/73/418703173.db2.gz CBIPARIKYQIINY-MRXNPFEDSA-N 2 2 305.466 1.663 20 30 DDEDLP CN(C(=O)C1(C#N)CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830354 418748182 /nfs/dbraw/zinc/74/81/82/418748182.db2.gz MRGIOHVURQSRON-INIZCTEOSA-N 2 2 318.465 1.697 20 30 DDEDLP CN(C(=O)C1(C#N)CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830354 418748184 /nfs/dbraw/zinc/74/81/84/418748184.db2.gz MRGIOHVURQSRON-INIZCTEOSA-N 2 2 318.465 1.697 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368964322 418726644 /nfs/dbraw/zinc/72/66/44/418726644.db2.gz FRKLYFZBYWMPTJ-DOMZBBRYSA-N 2 2 322.478 1.554 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368964322 418726645 /nfs/dbraw/zinc/72/66/45/418726645.db2.gz FRKLYFZBYWMPTJ-DOMZBBRYSA-N 2 2 322.478 1.554 20 30 DDEDLP CC#CCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372002313 418830559 /nfs/dbraw/zinc/83/05/59/418830559.db2.gz FQICOHSZPWCZAU-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP CC#CCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372002313 418830561 /nfs/dbraw/zinc/83/05/61/418830561.db2.gz FQICOHSZPWCZAU-INIZCTEOSA-N 2 2 305.466 1.807 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000424153705 228236878 /nfs/dbraw/zinc/23/68/78/228236878.db2.gz KXTVMHPZCYBJMY-INIZCTEOSA-N 2 2 316.405 1.478 20 30 DDEDLP C=CCc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415109769 419950097 /nfs/dbraw/zinc/95/00/97/419950097.db2.gz MGUZQLZYCXFSGZ-HNNXBMFYSA-N 2 2 306.406 1.679 20 30 DDEDLP C=CCc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415109769 419950099 /nfs/dbraw/zinc/95/00/99/419950099.db2.gz MGUZQLZYCXFSGZ-HNNXBMFYSA-N 2 2 306.406 1.679 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450369183 421189787 /nfs/dbraw/zinc/18/97/87/421189787.db2.gz NBLCPWIZSGZIQC-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000562200191 421343299 /nfs/dbraw/zinc/34/32/99/421343299.db2.gz PKANUZBGTRSEIX-HNNXBMFYSA-N 2 2 319.478 1.615 20 30 DDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000562200191 421343301 /nfs/dbraw/zinc/34/33/01/421343301.db2.gz PKANUZBGTRSEIX-HNNXBMFYSA-N 2 2 319.478 1.615 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069064 421716272 /nfs/dbraw/zinc/71/62/72/421716272.db2.gz UDFHDYCBYAKKGG-ZIAGYGMSSA-N 2 2 303.410 1.218 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069064 421716274 /nfs/dbraw/zinc/71/62/74/421716274.db2.gz UDFHDYCBYAKKGG-ZIAGYGMSSA-N 2 2 303.410 1.218 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573100833 421919373 /nfs/dbraw/zinc/91/93/73/421919373.db2.gz CPUBQHBHQFZGSV-INIZCTEOSA-N 2 2 317.433 1.714 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573100833 421919379 /nfs/dbraw/zinc/91/93/79/421919379.db2.gz CPUBQHBHQFZGSV-INIZCTEOSA-N 2 2 317.433 1.714 20 30 DDEDLP C=CCOc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651890090 423728563 /nfs/dbraw/zinc/72/85/63/423728563.db2.gz MTVGSOBWIVIJTR-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CCOc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651890090 423728575 /nfs/dbraw/zinc/72/85/75/423728575.db2.gz MTVGSOBWIVIJTR-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662658350 424724802 /nfs/dbraw/zinc/72/48/02/424724802.db2.gz DNLWCZXFSKZYAU-QGZVFWFLSA-N 2 2 300.406 1.429 20 30 DDEDLP CCN1CC[NH+](CCCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352843932 266149474 /nfs/dbraw/zinc/14/94/74/266149474.db2.gz DDWIGHQNIIMVSC-UHFFFAOYSA-N 2 2 307.467 1.522 20 30 DDEDLP C[C@@H]1CN(Cc2nc(C#N)cs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000356294515 267055570 /nfs/dbraw/zinc/05/55/70/267055570.db2.gz ABXMZGFPDMSKKU-CYBMUJFWSA-N 2 2 319.478 1.615 20 30 DDEDLP C[C@@H]1CN(Cc2nc(C#N)cs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000356294515 267055574 /nfs/dbraw/zinc/05/55/74/267055574.db2.gz ABXMZGFPDMSKKU-CYBMUJFWSA-N 2 2 319.478 1.615 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC001120588902 782041164 /nfs/dbraw/zinc/04/11/64/782041164.db2.gz HYZDLCAPQWWNGZ-RBUKOAKNSA-N 2 2 316.445 1.548 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000262474604 278159460 /nfs/dbraw/zinc/15/94/60/278159460.db2.gz PUQGIAXFJWGKSH-CHWSQXEVSA-N 2 2 322.478 1.530 20 30 DDEDLP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000262474604 278159463 /nfs/dbraw/zinc/15/94/63/278159463.db2.gz PUQGIAXFJWGKSH-CHWSQXEVSA-N 2 2 322.478 1.530 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000150793534 332195640 /nfs/dbraw/zinc/19/56/40/332195640.db2.gz ZIIGNSMPHJHVTK-MRXNPFEDSA-N 2 2 318.465 1.747 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000150793534 332195642 /nfs/dbraw/zinc/19/56/42/332195642.db2.gz ZIIGNSMPHJHVTK-MRXNPFEDSA-N 2 2 318.465 1.747 20 30 DDEDLP C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675556028 485975536 /nfs/dbraw/zinc/97/55/36/485975536.db2.gz GQCQYRVLUGWCQB-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675556028 485975542 /nfs/dbraw/zinc/97/55/42/485975542.db2.gz GQCQYRVLUGWCQB-OAHLLOKOSA-N 2 2 324.469 1.047 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181069 528985472 /nfs/dbraw/zinc/98/54/72/528985472.db2.gz NUVTVQXSUAHSFC-CQSZACIVSA-N 2 2 305.426 1.574 20 30 DDEDLP CC(C)[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181069 528985476 /nfs/dbraw/zinc/98/54/76/528985476.db2.gz NUVTVQXSUAHSFC-CQSZACIVSA-N 2 2 305.426 1.574 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402194 695240783 /nfs/dbraw/zinc/24/07/83/695240783.db2.gz OQAIADLPTXUJLM-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402194 695240784 /nfs/dbraw/zinc/24/07/84/695240784.db2.gz OQAIADLPTXUJLM-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402194 695240785 /nfs/dbraw/zinc/24/07/85/695240785.db2.gz OQAIADLPTXUJLM-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402194 695240786 /nfs/dbraw/zinc/24/07/86/695240786.db2.gz OQAIADLPTXUJLM-WMZOPIPTSA-N 2 2 321.465 1.350 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978372350 696372387 /nfs/dbraw/zinc/37/23/87/696372387.db2.gz VBRNHBFBBJIBCM-QKDCVEJESA-N 2 2 308.385 1.494 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978372350 696372389 /nfs/dbraw/zinc/37/23/89/696372389.db2.gz VBRNHBFBBJIBCM-QKDCVEJESA-N 2 2 308.385 1.494 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740718 696899041 /nfs/dbraw/zinc/89/90/41/696899041.db2.gz ZGRCEBPHNUBFEN-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000981740718 696899047 /nfs/dbraw/zinc/89/90/47/696899047.db2.gz ZGRCEBPHNUBFEN-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981805620 696923351 /nfs/dbraw/zinc/92/33/51/696923351.db2.gz AYPIKVMXSYSMMU-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981805620 696923353 /nfs/dbraw/zinc/92/33/53/696923353.db2.gz AYPIKVMXSYSMMU-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981805620 696923356 /nfs/dbraw/zinc/92/33/56/696923356.db2.gz AYPIKVMXSYSMMU-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981805620 696923357 /nfs/dbraw/zinc/92/33/57/696923357.db2.gz AYPIKVMXSYSMMU-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP CCC(CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCOCC1 ZINC000303778022 698606156 /nfs/dbraw/zinc/60/61/56/698606156.db2.gz JGNVFSHNOLUUGL-DZGCQCFKSA-N 2 2 314.474 1.063 20 30 DDEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCO1 ZINC000812756902 702234721 /nfs/dbraw/zinc/23/47/21/702234721.db2.gz CDASSGBIERHDKC-HOTGVXAUSA-N 2 2 308.422 1.174 20 30 DDEDLP C=C[C@@H](C)ONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000845633179 703185071 /nfs/dbraw/zinc/18/50/71/703185071.db2.gz DJQHJAKHPBWVBF-OAHLLOKOSA-N 2 2 324.469 1.742 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819023933 704053864 /nfs/dbraw/zinc/05/38/64/704053864.db2.gz LMESLLMUYUCMBQ-INIZCTEOSA-N 2 2 305.378 1.868 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000876712814 705833704 /nfs/dbraw/zinc/83/37/04/705833704.db2.gz CJCKYVFQQGOWTH-ZDUSSCGKSA-N 2 2 313.854 1.862 20 30 DDEDLP C#CCOc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000827891612 706083009 /nfs/dbraw/zinc/08/30/09/706083009.db2.gz LTKTUTGEDNVMNZ-UHFFFAOYSA-N 2 2 310.401 1.754 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131307 708966481 /nfs/dbraw/zinc/96/64/81/708966481.db2.gz VLKWKPANYVETCE-GJZGRUSLSA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131307 708966484 /nfs/dbraw/zinc/96/64/84/708966484.db2.gz VLKWKPANYVETCE-GJZGRUSLSA-N 2 2 315.421 1.353 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000900693473 709714721 /nfs/dbraw/zinc/71/47/21/709714721.db2.gz UDAYXQQXRUQLNR-UHFFFAOYSA-N 2 2 313.445 1.766 20 30 DDEDLP C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000900693473 709714723 /nfs/dbraw/zinc/71/47/23/709714723.db2.gz UDAYXQQXRUQLNR-UHFFFAOYSA-N 2 2 313.445 1.766 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000928657042 713254871 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C#CCC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121034205 782309916 /nfs/dbraw/zinc/30/99/16/782309916.db2.gz YQSOYOOVYPRCTD-UHFFFAOYSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638013 733392009 /nfs/dbraw/zinc/39/20/09/733392009.db2.gz GOPUDFZOHJGASC-JKSUJKDBSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677076 733433986 /nfs/dbraw/zinc/43/39/86/733433986.db2.gz GFPGJTCKMONLDK-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021677076 733433987 /nfs/dbraw/zinc/43/39/87/733433987.db2.gz GFPGJTCKMONLDK-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021704706 733469346 /nfs/dbraw/zinc/46/93/46/733469346.db2.gz UPOOOLRCOVBBAD-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021704706 733469348 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30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966188 742288108 /nfs/dbraw/zinc/28/81/08/742288108.db2.gz RUXDTYMMVJKPIR-SOUVJXGZSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075966188 742288111 /nfs/dbraw/zinc/28/81/11/742288111.db2.gz RUXDTYMMVJKPIR-SOUVJXGZSA-N 2 2 300.406 1.164 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628580 751724836 /nfs/dbraw/zinc/72/48/36/751724836.db2.gz HVGWNELAFDDDPZ-RLFYNMQTSA-N 2 2 321.440 1.507 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628580 751724841 /nfs/dbraw/zinc/72/48/41/751724841.db2.gz HVGWNELAFDDDPZ-RLFYNMQTSA-N 2 2 321.440 1.507 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628580 751724843 /nfs/dbraw/zinc/72/48/43/751724843.db2.gz HVGWNELAFDDDPZ-RLFYNMQTSA-N 2 2 321.440 1.507 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181885188 743378268 /nfs/dbraw/zinc/37/82/68/743378268.db2.gz RYTQDPFLBKTPRI-RDTXWAMCSA-N 2 2 316.449 1.634 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001183774320 743902175 /nfs/dbraw/zinc/90/21/75/743902175.db2.gz YOJFSQGWWHTBBR-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001183774320 743902176 /nfs/dbraw/zinc/90/21/76/743902176.db2.gz YOJFSQGWWHTBBR-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185216086 744181956 /nfs/dbraw/zinc/18/19/56/744181956.db2.gz NXFHAFOPQSDHGS-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185575905 744250308 /nfs/dbraw/zinc/25/03/08/744250308.db2.gz XRFCVFBARPSNPN-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185787271 744285458 /nfs/dbraw/zinc/28/54/58/744285458.db2.gz DMZSJYNGOJMWHO-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001186010477 744325939 /nfs/dbraw/zinc/32/59/39/744325939.db2.gz BYXSWNIZYLGTLM-MRXNPFEDSA-N 2 2 321.465 1.398 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001186761845 744443127 /nfs/dbraw/zinc/44/31/27/744443127.db2.gz FJQOPELGFNNNBY-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035844382 751940858 /nfs/dbraw/zinc/94/08/58/751940858.db2.gz RHIKRZNBJFYGOV-UHFFFAOYSA-N 2 2 300.406 1.208 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992452169 744883805 /nfs/dbraw/zinc/88/38/05/744883805.db2.gz ZJBYMWNMHDARRG-WBVHZDCISA-N 2 2 302.422 1.950 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC000992452169 744883808 /nfs/dbraw/zinc/88/38/08/744883808.db2.gz ZJBYMWNMHDARRG-WBVHZDCISA-N 2 2 302.422 1.950 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343178 745616008 /nfs/dbraw/zinc/61/60/08/745616008.db2.gz SUHQMNKVEPHAJP-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336809 746009389 /nfs/dbraw/zinc/00/93/89/746009389.db2.gz MYXWBSVDHRGZSW-GOEBONIOSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993336809 746009395 /nfs/dbraw/zinc/00/93/95/746009395.db2.gz MYXWBSVDHRGZSW-GOEBONIOSA-N 2 2 316.449 1.917 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193795473 746192636 /nfs/dbraw/zinc/19/26/36/746192636.db2.gz JLGQIMTUVDJOJA-INIZCTEOSA-N 2 2 320.437 1.088 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193795473 746192639 /nfs/dbraw/zinc/19/26/39/746192639.db2.gz JLGQIMTUVDJOJA-INIZCTEOSA-N 2 2 320.437 1.088 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001007519009 752185315 /nfs/dbraw/zinc/18/53/15/752185315.db2.gz GMZMFGYEHFTSCZ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001007519009 752185321 /nfs/dbraw/zinc/18/53/21/752185321.db2.gz GMZMFGYEHFTSCZ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001007519009 752185327 /nfs/dbraw/zinc/18/53/27/752185327.db2.gz GMZMFGYEHFTSCZ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001007519009 752185332 /nfs/dbraw/zinc/18/53/32/752185332.db2.gz GMZMFGYEHFTSCZ-SJORKVTESA-N 2 2 303.450 1.631 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200649179 748314516 /nfs/dbraw/zinc/31/45/16/748314516.db2.gz XNEDKFPWADJGOW-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200649179 748314524 /nfs/dbraw/zinc/31/45/24/748314524.db2.gz XNEDKFPWADJGOW-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001200806436 748351462 /nfs/dbraw/zinc/35/14/62/748351462.db2.gz QGGOGMBQWDIZDV-CQSZACIVSA-N 2 2 312.373 1.017 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007703621 752283212 /nfs/dbraw/zinc/28/32/12/752283212.db2.gz ILLMTVMMMHIKGB-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007703621 752283214 /nfs/dbraw/zinc/28/32/14/752283214.db2.gz ILLMTVMMMHIKGB-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201482512 748533621 /nfs/dbraw/zinc/53/36/21/748533621.db2.gz JDZIFDMDBONFQI-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484006 748534784 /nfs/dbraw/zinc/53/47/84/748534784.db2.gz PUDKYOWLBRYQMV-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201613073 748560221 /nfs/dbraw/zinc/56/02/21/748560221.db2.gz XBTKGZZLJIAUMI-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201613073 748560225 /nfs/dbraw/zinc/56/02/25/748560225.db2.gz XBTKGZZLJIAUMI-HOCLYGCPSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524919 748733565 /nfs/dbraw/zinc/73/35/65/748733565.db2.gz POAWODKAPQJROR-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)C[NH+](CC)CC)c2C1 ZINC001128524919 748733569 /nfs/dbraw/zinc/73/35/69/748733569.db2.gz POAWODKAPQJROR-UHFFFAOYSA-N 2 2 319.453 1.233 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446251 748783192 /nfs/dbraw/zinc/78/31/92/748783192.db2.gz ABUSIODSFQUGIG-AWEZNQCLSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044571 748811857 /nfs/dbraw/zinc/81/18/57/748811857.db2.gz HLRTZNBLKAOTQE-OIISXLGYSA-N 2 2 316.449 1.554 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995977477 749312224 /nfs/dbraw/zinc/31/22/24/749312224.db2.gz FZEWMXQEWWOYNA-DZGCQCFKSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554415 749531542 /nfs/dbraw/zinc/53/15/42/749531542.db2.gz MGDQHSRCXYWWBJ-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554415 749531548 /nfs/dbraw/zinc/53/15/48/749531548.db2.gz MGDQHSRCXYWWBJ-MRXNPFEDSA-N 2 2 323.400 1.437 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432646 749950145 /nfs/dbraw/zinc/95/01/45/749950145.db2.gz SMBGPCMODBNSLL-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432646 749950146 /nfs/dbraw/zinc/95/01/46/749950146.db2.gz SMBGPCMODBNSLL-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432646 749950148 /nfs/dbraw/zinc/95/01/48/749950148.db2.gz SMBGPCMODBNSLL-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432646 749950149 /nfs/dbraw/zinc/95/01/49/749950149.db2.gz SMBGPCMODBNSLL-NVXWUHKLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005431287 750055659 /nfs/dbraw/zinc/05/56/59/750055659.db2.gz IESBAMCNSSRZNF-UHFFFAOYSA-N 2 2 316.449 1.871 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001034643995 750626039 /nfs/dbraw/zinc/62/60/39/750626039.db2.gz GMZMFXNUYAXJQA-WKILWMFISA-N 2 2 310.401 1.907 20 30 DDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034675000 750666712 /nfs/dbraw/zinc/66/67/12/750666712.db2.gz QKCHGKLZCNSULP-RBSFLKMASA-N 2 2 302.422 1.649 20 30 DDEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259813 751336349 /nfs/dbraw/zinc/33/63/49/751336349.db2.gz VGCFMUSBKWPZOG-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259813 751336354 /nfs/dbraw/zinc/33/63/54/751336354.db2.gz VGCFMUSBKWPZOG-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999534618 752979481 /nfs/dbraw/zinc/97/94/81/752979481.db2.gz GQSHNCGDXLZNAS-KGLIPLIRSA-N 2 2 322.840 1.779 20 30 DDEDLP C[Si](C)(C)C#Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169074258 762222045 /nfs/dbraw/zinc/22/20/45/762222045.db2.gz HWHNCWQMVZOIGF-CYBMUJFWSA-N 2 2 314.465 1.358 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)CC1 ZINC001032800400 754060488 /nfs/dbraw/zinc/06/04/88/754060488.db2.gz HCRFHLHPZUWPLK-XSDWHBAISA-N 2 2 321.852 1.369 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)CC1 ZINC001032800400 754060493 /nfs/dbraw/zinc/06/04/93/754060493.db2.gz HCRFHLHPZUWPLK-XSDWHBAISA-N 2 2 321.852 1.369 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001079879173 755618612 /nfs/dbraw/zinc/61/86/12/755618612.db2.gz CYIQEVWQKCDKOX-NXHRZFHOSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001079879173 755618616 /nfs/dbraw/zinc/61/86/16/755618616.db2.gz CYIQEVWQKCDKOX-NXHRZFHOSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001079879173 755618620 /nfs/dbraw/zinc/61/86/20/755618620.db2.gz CYIQEVWQKCDKOX-NXHRZFHOSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001079879173 755618623 /nfs/dbraw/zinc/61/86/23/755618623.db2.gz CYIQEVWQKCDKOX-NXHRZFHOSA-N 2 2 319.493 1.957 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998465 756063369 /nfs/dbraw/zinc/06/33/69/756063369.db2.gz CCVWIVGJYVSFNC-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP 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/nfs/dbraw/zinc/50/20/26/757502026.db2.gz LCCYFANFSIBDND-HNNXBMFYSA-N 2 2 302.422 1.807 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017510959 757987290 /nfs/dbraw/zinc/98/72/90/757987290.db2.gz CAJYMDGHTZUOTJ-GASCZTMLSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017510959 757987296 /nfs/dbraw/zinc/98/72/96/757987296.db2.gz CAJYMDGHTZUOTJ-GASCZTMLSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029197 758164936 /nfs/dbraw/zinc/16/49/36/758164936.db2.gz QWHRVWMYYWYOBL-FMKPAKJESA-N 2 2 312.417 1.386 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]21 ZINC001085029197 758164942 /nfs/dbraw/zinc/16/49/42/758164942.db2.gz QWHRVWMYYWYOBL-FMKPAKJESA-N 2 2 312.417 1.386 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053421 758181113 /nfs/dbraw/zinc/18/11/13/758181113.db2.gz UKPZRWOCLRELIO-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]21 ZINC001085053421 758181121 /nfs/dbraw/zinc/18/11/21/758181121.db2.gz UKPZRWOCLRELIO-UXLLHSPISA-N 2 2 314.433 1.534 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018009049 758469608 /nfs/dbraw/zinc/46/96/08/758469608.db2.gz RUOLTASCSATZCF-HRCADAONSA-N 2 2 300.406 1.533 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001018009049 758469611 /nfs/dbraw/zinc/46/96/11/758469611.db2.gz RUOLTASCSATZCF-HRCADAONSA-N 2 2 300.406 1.533 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619616 758638041 /nfs/dbraw/zinc/63/80/41/758638041.db2.gz UFVCHEAIAWDFCC-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619616 758638046 /nfs/dbraw/zinc/63/80/46/758638046.db2.gz UFVCHEAIAWDFCC-HZPDHXFCSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001040723387 762660829 /nfs/dbraw/zinc/66/08/29/762660829.db2.gz IUXWJXFPLPLEQI-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040723387 762660832 /nfs/dbraw/zinc/66/08/32/762660832.db2.gz IUXWJXFPLPLEQI-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173901 759254227 /nfs/dbraw/zinc/25/42/27/759254227.db2.gz VNGKSKHESNKIEX-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173901 759254233 /nfs/dbraw/zinc/25/42/33/759254233.db2.gz VNGKSKHESNKIEX-KRWDZBQOSA-N 2 2 300.406 1.221 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684790 760008532 /nfs/dbraw/zinc/00/85/32/760008532.db2.gz BPBFPGOVXPDVFA-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684790 760008540 /nfs/dbraw/zinc/00/85/40/760008540.db2.gz BPBFPGOVXPDVFA-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001019564378 760066063 /nfs/dbraw/zinc/06/60/63/760066063.db2.gz MOKOAUZPIYFGAL-NSHDSACASA-N 2 2 315.402 1.276 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001054941546 760209426 /nfs/dbraw/zinc/20/94/26/760209426.db2.gz LXJAIDKVZHNIDU-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086125602 761020478 /nfs/dbraw/zinc/02/04/78/761020478.db2.gz DIQQYBBZLARKTQ-MELADBBJSA-N 2 2 322.840 1.682 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001040913593 762732424 /nfs/dbraw/zinc/73/24/24/762732424.db2.gz BLWMUENQXJSNOF-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001040924991 762735881 /nfs/dbraw/zinc/73/58/81/762735881.db2.gz BJVXBVYYMZHSPR-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001001555508 762956558 /nfs/dbraw/zinc/95/65/58/762956558.db2.gz ADRKOJGGCZSAMW-OAHLLOKOSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001001555508 762956563 /nfs/dbraw/zinc/95/65/63/762956563.db2.gz ADRKOJGGCZSAMW-OAHLLOKOSA-N 2 2 316.449 1.837 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001050048753 763062863 /nfs/dbraw/zinc/06/28/63/763062863.db2.gz KETSQMBSFWDHPF-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001050048753 763062869 /nfs/dbraw/zinc/06/28/69/763062869.db2.gz KETSQMBSFWDHPF-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001050541116 763731778 /nfs/dbraw/zinc/73/17/78/763731778.db2.gz CCDSTSASIIFDTC-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001050541116 763731782 /nfs/dbraw/zinc/73/17/82/763731782.db2.gz CCDSTSASIIFDTC-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109548150 763805251 /nfs/dbraw/zinc/80/52/51/763805251.db2.gz PRWABZKBWDFFPJ-ILXRZTDVSA-N 2 2 302.422 1.650 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109548150 763805256 /nfs/dbraw/zinc/80/52/56/763805256.db2.gz PRWABZKBWDFFPJ-ILXRZTDVSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314715 763904314 /nfs/dbraw/zinc/90/43/14/763904314.db2.gz VMLJCHINOUHNPH-HOCLYGCPSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314715 763904318 /nfs/dbraw/zinc/90/43/18/763904318.db2.gz VMLJCHINOUHNPH-HOCLYGCPSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110050979 764336836 /nfs/dbraw/zinc/33/68/36/764336836.db2.gz HHMATKDDYKINRN-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110050979 764336841 /nfs/dbraw/zinc/33/68/41/764336841.db2.gz HHMATKDDYKINRN-KBMXLJTQSA-N 2 2 302.422 1.650 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001044167928 765360313 /nfs/dbraw/zinc/36/03/13/765360313.db2.gz CESMPZZUKZDGGN-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001044167928 765360325 /nfs/dbraw/zinc/36/03/25/765360325.db2.gz CESMPZZUKZDGGN-QGZVFWFLSA-N 2 2 305.466 1.807 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276075 765662873 /nfs/dbraw/zinc/66/28/73/765662873.db2.gz WOCKMYOMCCXJRN-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276075 765662877 /nfs/dbraw/zinc/66/28/77/765662877.db2.gz WOCKMYOMCCXJRN-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276075 765662882 /nfs/dbraw/zinc/66/28/82/765662882.db2.gz WOCKMYOMCCXJRN-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276075 765662883 /nfs/dbraw/zinc/66/28/83/765662883.db2.gz WOCKMYOMCCXJRN-ZIAGYGMSSA-N 2 2 315.845 1.040 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044601991 765689495 /nfs/dbraw/zinc/68/94/95/765689495.db2.gz GEKAVVQCZJFDJJ-CZUORRHYSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052407012 765797822 /nfs/dbraw/zinc/79/78/22/765797822.db2.gz SFPJEBJZODRVHI-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001052407012 765797827 /nfs/dbraw/zinc/79/78/27/765797827.db2.gz SFPJEBJZODRVHI-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504248 765894405 /nfs/dbraw/zinc/89/44/05/765894405.db2.gz GFVJCZPGZBKADN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504248 765894411 /nfs/dbraw/zinc/89/44/11/765894411.db2.gz GFVJCZPGZBKADN-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507071 765901361 /nfs/dbraw/zinc/90/13/61/765901361.db2.gz REGTXCBGYHJHMX-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001052507071 765901363 /nfs/dbraw/zinc/90/13/63/765901363.db2.gz REGTXCBGYHJHMX-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507071 765901366 /nfs/dbraw/zinc/90/13/66/765901366.db2.gz REGTXCBGYHJHMX-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001052507071 765901368 /nfs/dbraw/zinc/90/13/68/765901368.db2.gz REGTXCBGYHJHMX-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532476 768962668 /nfs/dbraw/zinc/96/26/68/768962668.db2.gz DKSSDDOPKLNAAU-LSDHHAIUSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532476 768962673 /nfs/dbraw/zinc/96/26/73/768962673.db2.gz DKSSDDOPKLNAAU-LSDHHAIUSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248202 769190028 /nfs/dbraw/zinc/19/00/28/769190028.db2.gz GQOGBKJWMMCWHA-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248202 769190034 /nfs/dbraw/zinc/19/00/34/769190034.db2.gz GQOGBKJWMMCWHA-RDJZCZTQSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133364629 769748725 /nfs/dbraw/zinc/74/87/25/769748725.db2.gz ZOGSGGCESSEZHT-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@H]2C1 ZINC001048820413 769941940 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301.434 1.335 20 30 DDEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402082 770988249 /nfs/dbraw/zinc/98/82/49/770988249.db2.gz ANXAHZORWWYPAK-CABCVRRESA-N 2 2 316.449 1.658 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611117 771017432 /nfs/dbraw/zinc/01/74/32/771017432.db2.gz HIRPQVOWTHHFQY-HZPDHXFCSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611117 771017437 /nfs/dbraw/zinc/01/74/37/771017437.db2.gz HIRPQVOWTHHFQY-HZPDHXFCSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)CC1 ZINC001096608582 771291640 /nfs/dbraw/zinc/29/16/40/771291640.db2.gz ZDUPAFKFNUHNFS-PMPSAXMXSA-N 2 2 307.413 1.023 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)CC1 ZINC001096608582 771291642 /nfs/dbraw/zinc/29/16/42/771291642.db2.gz ZDUPAFKFNUHNFS-PMPSAXMXSA-N 2 2 307.413 1.023 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 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DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716737 774390451 /nfs/dbraw/zinc/39/04/51/774390451.db2.gz LFQRKWVBBVBBRJ-IRXDYDNUSA-N 2 2 322.412 1.812 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC[C@@H]21 ZINC001036716737 774390458 /nfs/dbraw/zinc/39/04/58/774390458.db2.gz LFQRKWVBBVBBRJ-IRXDYDNUSA-N 2 2 322.412 1.812 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098405597 774567627 /nfs/dbraw/zinc/56/76/27/774567627.db2.gz GSTKOVCGRGBTHN-MCIONIFRSA-N 2 2 308.813 1.666 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098405597 774567633 /nfs/dbraw/zinc/56/76/33/774567633.db2.gz GSTKOVCGRGBTHN-MCIONIFRSA-N 2 2 308.813 1.666 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777578 774591250 /nfs/dbraw/zinc/59/12/50/774591250.db2.gz FCZAFMXRDBSXMU-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 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C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485727 776294856 /nfs/dbraw/zinc/29/48/56/776294856.db2.gz CSXZVTNMRHGONG-AWEZNQCLSA-N 2 2 303.406 1.531 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094972300 776915790 /nfs/dbraw/zinc/91/57/90/776915790.db2.gz BKUAIMHKTSXWGU-ZNMIVQPWSA-N 2 2 322.840 1.995 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159590 778677663 /nfs/dbraw/zinc/67/76/63/778677663.db2.gz PYIJQISBHTWNKW-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159590 778677668 /nfs/dbraw/zinc/67/76/68/778677668.db2.gz PYIJQISBHTWNKW-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103478958 778888066 /nfs/dbraw/zinc/88/80/66/778888066.db2.gz FAGCMXRFLBVWBJ-IXDOHACOSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 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/nfs/dbraw/zinc/30/17/31/838301731.db2.gz GXBIBFKDSDOXIT-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557521 838301740 /nfs/dbraw/zinc/30/17/40/838301740.db2.gz GXBIBFKDSDOXIT-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267557521 838301746 /nfs/dbraw/zinc/30/17/46/838301746.db2.gz GXBIBFKDSDOXIT-RRFJBIMHSA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267586398 838370990 /nfs/dbraw/zinc/37/09/90/838370990.db2.gz QNNRUNADBMTUHB-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267586398 838370998 /nfs/dbraw/zinc/37/09/98/838370998.db2.gz QNNRUNADBMTUHB-JKSUJKDBSA-N 2 2 316.449 1.802 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267725164 838745648 /nfs/dbraw/zinc/74/56/48/838745648.db2.gz IGEBPDGSSVUOLU-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267725164 838745655 /nfs/dbraw/zinc/74/56/55/838745655.db2.gz IGEBPDGSSVUOLU-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001267857161 839085405 /nfs/dbraw/zinc/08/54/05/839085405.db2.gz VFBMRGGVVJKORW-GUYCJALGSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001267856556 839088648 /nfs/dbraw/zinc/08/86/48/839088648.db2.gz ODRQZWQPKXNHJN-KRWDZBQOSA-N 2 2 303.406 1.693 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268828907 840876446 /nfs/dbraw/zinc/87/64/46/840876446.db2.gz PUSAXHWARBEJTJ-UHFFFAOYSA-N 2 2 302.422 1.386 20 30 DDEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269078945 841181484 /nfs/dbraw/zinc/18/14/84/841181484.db2.gz AGDRFFPEDCGVCF-DLBZAZTESA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269084920 841183359 /nfs/dbraw/zinc/18/33/59/841183359.db2.gz OZSPPQIOJAOJFB-DOTOQJQBSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001269973524 842195108 /nfs/dbraw/zinc/19/51/08/842195108.db2.gz ULHSTKKNJOLALY-ZIAGYGMSSA-N 2 2 306.410 1.124 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001271752311 843841203 /nfs/dbraw/zinc/84/12/03/843841203.db2.gz QEKGWXDDZNDSQJ-GDBMZVCRSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001326699332 861551924 /nfs/dbraw/zinc/55/19/24/861551924.db2.gz WOPJMXFTDFLVLD-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001326699332 861551933 /nfs/dbraw/zinc/55/19/33/861551933.db2.gz WOPJMXFTDFLVLD-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001272471097 846170676 /nfs/dbraw/zinc/17/06/76/846170676.db2.gz SLAXPIUETLNMDO-UONOGXRCSA-N 2 2 316.405 1.369 20 30 DDEDLP C#CCN1CC[C@]2(CCC[N@@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717001 846706337 /nfs/dbraw/zinc/70/63/37/846706337.db2.gz OZKZLTWHGQZTSH-GOSISDBHSA-N 2 2 303.450 1.563 20 30 DDEDLP C#CCN1CC[C@]2(CCC[N@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717001 846706344 /nfs/dbraw/zinc/70/63/44/846706344.db2.gz OZKZLTWHGQZTSH-GOSISDBHSA-N 2 2 303.450 1.563 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001273107530 847922616 /nfs/dbraw/zinc/92/26/16/847922616.db2.gz ZYSXPXNJDRZJKT-AWEZNQCLSA-N 2 2 300.406 1.097 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034215911 848123928 /nfs/dbraw/zinc/12/39/28/848123928.db2.gz BYGUYLSYKGGLSL-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034215911 848123929 /nfs/dbraw/zinc/12/39/29/848123929.db2.gz BYGUYLSYKGGLSL-HNNXBMFYSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034250871 848167427 /nfs/dbraw/zinc/16/74/27/848167427.db2.gz XWVNUKZZTFKSKO-GRLYAWNKSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC001034250871 848167429 /nfs/dbraw/zinc/16/74/29/848167429.db2.gz XWVNUKZZTFKSKO-GRLYAWNKSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C/C=C/Cl)C1 ZINC001034250871 848167431 /nfs/dbraw/zinc/16/74/31/848167431.db2.gz XWVNUKZZTFKSKO-GRLYAWNKSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C/C=C/Cl)C1 ZINC001034250871 848167432 /nfs/dbraw/zinc/16/74/32/848167432.db2.gz XWVNUKZZTFKSKO-GRLYAWNKSA-N 2 2 323.868 1.807 20 30 DDEDLP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001327225385 861978034 /nfs/dbraw/zinc/97/80/34/861978034.db2.gz MFPYPFFNGCZWDN-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001327225385 861978040 /nfs/dbraw/zinc/97/80/40/861978040.db2.gz MFPYPFFNGCZWDN-HNNXBMFYSA-N 2 2 302.422 1.249 20 30 DDEDLP CC(C)c1ccc(C#N)c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155371589 862004401 /nfs/dbraw/zinc/00/44/01/862004401.db2.gz BRAZFNVLGPCNAJ-MRXNPFEDSA-N 2 2 313.449 1.936 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001273437128 850408267 /nfs/dbraw/zinc/40/82/67/850408267.db2.gz IXHATSYGWWEZFV-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001273437128 850408272 /nfs/dbraw/zinc/40/82/72/850408272.db2.gz IXHATSYGWWEZFV-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380565 862207534 /nfs/dbraw/zinc/20/75/34/862207534.db2.gz VMFSMEIBNIVWGS-GJZGRUSLSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380565 862207553 /nfs/dbraw/zinc/20/75/53/862207553.db2.gz VMFSMEIBNIVWGS-GJZGRUSLSA-N 2 2 306.410 1.227 20 30 DDEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001327511404 862228758 /nfs/dbraw/zinc/22/87/58/862228758.db2.gz FUHWNJUJKJXLKC-GOSISDBHSA-N 2 2 313.445 1.811 20 30 DDEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001327511404 862228778 /nfs/dbraw/zinc/22/87/78/862228778.db2.gz FUHWNJUJKJXLKC-GOSISDBHSA-N 2 2 313.445 1.811 20 30 DDEDLP Cc1c[nH+]c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(/C=N/O)c1 ZINC001155599746 862276382 /nfs/dbraw/zinc/27/63/82/862276382.db2.gz SKADFBFLTVBIRX-HIKNENMJSA-N 2 2 304.394 1.769 20 30 DDEDLP C=CCCC[NH2+]CC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001274543497 852379831 /nfs/dbraw/zinc/37/98/31/852379831.db2.gz JMFPEJGIYVPTRU-UHFFFAOYSA-N 2 2 320.437 1.183 20 30 DDEDLP C=CCn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cn1 ZINC001275381003 853041684 /nfs/dbraw/zinc/04/16/84/853041684.db2.gz CDPDZXKPTRHXIZ-UHFFFAOYSA-N 2 2 303.454 1.138 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3O)[C@@H]2C1 ZINC001275550580 853320194 /nfs/dbraw/zinc/32/01/94/853320194.db2.gz MBRQSIFJHVQQJP-DOTOQJQBSA-N 2 2 314.433 1.332 20 30 DDEDLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)[C@@H]2C1 ZINC001275550580 853320202 /nfs/dbraw/zinc/32/02/02/853320202.db2.gz MBRQSIFJHVQQJP-DOTOQJQBSA-N 2 2 314.433 1.332 20 30 DDEDLP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001276254599 855061380 /nfs/dbraw/zinc/06/13/80/855061380.db2.gz DVYUJSPQKZRPRZ-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001122140425 858695155 /nfs/dbraw/zinc/69/51/55/858695155.db2.gz FFRAYBIESMUUFD-UHFFFAOYSA-N 2 2 316.449 1.946 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014068 860595537 /nfs/dbraw/zinc/59/55/37/860595537.db2.gz NOACHKJYZQFTDE-HUUCEWRRSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014068 860595541 /nfs/dbraw/zinc/59/55/41/860595541.db2.gz NOACHKJYZQFTDE-HUUCEWRRSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001329849733 863893976 /nfs/dbraw/zinc/89/39/76/863893976.db2.gz VPZKETVZUFICLG-OAHLLOKOSA-N 2 2 302.422 1.876 20 30 DDEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001330852784 864655530 /nfs/dbraw/zinc/65/55/30/864655530.db2.gz SMJONCMEBWAERM-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331294198 864993905 /nfs/dbraw/zinc/99/39/05/864993905.db2.gz IGKNJSLVUMMABH-CVEARBPZSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430666 865834873 /nfs/dbraw/zinc/83/48/73/865834873.db2.gz DTCGCSDZDDHPAB-HZPDHXFCSA-N 2 2 312.417 1.675 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430666 865834884 /nfs/dbraw/zinc/83/48/84/865834884.db2.gz DTCGCSDZDDHPAB-HZPDHXFCSA-N 2 2 312.417 1.675 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430666 865834896 /nfs/dbraw/zinc/83/48/96/865834896.db2.gz DTCGCSDZDDHPAB-HZPDHXFCSA-N 2 2 312.417 1.675 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430666 865834908 /nfs/dbraw/zinc/83/49/08/865834908.db2.gz DTCGCSDZDDHPAB-HZPDHXFCSA-N 2 2 312.417 1.675 20 30 DDEDLP C=C(Cl)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161558547 866768329 /nfs/dbraw/zinc/76/83/29/866768329.db2.gz GSYPETIVVPZXCB-UHFFFAOYSA-N 2 2 300.790 1.198 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001324102026 867071975 /nfs/dbraw/zinc/07/19/75/867071975.db2.gz KKFJUFJYFLQGCD-HZPDHXFCSA-N 2 2 302.422 1.656 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001324162606 867114112 /nfs/dbraw/zinc/11/41/12/867114112.db2.gz LSIQKYLKSJGPKF-HNNXBMFYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989931 867164735 /nfs/dbraw/zinc/16/47/35/867164735.db2.gz VZKVBQUBQOYPPO-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989931 867164737 /nfs/dbraw/zinc/16/47/37/867164737.db2.gz VZKVBQUBQOYPPO-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324659137 867432561 /nfs/dbraw/zinc/43/25/61/867432561.db2.gz ZMNLNCVANOICKZ-RDJZCZTQSA-N 2 2 318.421 1.065 20 30 DDEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324659137 867432569 /nfs/dbraw/zinc/43/25/69/867432569.db2.gz ZMNLNCVANOICKZ-RDJZCZTQSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)(COC)CC1 ZINC001162554113 867635518 /nfs/dbraw/zinc/63/55/18/867635518.db2.gz XAGYHJFWQKPDLM-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001325581773 868154810 /nfs/dbraw/zinc/15/48/10/868154810.db2.gz NXMMVXWQHRBXIC-KBPBESRZSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CC[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001335504202 868346822 /nfs/dbraw/zinc/34/68/22/868346822.db2.gz LDCJWKWZTGDTKA-QGZVFWFLSA-N 2 2 314.433 1.473 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166407661 869984155 /nfs/dbraw/zinc/98/41/55/869984155.db2.gz AMLDNLWMBAPPIG-ZDUSSCGKSA-N 2 2 306.410 1.128 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317058346 870181551 /nfs/dbraw/zinc/18/15/51/870181551.db2.gz ASLAKYZWJZCNKG-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001338994707 870287243 /nfs/dbraw/zinc/28/72/43/870287243.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001338994707 870287259 /nfs/dbraw/zinc/28/72/59/870287259.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001338994707 870287269 /nfs/dbraw/zinc/28/72/69/870287269.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338994707 870287282 /nfs/dbraw/zinc/28/72/82/870287282.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203813954 870773192 /nfs/dbraw/zinc/77/31/92/870773192.db2.gz GKVSVLJUFNMYOV-HUUCEWRRSA-N 2 2 318.421 1.103 20 30 DDEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317442713 870843526 /nfs/dbraw/zinc/84/35/26/870843526.db2.gz LBPLWHPLXVFDCH-QGZVFWFLSA-N 2 2 317.408 1.319 20 30 DDEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317442713 870843541 /nfs/dbraw/zinc/84/35/41/870843541.db2.gz LBPLWHPLXVFDCH-QGZVFWFLSA-N 2 2 317.408 1.319 20 30 DDEDLP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317442713 870843559 /nfs/dbraw/zinc/84/35/59/870843559.db2.gz LBPLWHPLXVFDCH-QGZVFWFLSA-N 2 2 317.408 1.319 20 30 DDEDLP C[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317442713 870843583 /nfs/dbraw/zinc/84/35/83/870843583.db2.gz LBPLWHPLXVFDCH-QGZVFWFLSA-N 2 2 317.408 1.319 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001318803352 872278407 /nfs/dbraw/zinc/27/84/07/872278407.db2.gz FYQLAGATINIKJZ-HNNXBMFYSA-N 2 2 315.417 1.484 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227164564 882888782 /nfs/dbraw/zinc/88/87/82/882888782.db2.gz DYRGOIUKFSPZJC-BZUAXINKSA-N 2 2 314.433 1.486 20 30 DDEDLP C#Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2OC)cc[nH+]1 ZINC001213536478 875969742 /nfs/dbraw/zinc/96/97/42/875969742.db2.gz LKBHUOMZZDGTGW-UHFFFAOYSA-N 2 2 322.412 1.989 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215006107 876538651 /nfs/dbraw/zinc/53/86/51/876538651.db2.gz RXNBFQCOHUYZFQ-IIAWOOMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215006108 876539184 /nfs/dbraw/zinc/53/91/84/876539184.db2.gz RXNBFQCOHUYZFQ-IJEWVQPXSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006379 876539270 /nfs/dbraw/zinc/53/92/70/876539270.db2.gz VKIFFFYPPNIEHF-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006379 876539277 /nfs/dbraw/zinc/53/92/77/876539277.db2.gz VKIFFFYPPNIEHF-HACGYAERSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993453 877105843 /nfs/dbraw/zinc/10/58/43/877105843.db2.gz GOYHCDIKSVJECU-HZPDHXFCSA-N 2 2 320.437 1.302 20 30 DDEDLP C[C@H]1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)N1CC#N ZINC001353605188 877444517 /nfs/dbraw/zinc/44/45/17/877444517.db2.gz JAPRJKLNWWGIAI-GJZGRUSLSA-N 2 2 310.405 1.685 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853040 878547338 /nfs/dbraw/zinc/54/73/38/878547338.db2.gz CBYBRHKPEABYLL-PMPSAXMXSA-N 2 2 320.437 1.208 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853040 878547355 /nfs/dbraw/zinc/54/73/55/878547355.db2.gz CBYBRHKPEABYLL-PMPSAXMXSA-N 2 2 320.437 1.208 20 30 DDEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001380022381 878589555 /nfs/dbraw/zinc/58/95/55/878589555.db2.gz XBHJJZMIECZWJB-IRXDYDNUSA-N 2 2 314.433 1.589 20 30 DDEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+](C)C ZINC001380022381 878589570 /nfs/dbraw/zinc/58/95/70/878589570.db2.gz XBHJJZMIECZWJB-IRXDYDNUSA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091984 880237675 /nfs/dbraw/zinc/23/76/75/880237675.db2.gz GBOBXMCWEAKTCJ-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3[nH]ccc3C#N)(C1)CCC2 ZINC001276840351 880709336 /nfs/dbraw/zinc/70/93/36/880709336.db2.gz NGZIKXJUWTXBGW-ZWKOTPCHSA-N 2 2 315.465 1.973 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223900729 881141172 /nfs/dbraw/zinc/14/11/72/881141172.db2.gz LLYPESJXGISPNR-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228836386 883693922 /nfs/dbraw/zinc/69/39/22/883693922.db2.gz RANZZDSFPLGWFS-ARFHVFGLSA-N 2 2 302.422 1.875 20 30 DDEDLP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(C#N)c1 ZINC001232968901 886702250 /nfs/dbraw/zinc/70/22/50/886702250.db2.gz QUUJWMRYWPOJCD-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(C#N)c1 ZINC001232968901 886702262 /nfs/dbraw/zinc/70/22/62/886702262.db2.gz QUUJWMRYWPOJCD-QGZVFWFLSA-N 2 2 314.433 1.509 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277883534 888191288 /nfs/dbraw/zinc/19/12/88/888191288.db2.gz JTTRYEKWFGOARX-ZBFHGGJFSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)COc1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054631 888373999 /nfs/dbraw/zinc/37/39/99/888373999.db2.gz QFOZQRCAHFIZQB-SFHVURJKSA-N 2 2 301.434 1.779 20 30 DDEDLP C=C(C)COc1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054631 888374015 /nfs/dbraw/zinc/37/40/15/888374015.db2.gz QFOZQRCAHFIZQB-SFHVURJKSA-N 2 2 301.434 1.779 20 30 DDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635947 888827075 /nfs/dbraw/zinc/82/70/75/888827075.db2.gz ZYOQQYASZXYZLV-ZOBUZTSGSA-N 2 2 310.438 1.537 20 30 DDEDLP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235635947 888827092 /nfs/dbraw/zinc/82/70/92/888827092.db2.gz ZYOQQYASZXYZLV-ZOBUZTSGSA-N 2 2 310.438 1.537 20 30 DDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137246 896752117 /nfs/dbraw/zinc/75/21/17/896752117.db2.gz QAXAGXOIGDNBBB-FCGDIQPGSA-N 2 2 310.445 1.979 20 30 DDEDLP N#C[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137246 896752131 /nfs/dbraw/zinc/75/21/31/896752131.db2.gz QAXAGXOIGDNBBB-FCGDIQPGSA-N 2 2 310.445 1.979 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001256578960 897484910 /nfs/dbraw/zinc/48/49/10/897484910.db2.gz FYNSSFWXRWGYOD-UHFFFAOYSA-N 2 2 320.462 1.140 20 30 DDEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001263907775 900812783 /nfs/dbraw/zinc/81/27/83/900812783.db2.gz KGEMNDWATZDYQO-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586817 902164835 /nfs/dbraw/zinc/16/48/35/902164835.db2.gz OWEFNJFRUHGZQE-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001265586817 902164841 /nfs/dbraw/zinc/16/48/41/902164841.db2.gz OWEFNJFRUHGZQE-OAHLLOKOSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CC[N@H+](CC)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266045618 902829694 /nfs/dbraw/zinc/82/96/94/902829694.db2.gz FGKXPJUGXZJJCJ-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CC[N@@H+](CC)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266045618 902829726 /nfs/dbraw/zinc/82/97/26/902829726.db2.gz FGKXPJUGXZJJCJ-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001370906616 903961571 /nfs/dbraw/zinc/96/15/71/903961571.db2.gz WHKXKSVKBIGCPW-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001370906616 903961587 /nfs/dbraw/zinc/96/15/87/903961587.db2.gz WHKXKSVKBIGCPW-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C#CCC[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001281833323 905253663 /nfs/dbraw/zinc/25/36/63/905253663.db2.gz IUHHZVNFWZMAFU-UHFFFAOYSA-N 2 2 316.449 1.926 20 30 DDEDLP C#CCC[N@H+](CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001281833323 905253681 /nfs/dbraw/zinc/25/36/81/905253681.db2.gz IUHHZVNFWZMAFU-UHFFFAOYSA-N 2 2 316.449 1.926 20 30 DDEDLP C#CCC[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001281833323 905253705 /nfs/dbraw/zinc/25/37/05/905253705.db2.gz IUHHZVNFWZMAFU-UHFFFAOYSA-N 2 2 316.449 1.926 20 30 DDEDLP C#CCC[N@H+](CC)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001281833323 905253721 /nfs/dbraw/zinc/25/37/21/905253721.db2.gz IUHHZVNFWZMAFU-UHFFFAOYSA-N 2 2 316.449 1.926 20 30 DDEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CC#Cc1ccccc1 ZINC001282433047 905782560 /nfs/dbraw/zinc/78/25/60/905782560.db2.gz LEVYMYUPZZDQSF-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CC#Cc1ccccc1 ZINC001282433047 905782575 /nfs/dbraw/zinc/78/25/75/905782575.db2.gz LEVYMYUPZZDQSF-QGZVFWFLSA-N 2 2 324.428 1.761 20 30 DDEDLP CC#CC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284956215 909813485 /nfs/dbraw/zinc/81/34/85/909813485.db2.gz CPMKVKVNFAHPSE-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284956215 909813499 /nfs/dbraw/zinc/81/34/99/909813499.db2.gz CPMKVKVNFAHPSE-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001376269629 918113455 /nfs/dbraw/zinc/11/34/55/918113455.db2.gz NCRFFJOOYLTHPG-QGZVFWFLSA-N 2 2 323.400 1.439 20 30 DDEDLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001377240292 920749857 /nfs/dbraw/zinc/74/98/57/920749857.db2.gz MDFBLVDXGPPLQK-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(C#N)ccc1F ZINC001377240292 920749871 /nfs/dbraw/zinc/74/98/71/920749871.db2.gz MDFBLVDXGPPLQK-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001377240292 920749881 /nfs/dbraw/zinc/74/98/81/920749881.db2.gz MDFBLVDXGPPLQK-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001377240292 920749892 /nfs/dbraw/zinc/74/98/92/920749892.db2.gz MDFBLVDXGPPLQK-UHFFFAOYSA-N 2 2 320.412 1.587 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001377422503 921846764 /nfs/dbraw/zinc/84/67/64/921846764.db2.gz BVBOTYGFLWAZGC-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001377422503 921846775 /nfs/dbraw/zinc/84/67/75/921846775.db2.gz BVBOTYGFLWAZGC-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(O)CCOC3)CC2)cc1 ZINC000182073843 199383377 /nfs/dbraw/zinc/38/33/77/199383377.db2.gz RFGJPXZQOVNSPX-GOSISDBHSA-N 2 2 315.417 1.264 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000080972678 353641476 /nfs/dbraw/zinc/64/14/76/353641476.db2.gz ZDPBCNNLDXZGIC-CQSZACIVSA-N 2 2 315.421 1.932 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000080972678 353641478 /nfs/dbraw/zinc/64/14/78/353641478.db2.gz ZDPBCNNLDXZGIC-CQSZACIVSA-N 2 2 315.421 1.932 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000591847443 355394334 /nfs/dbraw/zinc/39/43/34/355394334.db2.gz UUGYQUGVSFWVKQ-ZNMIVQPWSA-N 2 2 319.453 1.146 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000591847443 355394337 /nfs/dbraw/zinc/39/43/37/355394337.db2.gz UUGYQUGVSFWVKQ-ZNMIVQPWSA-N 2 2 319.453 1.146 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505685 356523074 /nfs/dbraw/zinc/52/30/74/356523074.db2.gz XDHGHJOTSILWAQ-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505685 356523077 /nfs/dbraw/zinc/52/30/77/356523077.db2.gz XDHGHJOTSILWAQ-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505685 356523079 /nfs/dbraw/zinc/52/30/79/356523079.db2.gz XDHGHJOTSILWAQ-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505685 356523080 /nfs/dbraw/zinc/52/30/80/356523080.db2.gz XDHGHJOTSILWAQ-DOTOQJQBSA-N 2 2 306.454 1.412 20 30 DDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000596925774 357016081 /nfs/dbraw/zinc/01/60/81/357016081.db2.gz HRZZUIYSQRZTMV-ZIAGYGMSSA-N 2 2 303.410 1.218 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271682791 209122175 /nfs/dbraw/zinc/12/21/75/209122175.db2.gz JPZSTHNVTAYCKN-CYBMUJFWSA-N 2 2 323.462 1.635 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129139021 407594436 /nfs/dbraw/zinc/59/44/36/407594436.db2.gz MBMXQEWZCLEGQP-DLBZAZTESA-N 2 2 321.465 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129139021 407594446 /nfs/dbraw/zinc/59/44/46/407594446.db2.gz MBMXQEWZCLEGQP-DLBZAZTESA-N 2 2 321.465 1.230 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)CC1 ZINC000265609038 408710763 /nfs/dbraw/zinc/71/07/63/408710763.db2.gz MUPVWJKNFAWBOL-UHFFFAOYSA-N 3 2 309.373 1.551 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285784491 408863760 /nfs/dbraw/zinc/86/37/60/408863760.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 2 2 320.437 1.794 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285784491 408863762 /nfs/dbraw/zinc/86/37/62/408863762.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 2 2 320.437 1.794 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285784491 408863767 /nfs/dbraw/zinc/86/37/67/408863767.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 2 2 320.437 1.794 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000320457431 409903718 /nfs/dbraw/zinc/90/37/18/409903718.db2.gz YUXJZFFQDWDTEM-ZACQAIPSSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000320457431 409903725 /nfs/dbraw/zinc/90/37/25/409903725.db2.gz YUXJZFFQDWDTEM-ZACQAIPSSA-N 2 2 315.417 1.514 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328774811 409976648 /nfs/dbraw/zinc/97/66/48/409976648.db2.gz BYAOETRCOLHOQT-KFWWJZLASA-N 2 2 319.453 1.852 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328774811 409976652 /nfs/dbraw/zinc/97/66/52/409976652.db2.gz BYAOETRCOLHOQT-KFWWJZLASA-N 2 2 319.453 1.852 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1C ZINC000328616522 409936254 /nfs/dbraw/zinc/93/62/54/409936254.db2.gz SPCLIJSBQUTFNI-HZSPNIEDSA-N 2 2 305.426 1.747 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1C ZINC000328616522 409936258 /nfs/dbraw/zinc/93/62/58/409936258.db2.gz SPCLIJSBQUTFNI-HZSPNIEDSA-N 2 2 305.426 1.747 20 30 DDEDLP C=C[C@@](C)(O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000354679661 410012339 /nfs/dbraw/zinc/01/23/39/410012339.db2.gz RHKKHFXMDHVIDL-QGZVFWFLSA-N 2 2 323.481 1.380 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCCC2)CC1 ZINC000330283713 410611271 /nfs/dbraw/zinc/61/12/71/410611271.db2.gz WLMLTLAVJJXFEY-CQSZACIVSA-N 2 2 317.437 1.672 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367142309 418564270 /nfs/dbraw/zinc/56/42/70/418564270.db2.gz USMYBIJGGUCNGP-IRXDYDNUSA-N 2 2 320.481 1.945 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367142309 418564272 /nfs/dbraw/zinc/56/42/72/418564272.db2.gz USMYBIJGGUCNGP-IRXDYDNUSA-N 2 2 320.481 1.945 20 30 DDEDLP N#Cc1ccccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998168 418585340 /nfs/dbraw/zinc/58/53/40/418585340.db2.gz LURWBJXMNXASHC-UHFFFAOYSA-N 2 2 315.417 1.217 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CCCS1 ZINC000262005995 222269787 /nfs/dbraw/zinc/26/97/87/222269787.db2.gz VPWIPJOSSOPMFV-CQSZACIVSA-N 2 2 317.462 1.937 20 30 DDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267374121 222382783 /nfs/dbraw/zinc/38/27/83/222382783.db2.gz YLKZIMNLYBEZHJ-UHFFFAOYSA-N 2 2 304.438 1.870 20 30 DDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267374121 222382785 /nfs/dbraw/zinc/38/27/85/222382785.db2.gz YLKZIMNLYBEZHJ-UHFFFAOYSA-N 2 2 304.438 1.870 20 30 DDEDLP COc1ccc(CCNC(=[NH2+])NCC[NH+]2CCSCC2)cc1 ZINC000267398163 222383927 /nfs/dbraw/zinc/38/39/27/222383927.db2.gz FKLAJIVLPPKZIT-UHFFFAOYSA-N 2 2 322.478 1.191 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc(C#N)s3)CC2)C(=O)C1 ZINC000367881253 418651830 /nfs/dbraw/zinc/65/18/30/418651830.db2.gz ZCJIASJOFGNFBG-UHFFFAOYSA-N 2 2 318.446 1.358 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc(C#N)s3)CC2)C(=O)C1 ZINC000367881253 418651833 /nfs/dbraw/zinc/65/18/33/418651833.db2.gz ZCJIASJOFGNFBG-UHFFFAOYSA-N 2 2 318.446 1.358 20 30 DDEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000361458622 418656773 /nfs/dbraw/zinc/65/67/73/418656773.db2.gz HTZAVKSIJDEWRN-IRXDYDNUSA-N 2 2 308.470 1.048 20 30 DDEDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204810 418767855 /nfs/dbraw/zinc/76/78/55/418767855.db2.gz KHDAPIYWCCPJBG-CVEARBPZSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(C)(C)C#N ZINC000371204810 418767857 /nfs/dbraw/zinc/76/78/57/418767857.db2.gz KHDAPIYWCCPJBG-CVEARBPZSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(C)(C)C#N ZINC000371204810 418767858 /nfs/dbraw/zinc/76/78/58/418767858.db2.gz KHDAPIYWCCPJBG-CVEARBPZSA-N 2 2 308.470 1.263 20 30 DDEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(C)(C)C#N ZINC000371204810 418767859 /nfs/dbraw/zinc/76/78/59/418767859.db2.gz KHDAPIYWCCPJBG-CVEARBPZSA-N 2 2 308.470 1.263 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372752680 418898163 /nfs/dbraw/zinc/89/81/63/418898163.db2.gz SQLMAWAHOAMQHN-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365279467 418848854 /nfs/dbraw/zinc/84/88/54/418848854.db2.gz YQWPCJXTINOEFZ-ICSRJNTNSA-N 2 2 311.473 1.996 20 30 DDEDLP C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365279467 418848856 /nfs/dbraw/zinc/84/88/56/418848856.db2.gz YQWPCJXTINOEFZ-ICSRJNTNSA-N 2 2 311.473 1.996 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000439161139 420482682 /nfs/dbraw/zinc/48/26/82/420482682.db2.gz WWIFVFCBZJLSEA-UHFFFAOYSA-N 2 2 304.442 1.755 20 30 DDEDLP C=CC[NH+]1CCC(Nc2cc(NCCCC)nc(N)[nH+]2)CC1 ZINC000439161139 420482686 /nfs/dbraw/zinc/48/26/86/420482686.db2.gz WWIFVFCBZJLSEA-UHFFFAOYSA-N 2 2 304.442 1.755 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000449397089 421008061 /nfs/dbraw/zinc/00/80/61/421008061.db2.gz NZUDFTXUULEIQW-MRXNPFEDSA-N 2 2 303.406 1.503 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000449397089 421008064 /nfs/dbraw/zinc/00/80/64/421008064.db2.gz NZUDFTXUULEIQW-MRXNPFEDSA-N 2 2 303.406 1.503 20 30 DDEDLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3(C#N)CCC3)CC2)C1 ZINC000450363829 421188879 /nfs/dbraw/zinc/18/88/79/421188879.db2.gz KAXIPGDGFUPDHJ-KRWDZBQOSA-N 2 2 320.481 1.407 20 30 DDEDLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3(C#N)CCC3)CC2)C1 ZINC000450363829 421188882 /nfs/dbraw/zinc/18/88/82/421188882.db2.gz KAXIPGDGFUPDHJ-KRWDZBQOSA-N 2 2 320.481 1.407 20 30 DDEDLP C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000516922200 421578313 /nfs/dbraw/zinc/57/83/13/421578313.db2.gz OEPCQSJQRSSZCS-WMZOPIPTSA-N 2 2 316.449 1.854 20 30 DDEDLP C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000516922200 421578316 /nfs/dbraw/zinc/57/83/16/421578316.db2.gz OEPCQSJQRSSZCS-WMZOPIPTSA-N 2 2 316.449 1.854 20 30 DDEDLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000566116234 421603026 /nfs/dbraw/zinc/60/30/26/421603026.db2.gz JOBYTBCPEOKOOV-IAGOWNOFSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000566116234 421603028 /nfs/dbraw/zinc/60/30/28/421603028.db2.gz JOBYTBCPEOKOOV-IAGOWNOFSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000566116234 421603029 /nfs/dbraw/zinc/60/30/29/421603029.db2.gz JOBYTBCPEOKOOV-IAGOWNOFSA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000566116234 421603032 /nfs/dbraw/zinc/60/30/32/421603032.db2.gz JOBYTBCPEOKOOV-IAGOWNOFSA-N 2 2 324.513 1.683 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000559183411 421830973 /nfs/dbraw/zinc/83/09/73/421830973.db2.gz NYKDYWQZDHVASJ-UHFFFAOYSA-N 2 2 323.400 1.649 20 30 DDEDLP C[NH+]1CCC(CNc2ccc(C#N)nn2)([NH+]2CCCCC2)CC1 ZINC000302003770 277026767 /nfs/dbraw/zinc/02/67/67/277026767.db2.gz RMGXXVZCUJFBGW-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595370 288071425 /nfs/dbraw/zinc/07/14/25/288071425.db2.gz BUBJMAWXKCJCLP-JMSVASOKSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595370 288071428 /nfs/dbraw/zinc/07/14/28/288071428.db2.gz BUBJMAWXKCJCLP-JMSVASOKSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595370 288071430 /nfs/dbraw/zinc/07/14/30/288071430.db2.gz BUBJMAWXKCJCLP-JMSVASOKSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595370 288071432 /nfs/dbraw/zinc/07/14/32/288071432.db2.gz BUBJMAWXKCJCLP-JMSVASOKSA-N 2 2 305.426 1.453 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330825788 279187102 /nfs/dbraw/zinc/18/71/02/279187102.db2.gz OTLRMYQAPJTNDA-LLVKDONJSA-N 2 2 321.425 1.806 20 30 DDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414900 300234539 /nfs/dbraw/zinc/23/45/39/300234539.db2.gz AAXWAFYQQMDAOI-DZGCQCFKSA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414900 300234541 /nfs/dbraw/zinc/23/45/41/300234541.db2.gz AAXWAFYQQMDAOI-DZGCQCFKSA-N 2 2 319.453 1.098 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000162428530 337621296 /nfs/dbraw/zinc/62/12/96/337621296.db2.gz TVIAORIWTNBKGB-UHFFFAOYSA-N 2 2 321.465 1.043 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547630995 341224211 /nfs/dbraw/zinc/22/42/11/341224211.db2.gz CFJPTMDOHKXZLY-CQSZACIVSA-N 2 2 303.410 1.148 20 30 DDEDLP C=C(C)[C@@H](CO)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711482 486498595 /nfs/dbraw/zinc/49/85/95/486498595.db2.gz ITPNBZZRZCDUHN-QZTJIDSGSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711482 486498599 /nfs/dbraw/zinc/49/85/99/486498599.db2.gz ITPNBZZRZCDUHN-QZTJIDSGSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711482 486498605 /nfs/dbraw/zinc/49/86/05/486498605.db2.gz ITPNBZZRZCDUHN-QZTJIDSGSA-N 2 2 304.434 1.492 20 30 DDEDLP C=C(C)[C@@H](CO)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711482 486498608 /nfs/dbraw/zinc/49/86/08/486498608.db2.gz ITPNBZZRZCDUHN-QZTJIDSGSA-N 2 2 304.434 1.492 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329733020 534763476 /nfs/dbraw/zinc/76/34/76/534763476.db2.gz QOHPQAUWPXEIOI-GFCCVEGCSA-N 2 2 314.393 1.784 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329733020 534763496 /nfs/dbraw/zinc/76/34/96/534763496.db2.gz QOHPQAUWPXEIOI-GFCCVEGCSA-N 2 2 314.393 1.784 20 30 DDEDLP C=C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000341992723 526907782 /nfs/dbraw/zinc/90/77/82/526907782.db2.gz CMPXVFGGDRRTBT-MRXNPFEDSA-N 2 2 314.433 1.771 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491039087 526950207 /nfs/dbraw/zinc/95/02/07/526950207.db2.gz MUOMJDQUWKYJKX-CHWSQXEVSA-N 2 2 317.355 1.037 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491039087 526950211 /nfs/dbraw/zinc/95/02/11/526950211.db2.gz MUOMJDQUWKYJKX-CHWSQXEVSA-N 2 2 317.355 1.037 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282932 527803430 /nfs/dbraw/zinc/80/34/30/527803430.db2.gz VTQQYGIZUWTSTN-UONOGXRCSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282932 527803438 /nfs/dbraw/zinc/80/34/38/527803438.db2.gz VTQQYGIZUWTSTN-UONOGXRCSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282932 527803442 /nfs/dbraw/zinc/80/34/42/527803442.db2.gz VTQQYGIZUWTSTN-UONOGXRCSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282932 527803447 /nfs/dbraw/zinc/80/34/47/527803447.db2.gz VTQQYGIZUWTSTN-UONOGXRCSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330200383 528247856 /nfs/dbraw/zinc/24/78/56/528247856.db2.gz WPCFLRICNGFHHW-ZIAGYGMSSA-N 2 2 305.426 1.528 20 30 DDEDLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424166698 528860361 /nfs/dbraw/zinc/86/03/61/528860361.db2.gz GJXKMYKNNYDUNM-AWEZNQCLSA-N 2 2 305.426 1.705 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978154205 696333265 /nfs/dbraw/zinc/33/32/65/696333265.db2.gz ADKLYKIWZMQXSK-PHZGNYQRSA-N 2 2 308.385 1.184 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978154205 696333268 /nfs/dbraw/zinc/33/32/68/696333268.db2.gz ADKLYKIWZMQXSK-PHZGNYQRSA-N 2 2 308.385 1.184 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978297908 696360216 /nfs/dbraw/zinc/36/02/16/696360216.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978297908 696360218 /nfs/dbraw/zinc/36/02/18/696360218.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978297908 696360220 /nfs/dbraw/zinc/36/02/20/696360220.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978297908 696360222 /nfs/dbraw/zinc/36/02/22/696360222.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 2 300.406 1.383 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454223 696777482 /nfs/dbraw/zinc/77/74/82/696777482.db2.gz PKRCMPAPVJXYLM-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454223 696777483 /nfs/dbraw/zinc/77/74/83/696777483.db2.gz PKRCMPAPVJXYLM-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987261622 698063178 /nfs/dbraw/zinc/06/31/78/698063178.db2.gz SAFQZBWWHKSNGT-CJNGLKHVSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000987340138 698089828 /nfs/dbraw/zinc/08/98/28/698089828.db2.gz DFQXMVOBQFMGGN-HIFRSBDPSA-N 2 2 311.389 1.646 20 30 DDEDLP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261990047 698449423 /nfs/dbraw/zinc/44/94/23/698449423.db2.gz RBSFSLYPYFYWRS-HRCADAONSA-N 2 2 319.453 1.911 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000730098581 699501099 /nfs/dbraw/zinc/50/10/99/699501099.db2.gz JWJZIVDTONKZPT-HOTGVXAUSA-N 2 2 317.433 1.876 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000730098581 699501101 /nfs/dbraw/zinc/50/11/01/699501101.db2.gz JWJZIVDTONKZPT-HOTGVXAUSA-N 2 2 317.433 1.876 20 30 DDEDLP C=CCC(F)(F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000815153659 701816507 /nfs/dbraw/zinc/81/65/07/701816507.db2.gz GLWPTVVORTYNID-UHFFFAOYSA-N 2 2 315.408 1.873 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000879593142 706730986 /nfs/dbraw/zinc/73/09/86/706730986.db2.gz UGJZYWCFXVTYRV-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480659 707064460 /nfs/dbraw/zinc/06/44/60/707064460.db2.gz ULUTUORNLLYCPN-KBMXLJTQSA-N 2 2 316.380 1.018 20 30 DDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480659 707064464 /nfs/dbraw/zinc/06/44/64/707064464.db2.gz ULUTUORNLLYCPN-KBMXLJTQSA-N 2 2 316.380 1.018 20 30 DDEDLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)Cn1cc[nH+]c1 ZINC000876731081 705845016 /nfs/dbraw/zinc/84/50/16/705845016.db2.gz NLMYKWNRFCXZDE-CXAGYDPISA-N 2 2 323.400 1.394 20 30 DDEDLP C#C[C@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877513437 706129533 /nfs/dbraw/zinc/12/95/33/706129533.db2.gz WCOXTMYHYKOXOJ-QGZVFWFLSA-N 2 2 302.418 1.899 20 30 DDEDLP CCOC(=O)[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000902716521 710875977 /nfs/dbraw/zinc/87/59/77/710875977.db2.gz GUNQCRGOGYXEDP-LSDHHAIUSA-N 2 2 319.405 1.584 20 30 DDEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880469 710942778 /nfs/dbraw/zinc/94/27/78/710942778.db2.gz IVBHAPICIGUEGB-DOPJRALCSA-N 2 2 314.433 1.982 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COCO3)CC2)cc1 ZINC000894875522 711305073 /nfs/dbraw/zinc/30/50/73/711305073.db2.gz FIGFKXCKOFCTMC-KRWDZBQOSA-N 2 2 301.390 1.485 20 30 DDEDLP C[N@H+](CCCCC1(C#N)CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000931488082 714109510 /nfs/dbraw/zinc/10/95/10/714109510.db2.gz NQFTVIJFRCJWFV-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000925081002 714743741 /nfs/dbraw/zinc/74/37/41/714743741.db2.gz OKKCEBRJDULDRY-JKSUJKDBSA-N 2 2 308.470 1.311 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844260 716987023 /nfs/dbraw/zinc/98/70/23/716987023.db2.gz FXAMPMKDRCHPFR-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844260 716987025 /nfs/dbraw/zinc/98/70/25/716987025.db2.gz FXAMPMKDRCHPFR-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853505 716994164 /nfs/dbraw/zinc/99/41/64/716994164.db2.gz SDGOEFGAWRRYLL-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853505 716994166 /nfs/dbraw/zinc/99/41/66/716994166.db2.gz SDGOEFGAWRRYLL-OAHLLOKOSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368338 717761732 /nfs/dbraw/zinc/76/17/32/717761732.db2.gz VPNGDIXSDNTUOT-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368338 717761736 /nfs/dbraw/zinc/76/17/36/717761736.db2.gz VPNGDIXSDNTUOT-HOCLYGCPSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368336 717762309 /nfs/dbraw/zinc/76/23/09/717762309.db2.gz VPNGDIXSDNTUOT-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368336 717762313 /nfs/dbraw/zinc/76/23/13/717762313.db2.gz VPNGDIXSDNTUOT-GDBMZVCRSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000963581246 717836724 /nfs/dbraw/zinc/83/67/24/717836724.db2.gz JRGJVDSQJQWNSH-FHERZECASA-N 2 2 314.433 1.438 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087665 718761878 /nfs/dbraw/zinc/76/18/78/718761878.db2.gz ORYUNTKRTUZPRB-CJNGLKHVSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967087665 718761880 /nfs/dbraw/zinc/76/18/80/718761880.db2.gz ORYUNTKRTUZPRB-CJNGLKHVSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549711 719659946 /nfs/dbraw/zinc/65/99/46/719659946.db2.gz WPCNSIDIBGLQOI-JSGCOSHPSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549711 719659947 /nfs/dbraw/zinc/65/99/47/719659947.db2.gz WPCNSIDIBGLQOI-JSGCOSHPSA-N 2 2 311.857 1.661 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586014 735328331 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DDEDLP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001021704703 733469185 /nfs/dbraw/zinc/46/91/85/733469185.db2.gz UPOOOLRCOVBBAD-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883469 738771688 /nfs/dbraw/zinc/77/16/88/738771688.db2.gz MLSYDXWYORUICE-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883469 738771691 /nfs/dbraw/zinc/77/16/91/738771691.db2.gz MLSYDXWYORUICE-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001022322417 734488335 /nfs/dbraw/zinc/48/83/35/734488335.db2.gz QKRITTZJUYSPCP-MCIONIFRSA-N 2 2 302.422 1.636 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001022322417 734488337 /nfs/dbraw/zinc/48/83/37/734488337.db2.gz QKRITTZJUYSPCP-MCIONIFRSA-N 2 2 302.422 1.636 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 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C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684686 763917481 /nfs/dbraw/zinc/91/74/81/763917481.db2.gz PQDUBEWUKKGZFK-OAHLLOKOSA-N 2 2 300.406 1.392 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042331869 763927334 /nfs/dbraw/zinc/92/73/34/763927334.db2.gz FUBCMEIOEJRVFB-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042331869 763927338 /nfs/dbraw/zinc/92/73/38/763927338.db2.gz FUBCMEIOEJRVFB-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001050912573 764269212 /nfs/dbraw/zinc/26/92/12/764269212.db2.gz FNLFYHGYPDLVFP-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001050912573 764269217 /nfs/dbraw/zinc/26/92/17/764269217.db2.gz FNLFYHGYPDLVFP-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001050912573 764269221 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DDEDLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001131639936 768234233 /nfs/dbraw/zinc/23/42/33/768234233.db2.gz ULZUKCHAJSZEIG-UHFFFAOYSA-N 2 2 310.401 1.110 20 30 DDEDLP C=CCC[NH+]1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001043368363 764862908 /nfs/dbraw/zinc/86/29/08/764862908.db2.gz BIJGEZOIUZVBDK-UHFFFAOYSA-N 2 2 302.422 1.481 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962831 765183766 /nfs/dbraw/zinc/18/37/66/765183766.db2.gz IWFTXTRQBBLIMJ-ILXRZTDVSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962831 765183769 /nfs/dbraw/zinc/18/37/69/765183769.db2.gz IWFTXTRQBBLIMJ-ILXRZTDVSA-N 2 2 311.857 1.802 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001044167926 765360345 /nfs/dbraw/zinc/36/03/45/765360345.db2.gz CESMPZZUKZDGGN-KRWDZBQOSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001044167926 765360354 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20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553084 766397218 /nfs/dbraw/zinc/39/72/18/766397218.db2.gz FSDDFYULSRMWTF-CYBMUJFWSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935798 766721118 /nfs/dbraw/zinc/72/11/18/766721118.db2.gz SWSSFBGWNKRXOY-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935798 766721128 /nfs/dbraw/zinc/72/11/28/766721128.db2.gz SWSSFBGWNKRXOY-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822090 768389230 /nfs/dbraw/zinc/38/92/30/768389230.db2.gz IWVQKFIIWFPXTI-HZPDHXFCSA-N 2 2 311.470 1.548 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822090 768389236 /nfs/dbraw/zinc/38/92/36/768389236.db2.gz IWVQKFIIWFPXTI-HZPDHXFCSA-N 2 2 311.470 1.548 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784221 769192252 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302.422 1.654 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174463 770501798 /nfs/dbraw/zinc/50/17/98/770501798.db2.gz RFINNOWWDQAIFG-OKILXGFUSA-N 2 2 300.406 1.101 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174463 770501804 /nfs/dbraw/zinc/50/18/04/770501804.db2.gz RFINNOWWDQAIFG-OKILXGFUSA-N 2 2 300.406 1.101 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084617 770525081 /nfs/dbraw/zinc/52/50/81/770525081.db2.gz FRHUUTMQQMNLMA-OCCSQVGLSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084617 770525093 /nfs/dbraw/zinc/52/50/93/770525093.db2.gz FRHUUTMQQMNLMA-OCCSQVGLSA-N 2 2 310.829 1.913 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227506 770793891 /nfs/dbraw/zinc/79/38/91/770793891.db2.gz IABPZTUPGWZMCX-KGLIPLIRSA-N 2 2 308.426 1.418 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627243 771031833 /nfs/dbraw/zinc/03/18/33/771031833.db2.gz VRKZAXOFEIBTTM-CVEARBPZSA-N 2 2 300.406 1.362 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627243 771031838 /nfs/dbraw/zinc/03/18/38/771031838.db2.gz VRKZAXOFEIBTTM-CVEARBPZSA-N 2 2 300.406 1.362 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049870048 771220980 /nfs/dbraw/zinc/22/09/80/771220980.db2.gz LTKMXCDTBUDROF-IAGOWNOFSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049870048 771220983 /nfs/dbraw/zinc/22/09/83/771220983.db2.gz LTKMXCDTBUDROF-IAGOWNOFSA-N 2 2 314.433 1.441 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091633097 773144727 /nfs/dbraw/zinc/14/47/27/773144727.db2.gz UCGMVURIUNBJOP-CJNGLKHVSA-N 2 2 322.840 1.875 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091633097 773144730 /nfs/dbraw/zinc/14/47/30/773144730.db2.gz UCGMVURIUNBJOP-CJNGLKHVSA-N 2 2 322.840 1.875 20 30 DDEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660860 773274291 /nfs/dbraw/zinc/27/42/91/773274291.db2.gz QKOYTPBVRWXWEV-AWEZNQCLSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001073660860 773274292 /nfs/dbraw/zinc/27/42/92/773274292.db2.gz QKOYTPBVRWXWEV-AWEZNQCLSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795218 773809473 /nfs/dbraw/zinc/80/94/73/773809473.db2.gz NZSXQIXECJKPID-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795218 773809476 /nfs/dbraw/zinc/80/94/76/773809476.db2.gz NZSXQIXECJKPID-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092606921 774186589 /nfs/dbraw/zinc/18/65/89/774186589.db2.gz DCJXOGJSORVKHC-CZUORRHYSA-N 2 2 310.401 1.574 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001092606921 774186593 /nfs/dbraw/zinc/18/65/93/774186593.db2.gz DCJXOGJSORVKHC-CZUORRHYSA-N 2 2 310.401 1.574 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747855 774247773 /nfs/dbraw/zinc/24/77/73/774247773.db2.gz IJZLMJVTTRKAMN-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747855 774247778 /nfs/dbraw/zinc/24/77/78/774247778.db2.gz IJZLMJVTTRKAMN-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036733643 774425547 /nfs/dbraw/zinc/42/55/47/774425547.db2.gz FJIUZICACUKHDL-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036733643 774425549 /nfs/dbraw/zinc/42/55/49/774425549.db2.gz FJIUZICACUKHDL-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036733643 774425551 /nfs/dbraw/zinc/42/55/51/774425551.db2.gz FJIUZICACUKHDL-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036733643 774425554 /nfs/dbraw/zinc/42/55/54/774425554.db2.gz FJIUZICACUKHDL-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734166 774426726 /nfs/dbraw/zinc/42/67/26/774426726.db2.gz NMESCKXGIBCBMO-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734166 774426730 /nfs/dbraw/zinc/42/67/30/774426730.db2.gz NMESCKXGIBCBMO-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734166 774426731 /nfs/dbraw/zinc/42/67/31/774426731.db2.gz NMESCKXGIBCBMO-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734166 774426734 /nfs/dbraw/zinc/42/67/34/774426734.db2.gz NMESCKXGIBCBMO-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896736 776508413 /nfs/dbraw/zinc/50/84/13/776508413.db2.gz UEMOLSRWGXVECG-HNNXBMFYSA-N 2 2 304.438 1.641 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001094962494 776909166 /nfs/dbraw/zinc/90/91/66/776909166.db2.gz HPJZQQBGSOSIAV-ZNMIVQPWSA-N 2 2 308.385 1.550 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095022313 776998790 /nfs/dbraw/zinc/99/87/90/776998790.db2.gz SZIFIPNCWFQSBS-XQQFMLRXSA-N 2 2 308.813 1.674 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357288 777760556 /nfs/dbraw/zinc/76/05/56/777760556.db2.gz GGEJQVVTLAEDSH-RBSFLKMASA-N 2 2 302.422 1.421 20 30 DDEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001177139052 778459000 /nfs/dbraw/zinc/45/90/00/778459000.db2.gz PDCFKLNWIKICKK-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001177139052 778459005 /nfs/dbraw/zinc/45/90/05/778459005.db2.gz PDCFKLNWIKICKK-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139052 778459010 /nfs/dbraw/zinc/45/90/10/778459010.db2.gz PDCFKLNWIKICKK-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139052 778459015 /nfs/dbraw/zinc/45/90/15/778459015.db2.gz PDCFKLNWIKICKK-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179691774 779449963 /nfs/dbraw/zinc/44/99/63/779449963.db2.gz AJWGXQUNBIXLCS-DZKIICNBSA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179691774 779449966 /nfs/dbraw/zinc/44/99/66/779449966.db2.gz AJWGXQUNBIXLCS-DZKIICNBSA-N 2 2 320.437 1.370 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267168637 837455114 /nfs/dbraw/zinc/45/51/14/837455114.db2.gz CZGKEWSXCKYAJT-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267168637 837455119 /nfs/dbraw/zinc/45/51/19/837455119.db2.gz CZGKEWSXCKYAJT-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267315121 837808549 /nfs/dbraw/zinc/80/85/49/837808549.db2.gz YOVFZBOARLUARP-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CC[N@@H+](CCC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267315121 837808560 /nfs/dbraw/zinc/80/85/60/837808560.db2.gz YOVFZBOARLUARP-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CC[NH+]1CCC(N(CCC)C(=O)CCn2cc[nH+]c2)CC1 ZINC001266388857 836196358 /nfs/dbraw/zinc/19/63/58/836196358.db2.gz UGLSGJINJNJENT-UHFFFAOYSA-N 2 2 302.422 1.609 20 30 DDEDLP C#CCC[N@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266392066 836199446 /nfs/dbraw/zinc/19/94/46/836199446.db2.gz BAEPKPVNQYTPRS-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[N@@H+](CC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266392066 836199448 /nfs/dbraw/zinc/19/94/48/836199448.db2.gz BAEPKPVNQYTPRS-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266392066 836199450 /nfs/dbraw/zinc/19/94/50/836199450.db2.gz BAEPKPVNQYTPRS-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CCC[NH+](CC)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266392066 836199452 /nfs/dbraw/zinc/19/94/52/836199452.db2.gz BAEPKPVNQYTPRS-INIZCTEOSA-N 2 2 317.437 1.251 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266459639 836290721 /nfs/dbraw/zinc/29/07/21/836290721.db2.gz RSSKACILWCHNDX-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266459639 836290734 /nfs/dbraw/zinc/29/07/34/836290734.db2.gz RSSKACILWCHNDX-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001268547612 840427640 /nfs/dbraw/zinc/42/76/40/840427640.db2.gz IAZCJBNXPOYUJN-UPHRSURJSA-N 2 2 323.400 1.676 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001269181035 841306034 /nfs/dbraw/zinc/30/60/34/841306034.db2.gz HJTVPZYMBPPMIC-GOEBONIOSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251525 841423577 /nfs/dbraw/zinc/42/35/77/841423577.db2.gz PWHMUMXBMSYBGS-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251525 841423583 /nfs/dbraw/zinc/42/35/83/841423583.db2.gz PWHMUMXBMSYBGS-CQSZACIVSA-N 2 2 320.437 1.849 20 30 DDEDLP C#CCC[NH2+]CCOCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001284875440 842407551 /nfs/dbraw/zinc/40/75/51/842407551.db2.gz NFKROIHMVNRUEK-UHFFFAOYSA-N 2 2 317.433 1.708 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279496 848239939 /nfs/dbraw/zinc/23/99/39/848239939.db2.gz UGDULKGIPLGMDZ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279496 848239943 /nfs/dbraw/zinc/23/99/43/848239943.db2.gz UGDULKGIPLGMDZ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312611 848311345 /nfs/dbraw/zinc/31/13/45/848311345.db2.gz QRWISQYEBBXKHA-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312611 848311354 /nfs/dbraw/zinc/31/13/54/848311354.db2.gz QRWISQYEBBXKHA-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP N#Cc1c(Cl)ccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155374544 862007497 /nfs/dbraw/zinc/00/74/97/862007497.db2.gz ZNBHMOYXTVMZPS-LBPRGKRZSA-N 2 2 305.813 1.466 20 30 DDEDLP C#CCCC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273542887 851081104 /nfs/dbraw/zinc/08/11/04/851081104.db2.gz QGBGARVSELCXLD-KRWDZBQOSA-N 2 2 300.406 1.258 20 30 DDEDLP C#CCCC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273542887 851081110 /nfs/dbraw/zinc/08/11/10/851081110.db2.gz QGBGARVSELCXLD-KRWDZBQOSA-N 2 2 300.406 1.258 20 30 DDEDLP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276254412 855059422 /nfs/dbraw/zinc/05/94/22/855059422.db2.gz BJFCFRRAYTWHFK-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C[NH+](C)C1(CNc2nnc(Cl)cc2C#N)CC[NH+](C)CC1 ZINC001156176157 862776468 /nfs/dbraw/zinc/77/64/68/862776468.db2.gz KFPNGCVHXPVZNE-UHFFFAOYSA-N 2 2 308.817 1.440 20 30 DDEDLP C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C#N)CC[NH+](C)CC1 ZINC001156182573 862786686 /nfs/dbraw/zinc/78/66/86/862786686.db2.gz YHGGZMWREXVJPF-UHFFFAOYSA-N 2 2 318.381 1.299 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864715 857817482 /nfs/dbraw/zinc/81/74/82/857817482.db2.gz OQXVYMQACXPLIM-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864715 857817485 /nfs/dbraw/zinc/81/74/85/857817485.db2.gz OQXVYMQACXPLIM-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021314 858007720 /nfs/dbraw/zinc/00/77/20/858007720.db2.gz GFMNNVMEOKWJLE-OAHLLOKOSA-N 2 2 302.422 1.945 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001073021314 858007726 /nfs/dbraw/zinc/00/77/26/858007726.db2.gz GFMNNVMEOKWJLE-OAHLLOKOSA-N 2 2 302.422 1.945 20 30 DDEDLP C=CCn1cc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)cn1 ZINC001139765391 860475045 /nfs/dbraw/zinc/47/50/45/860475045.db2.gz CEBOWRQEJQROPO-UHFFFAOYSA-N 2 2 305.470 1.529 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C\Cl ZINC001153868757 864179691 /nfs/dbraw/zinc/17/96/91/864179691.db2.gz ZRYTZGVQTBNYRH-MJYKILKPSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001153868757 864179698 /nfs/dbraw/zinc/17/96/98/864179698.db2.gz ZRYTZGVQTBNYRH-MJYKILKPSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001153868757 864179709 /nfs/dbraw/zinc/17/97/09/864179709.db2.gz ZRYTZGVQTBNYRH-MJYKILKPSA-N 2 2 311.857 1.663 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001153868757 864179719 /nfs/dbraw/zinc/17/97/19/864179719.db2.gz ZRYTZGVQTBNYRH-MJYKILKPSA-N 2 2 311.857 1.663 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083262 864396363 /nfs/dbraw/zinc/39/63/63/864396363.db2.gz OBTCJLQDHQIBET-TZMCWYRMSA-N 2 2 304.438 1.836 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083262 864396377 /nfs/dbraw/zinc/39/63/77/864396377.db2.gz OBTCJLQDHQIBET-TZMCWYRMSA-N 2 2 304.438 1.836 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083262 864396391 /nfs/dbraw/zinc/39/63/91/864396391.db2.gz OBTCJLQDHQIBET-TZMCWYRMSA-N 2 2 304.438 1.836 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083262 864396398 /nfs/dbraw/zinc/39/63/98/864396398.db2.gz OBTCJLQDHQIBET-TZMCWYRMSA-N 2 2 304.438 1.836 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001323147883 866382604 /nfs/dbraw/zinc/38/26/04/866382604.db2.gz HUHNHGZNIMDSHH-JKSUJKDBSA-N 2 2 302.422 1.513 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309470 866518481 /nfs/dbraw/zinc/51/84/81/866518481.db2.gz OKGOVJPBSGOPDW-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001323309470 866518498 /nfs/dbraw/zinc/51/84/98/866518498.db2.gz OKGOVJPBSGOPDW-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001323309470 866518517 /nfs/dbraw/zinc/51/85/17/866518517.db2.gz OKGOVJPBSGOPDW-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001323309470 866518526 /nfs/dbraw/zinc/51/85/26/866518526.db2.gz OKGOVJPBSGOPDW-PBHICJAKSA-N 2 2 309.429 1.413 20 30 DDEDLP C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162094099 867246377 /nfs/dbraw/zinc/24/63/77/867246377.db2.gz YRGMUXIFLZETFC-ZDUSSCGKSA-N 2 2 300.410 1.323 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001325464557 868054221 /nfs/dbraw/zinc/05/42/21/868054221.db2.gz AUVRSJZNWORGKM-LSDHHAIUSA-N 2 2 304.438 1.755 20 30 DDEDLP CNC(=O)[C@H](CCCC[NH3+])Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163438987 868449570 /nfs/dbraw/zinc/44/95/70/868449570.db2.gz QPVNZHXLDMEEMP-HNNXBMFYSA-N 2 2 311.389 1.762 20 30 DDEDLP COc1nc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c(F)cc1C#N ZINC001165354473 869542793 /nfs/dbraw/zinc/54/27/93/869542793.db2.gz AIKRIFVXKCUCKI-UHFFFAOYSA-N 2 2 301.325 1.283 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849611 869735530 /nfs/dbraw/zinc/73/55/30/869735530.db2.gz VENXNGLSBFQMLR-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001338994709 870285326 /nfs/dbraw/zinc/28/53/26/870285326.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC001338994709 870285348 /nfs/dbraw/zinc/28/53/48/870285348.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001338994709 870285365 /nfs/dbraw/zinc/28/53/65/870285365.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338994709 870285385 /nfs/dbraw/zinc/28/53/85/870285385.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203444892 870563883 /nfs/dbraw/zinc/56/38/83/870563883.db2.gz VVQIXVWCNVSASO-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001317720783 871441816 /nfs/dbraw/zinc/44/18/16/871441816.db2.gz MBVWUDJGMOWGBD-SJLPKXTDSA-N 2 2 322.412 1.526 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556111 871627521 /nfs/dbraw/zinc/62/75/21/871627521.db2.gz KZLGBGHFROWLRR-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001316874776 872187623 /nfs/dbraw/zinc/18/76/23/872187623.db2.gz DCWVNEXNDFJUFY-CVEARBPZSA-N 2 2 316.449 1.735 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447102 874148506 /nfs/dbraw/zinc/14/85/06/874148506.db2.gz HTQGRTSJOOAOET-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001378302483 874648745 /nfs/dbraw/zinc/64/87/45/874648745.db2.gz WXCFBOANXDLZOZ-HNNXBMFYSA-N 2 2 311.389 1.508 20 30 DDEDLP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001276664473 875054776 /nfs/dbraw/zinc/05/47/76/875054776.db2.gz BKPIWCNZIIKNOU-RBSFLKMASA-N 2 2 302.422 1.584 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001378915896 875905684 /nfs/dbraw/zinc/90/56/84/875905684.db2.gz CKSGTPNMYKUXCS-KGLIPLIRSA-N 2 2 310.829 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975950 876117460 /nfs/dbraw/zinc/11/74/60/876117460.db2.gz ZJMTZAMGTHKSAS-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975950 876117467 /nfs/dbraw/zinc/11/74/67/876117467.db2.gz ZJMTZAMGTHKSAS-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP COc1cccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1C#N ZINC001218977904 877848381 /nfs/dbraw/zinc/84/83/81/877848381.db2.gz JLBMQDIPGPBRGI-CQSZACIVSA-N 2 2 310.357 1.778 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)nc1 ZINC001219422982 878196326 /nfs/dbraw/zinc/19/63/26/878196326.db2.gz SUSQEPHKODUXRX-LRDDRELGSA-N 2 2 307.357 1.248 20 30 DDEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220596662 879122416 /nfs/dbraw/zinc/12/24/16/879122416.db2.gz DCZXCCIRCMYRDA-QZTJIDSGSA-N 2 2 320.396 1.934 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161682 879545211 /nfs/dbraw/zinc/54/52/11/879545211.db2.gz ZJOFXWOBXCOXDU-XHSDSOJGSA-N 2 2 320.437 1.179 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161682 879545220 /nfs/dbraw/zinc/54/52/20/879545220.db2.gz ZJOFXWOBXCOXDU-XHSDSOJGSA-N 2 2 320.437 1.179 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223903970 881141296 /nfs/dbraw/zinc/14/12/96/881141296.db2.gz KKQJBPAZUKPCFY-UHFFFAOYSA-N 2 2 302.422 1.204 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001382358705 883901629 /nfs/dbraw/zinc/90/16/29/883901629.db2.gz VBOFPDANCPCNGO-OLZOCXBDSA-N 2 2 310.829 1.969 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001382358705 883901632 /nfs/dbraw/zinc/90/16/32/883901632.db2.gz VBOFPDANCPCNGO-OLZOCXBDSA-N 2 2 310.829 1.969 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001277609894 886082564 /nfs/dbraw/zinc/08/25/64/886082564.db2.gz ITAMPVBGEVCNSN-LXXRFIIISA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001277609894 886082603 /nfs/dbraw/zinc/08/26/03/886082603.db2.gz ITAMPVBGEVCNSN-LXXRFIIISA-N 2 2 303.450 1.583 20 30 DDEDLP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277663544 886364673 /nfs/dbraw/zinc/36/46/73/886364673.db2.gz ZHCSEAMTNVYZBJ-WBVHZDCISA-N 2 2 316.449 1.848 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001363859669 887414750 /nfs/dbraw/zinc/41/47/50/887414750.db2.gz WOPRVZGEAFYRMI-UHFFFAOYSA-N 2 2 303.410 1.362 20 30 DDEDLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948720 888677918 /nfs/dbraw/zinc/67/79/18/888677918.db2.gz NEAVCCXOMAGPIC-SFHVURJKSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948720 888677927 /nfs/dbraw/zinc/67/79/27/888677927.db2.gz NEAVCCXOMAGPIC-SFHVURJKSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277948720 888677937 /nfs/dbraw/zinc/67/79/37/888677937.db2.gz NEAVCCXOMAGPIC-SFHVURJKSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277948720 888677943 /nfs/dbraw/zinc/67/79/43/888677943.db2.gz NEAVCCXOMAGPIC-SFHVURJKSA-N 2 2 320.481 1.946 20 30 DDEDLP C=CC[NH2+]CC[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001235611425 888801572 /nfs/dbraw/zinc/80/15/72/888801572.db2.gz IXEVPHPITFGNAM-QZTJIDSGSA-N 2 2 308.466 1.917 20 30 DDEDLP C=CC[NH2+]CC[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001235611425 888801586 /nfs/dbraw/zinc/80/15/86/888801586.db2.gz IXEVPHPITFGNAM-QZTJIDSGSA-N 2 2 308.466 1.917 20 30 DDEDLP C#CC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001278626395 894606773 /nfs/dbraw/zinc/60/67/73/894606773.db2.gz BQJANCGXYSPEMS-OAHLLOKOSA-N 2 2 302.422 1.686 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001367976591 898373496 /nfs/dbraw/zinc/37/34/96/898373496.db2.gz KKQHJSYBOREYSM-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001367976591 898373511 /nfs/dbraw/zinc/37/35/11/898373511.db2.gz KKQHJSYBOREYSM-KRWDZBQOSA-N 2 2 312.417 1.345 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001370196252 902720824 /nfs/dbraw/zinc/72/08/24/902720824.db2.gz FGXLXOGQLIABDL-KBPBESRZSA-N 2 2 322.840 1.682 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279574106 903333092 /nfs/dbraw/zinc/33/30/92/903333092.db2.gz OAYZLKZMHZADAP-UHFFFAOYSA-N 2 2 311.857 1.972 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279574106 903333100 /nfs/dbraw/zinc/33/31/00/903333100.db2.gz OAYZLKZMHZADAP-UHFFFAOYSA-N 2 2 311.857 1.972 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577926 903335753 /nfs/dbraw/zinc/33/57/53/903335753.db2.gz VXGXFOWRTYYDKN-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577926 903335762 /nfs/dbraw/zinc/33/57/62/903335762.db2.gz VXGXFOWRTYYDKN-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001375053794 914797242 /nfs/dbraw/zinc/79/72/42/914797242.db2.gz KOXXLGBXQUAOSE-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001375053794 914797253 /nfs/dbraw/zinc/79/72/53/914797253.db2.gz KOXXLGBXQUAOSE-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001375053794 914797277 /nfs/dbraw/zinc/79/72/77/914797277.db2.gz KOXXLGBXQUAOSE-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001375053794 914797287 /nfs/dbraw/zinc/79/72/87/914797287.db2.gz KOXXLGBXQUAOSE-MELADBBJSA-N 2 2 301.862 1.906 20 30 DDEDLP C#CCC[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001281023230 904328216 /nfs/dbraw/zinc/32/82/16/904328216.db2.gz KPVYUPZFPUXBQS-UHFFFAOYSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001281253104 904623597 /nfs/dbraw/zinc/62/35/97/904623597.db2.gz KHLSEHQBTXOOHK-UHFFFAOYSA-N 2 2 312.373 1.065 20 30 DDEDLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001281740175 905191783 /nfs/dbraw/zinc/19/17/83/905191783.db2.gz PIQUCQMHFYZQEL-KRWDZBQOSA-N 2 2 324.428 1.809 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001316622479 906084621 /nfs/dbraw/zinc/08/46/21/906084621.db2.gz DZMKKQAWJUCJIP-GASCZTMLSA-N 2 2 312.417 1.856 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283904419 908163637 /nfs/dbraw/zinc/16/36/37/908163637.db2.gz FZTAFZDUYPGZMY-HUUCEWRRSA-N 2 2 320.437 1.134 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633674 909253350 /nfs/dbraw/zinc/25/33/50/909253350.db2.gz PCRQGPOJGWEHPZ-KKUMJFAQSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCCC[N@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001284938027 909771863 /nfs/dbraw/zinc/77/18/63/909771863.db2.gz JVOLFFNFMQEPKP-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=CCCC[N@@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001284938027 909771867 /nfs/dbraw/zinc/77/18/67/909771867.db2.gz JVOLFFNFMQEPKP-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316661331 916682188 /nfs/dbraw/zinc/68/21/88/916682188.db2.gz AQTCUDUCQUOBML-SOUVJXGZSA-N 2 2 302.422 1.486 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316661331 916682191 /nfs/dbraw/zinc/68/21/91/916682191.db2.gz AQTCUDUCQUOBML-SOUVJXGZSA-N 2 2 302.422 1.486 20 30 DDEDLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccc1C#N ZINC001378017698 923712680 /nfs/dbraw/zinc/71/26/80/923712680.db2.gz FRDPHUJOLTWCNB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccccc1C#N ZINC001378017698 923712686 /nfs/dbraw/zinc/71/26/86/923712686.db2.gz FRDPHUJOLTWCNB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccccc1C#N ZINC001378017698 923712697 /nfs/dbraw/zinc/71/26/97/923712697.db2.gz FRDPHUJOLTWCNB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccccc1C#N ZINC001378017698 923712709 /nfs/dbraw/zinc/71/27/09/923712709.db2.gz FRDPHUJOLTWCNB-PBHICJAKSA-N 2 2 314.433 1.589 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000623617582 365959544 /nfs/dbraw/zinc/95/95/44/365959544.db2.gz CFBFLGXDRYKVJH-KRWDZBQOSA-N 2 2 317.433 1.681 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000623617582 365959547 /nfs/dbraw/zinc/95/95/47/365959547.db2.gz CFBFLGXDRYKVJH-KRWDZBQOSA-N 2 2 317.433 1.681 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174210793 198306315 /nfs/dbraw/zinc/30/63/15/198306315.db2.gz CZJKCTSFNRFSQU-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174210793 198306317 /nfs/dbraw/zinc/30/63/17/198306317.db2.gz CZJKCTSFNRFSQU-KBPBESRZSA-N 2 2 310.442 1.050 20 30 DDEDLP C[C@@H]1CCC[C@](CNC[C@H](O)C[N@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845971 354713300 /nfs/dbraw/zinc/71/33/00/354713300.db2.gz WWCGTRMAPUMPLW-IKGGRYGDSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[C@](CNC[C@H](O)C[N@@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845971 354713303 /nfs/dbraw/zinc/71/33/03/354713303.db2.gz WWCGTRMAPUMPLW-IKGGRYGDSA-N 2 2 310.486 1.293 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)C#N)CC2)CC1 ZINC000591551156 355326308 /nfs/dbraw/zinc/32/63/08/355326308.db2.gz KYRHPAAWAVOHEX-OAHLLOKOSA-N 2 2 321.469 1.348 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)C#N)CC2)CC1 ZINC000591551156 355326311 /nfs/dbraw/zinc/32/63/11/355326311.db2.gz KYRHPAAWAVOHEX-OAHLLOKOSA-N 2 2 321.469 1.348 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000591742887 355375371 /nfs/dbraw/zinc/37/53/71/355375371.db2.gz PZHVLTFTCZJEMY-SJORKVTESA-N 2 2 317.433 1.762 20 30 DDEDLP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1C[NH+](C)C1 ZINC000597204437 357092124 /nfs/dbraw/zinc/09/21/24/357092124.db2.gz BYAHANAEQOKIDD-UHFFFAOYSA-N 2 2 324.432 1.852 20 30 DDEDLP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1C[NH+](C)C1 ZINC000597204437 357092130 /nfs/dbraw/zinc/09/21/30/357092130.db2.gz BYAHANAEQOKIDD-UHFFFAOYSA-N 2 2 324.432 1.852 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598617833 357655186 /nfs/dbraw/zinc/65/51/86/357655186.db2.gz HWJBFRPRUWASAJ-JKSUJKDBSA-N 2 2 309.454 1.331 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598617833 357655189 /nfs/dbraw/zinc/65/51/89/357655189.db2.gz HWJBFRPRUWASAJ-JKSUJKDBSA-N 2 2 309.454 1.331 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600732083 358300259 /nfs/dbraw/zinc/30/02/59/358300259.db2.gz WRUTUHMQZBPUGZ-BMFZPTHFSA-N 2 2 307.438 1.130 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600732083 358300264 /nfs/dbraw/zinc/30/02/64/358300264.db2.gz WRUTUHMQZBPUGZ-BMFZPTHFSA-N 2 2 307.438 1.130 20 30 DDEDLP CC(C)C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000602095201 358811162 /nfs/dbraw/zinc/81/11/62/358811162.db2.gz FFSIJKZBLGZZOR-CQSZACIVSA-N 2 2 303.410 1.574 20 30 DDEDLP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000602652986 359102450 /nfs/dbraw/zinc/10/24/50/359102450.db2.gz FYLPQROTCSAZQM-WZYMTQMTSA-N 2 2 306.454 1.599 20 30 DDEDLP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000602652986 359102453 /nfs/dbraw/zinc/10/24/53/359102453.db2.gz FYLPQROTCSAZQM-WZYMTQMTSA-N 2 2 306.454 1.599 20 30 DDEDLP C[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602863301 359248175 /nfs/dbraw/zinc/24/81/75/359248175.db2.gz MVGYCYHIZRWQLG-CVEARBPZSA-N 2 2 314.433 1.784 20 30 DDEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910616 359701579 /nfs/dbraw/zinc/70/15/79/359701579.db2.gz VMUNTEPTVUJDSQ-WXHSDQCUSA-N 2 2 318.808 1.690 20 30 DDEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910584 359701698 /nfs/dbraw/zinc/70/16/98/359701698.db2.gz VCZUHSPGNRLNDS-BZUAXINKSA-N 2 2 312.417 1.473 20 30 DDEDLP N#CCN1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000611559536 360760336 /nfs/dbraw/zinc/76/03/36/360760336.db2.gz UNCAXBFJNTUOAN-UHFFFAOYSA-N 2 2 318.387 1.981 20 30 DDEDLP CN(C)c1c[nH+]ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000619807988 364157217 /nfs/dbraw/zinc/15/72/17/364157217.db2.gz UBXSRVFZPAVUOG-UHFFFAOYSA-N 2 2 318.425 1.269 20 30 DDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccccn1 ZINC000170906120 407550449 /nfs/dbraw/zinc/55/04/49/407550449.db2.gz PJRDEKROUMPCTQ-UHFFFAOYSA-N 2 2 317.437 1.843 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000152283997 407599524 /nfs/dbraw/zinc/59/95/24/407599524.db2.gz PFDBKLWGNQNWCW-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152404134 407630553 /nfs/dbraw/zinc/63/05/53/407630553.db2.gz GTVJXAUMFWCVLP-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152404134 407630559 /nfs/dbraw/zinc/63/05/59/407630559.db2.gz GTVJXAUMFWCVLP-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152404134 407630560 /nfs/dbraw/zinc/63/05/60/407630560.db2.gz GTVJXAUMFWCVLP-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152404134 407630566 /nfs/dbraw/zinc/63/05/66/407630566.db2.gz GTVJXAUMFWCVLP-OAHLLOKOSA-N 2 2 306.454 1.603 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000171719501 407750700 /nfs/dbraw/zinc/75/07/00/407750700.db2.gz WTNYGVOKDPNGCV-UHFFFAOYSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172152343 407806722 /nfs/dbraw/zinc/80/67/22/407806722.db2.gz QBENIJSZWDYLIH-UHFFFAOYSA-N 2 2 305.422 1.822 20 30 DDEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172152343 407806726 /nfs/dbraw/zinc/80/67/26/407806726.db2.gz QBENIJSZWDYLIH-UHFFFAOYSA-N 2 2 305.422 1.822 20 30 DDEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000153472405 407833018 /nfs/dbraw/zinc/83/30/18/407833018.db2.gz ODZZEXVAXLNDNX-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000153472405 407833026 /nfs/dbraw/zinc/83/30/26/407833026.db2.gz ODZZEXVAXLNDNX-INIZCTEOSA-N 2 2 315.417 1.721 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173641381 407890681 /nfs/dbraw/zinc/89/06/81/407890681.db2.gz CPQHPGHLPCOXNV-OAHLLOKOSA-N 2 2 311.470 1.500 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000268690889 408158011 /nfs/dbraw/zinc/15/80/11/408158011.db2.gz HDHFRLATCBPFQP-SFHVURJKSA-N 2 2 312.461 1.939 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000268690889 408158015 /nfs/dbraw/zinc/15/80/15/408158015.db2.gz HDHFRLATCBPFQP-SFHVURJKSA-N 2 2 312.461 1.939 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000264358881 408459490 /nfs/dbraw/zinc/45/94/90/408459490.db2.gz DINYPOIBSXTUKX-UHFFFAOYSA-N 2 2 303.410 1.443 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274815800 408542858 /nfs/dbraw/zinc/54/28/58/408542858.db2.gz IRNIUAJODCLNFP-SOLBZPMBSA-N 2 2 313.445 1.625 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274815800 408542864 /nfs/dbraw/zinc/54/28/64/408542864.db2.gz IRNIUAJODCLNFP-SOLBZPMBSA-N 2 2 313.445 1.625 20 30 DDEDLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265650611 408730706 /nfs/dbraw/zinc/73/07/06/408730706.db2.gz UGQRJXRXFHOTIL-ONEGZZNKSA-N 2 2 312.417 1.320 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000296849967 409666213 /nfs/dbraw/zinc/66/62/13/409666213.db2.gz JXHGQQZBCUYEKX-UHFFFAOYSA-N 2 2 317.437 1.528 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328611587 409933862 /nfs/dbraw/zinc/93/38/62/409933862.db2.gz OQQYRLCLKFCTQC-RBSFLKMASA-N 2 2 317.437 1.843 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328611587 409933869 /nfs/dbraw/zinc/93/38/69/409933869.db2.gz OQQYRLCLKFCTQC-RBSFLKMASA-N 2 2 317.437 1.843 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329159214 410135426 /nfs/dbraw/zinc/13/54/26/410135426.db2.gz XINJIUAATNJIBR-HNNXBMFYSA-N 2 2 307.442 1.852 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329635859 410393536 /nfs/dbraw/zinc/39/35/36/410393536.db2.gz URVBRPKONDVRSH-ZIAGYGMSSA-N 2 2 317.437 1.599 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329635859 410393542 /nfs/dbraw/zinc/39/35/42/410393542.db2.gz URVBRPKONDVRSH-ZIAGYGMSSA-N 2 2 317.437 1.599 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588614 410489714 /nfs/dbraw/zinc/48/97/14/410489714.db2.gz LYKNOLXAHMVRGM-MLGOLLRUSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588614 410489717 /nfs/dbraw/zinc/48/97/17/410489717.db2.gz LYKNOLXAHMVRGM-MLGOLLRUSA-N 2 2 318.396 1.688 20 30 DDEDLP Cc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000331295321 411063773 /nfs/dbraw/zinc/06/37/73/411063773.db2.gz RUJDLECBUZAKJT-UHFFFAOYSA-N 2 2 314.433 1.509 20 30 DDEDLP C[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000366790422 418517470 /nfs/dbraw/zinc/51/74/70/418517470.db2.gz AQHLXLMJEATGLV-CQSZACIVSA-N 2 2 306.454 1.553 20 30 DDEDLP C[C@@H]1CN(C(=O)CC(C)(C)C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000366790422 418517471 /nfs/dbraw/zinc/51/74/71/418517471.db2.gz AQHLXLMJEATGLV-CQSZACIVSA-N 2 2 306.454 1.553 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245590100 222217303 /nfs/dbraw/zinc/21/73/03/222217303.db2.gz KOPOCIIJKANITA-KFWWJZLASA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245590100 222217307 /nfs/dbraw/zinc/21/73/07/222217307.db2.gz KOPOCIIJKANITA-KFWWJZLASA-N 2 2 303.410 1.527 20 30 DDEDLP CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000264136165 222323936 /nfs/dbraw/zinc/32/39/36/222323936.db2.gz VHOGMJYBKJSUJZ-INIZCTEOSA-N 2 2 320.437 1.230 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000262708243 222291345 /nfs/dbraw/zinc/29/13/45/222291345.db2.gz ODQOUZBIYNTLEF-OAHLLOKOSA-N 2 2 304.394 1.285 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000262708243 222291347 /nfs/dbraw/zinc/29/13/47/222291347.db2.gz ODQOUZBIYNTLEF-OAHLLOKOSA-N 2 2 304.394 1.285 20 30 DDEDLP CC#CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000361384094 418641895 /nfs/dbraw/zinc/64/18/95/418641895.db2.gz ITSIGUYOMVGHOG-UHFFFAOYSA-N 2 2 306.454 1.258 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000362384481 418754537 /nfs/dbraw/zinc/75/45/37/418754537.db2.gz GFBJZKQJAJFVIF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000362384481 418754539 /nfs/dbraw/zinc/75/45/39/418754539.db2.gz GFBJZKQJAJFVIF-INIZCTEOSA-N 2 2 319.453 1.306 20 30 DDEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000368595065 418723484 /nfs/dbraw/zinc/72/34/84/418723484.db2.gz XYPNWNLBMFTFQK-UHFFFAOYSA-N 2 2 305.397 1.682 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000365736279 418902197 /nfs/dbraw/zinc/90/21/97/418902197.db2.gz NQDSMTHZGRQYFF-IKGGRYGDSA-N 2 2 306.454 1.065 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc(OC)c1O ZINC000414949444 419888086 /nfs/dbraw/zinc/88/80/86/419888086.db2.gz ZOFRNETYILOZCL-SFHVURJKSA-N 2 2 320.433 1.988 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000527377965 421383294 /nfs/dbraw/zinc/38/32/94/421383294.db2.gz ORIUPIODINYBIB-HNNXBMFYSA-N 2 2 304.438 1.499 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000527377965 421383297 /nfs/dbraw/zinc/38/32/97/421383297.db2.gz ORIUPIODINYBIB-HNNXBMFYSA-N 2 2 304.438 1.499 20 30 DDEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000565651183 421599588 /nfs/dbraw/zinc/59/95/88/421599588.db2.gz MLLCSNZMMHRIPD-IRXDYDNUSA-N 2 2 303.406 1.696 20 30 DDEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000565651183 421599590 /nfs/dbraw/zinc/59/95/90/421599590.db2.gz MLLCSNZMMHRIPD-IRXDYDNUSA-N 2 2 303.406 1.696 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nn1 ZINC000657398893 424327732 /nfs/dbraw/zinc/32/77/32/424327732.db2.gz FBPWMDHHLLQFND-SJORKVTESA-N 2 2 319.453 1.322 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153946 424439938 /nfs/dbraw/zinc/43/99/38/424439938.db2.gz CCBOUZCMGGSFNA-RDJZCZTQSA-N 2 2 323.481 1.331 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153946 424439943 /nfs/dbraw/zinc/43/99/43/424439943.db2.gz CCBOUZCMGGSFNA-RDJZCZTQSA-N 2 2 323.481 1.331 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318256 424565600 /nfs/dbraw/zinc/56/56/00/424565600.db2.gz YJPBKLCRGNGYCD-INIZCTEOSA-N 2 2 309.454 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318256 424565605 /nfs/dbraw/zinc/56/56/05/424565605.db2.gz YJPBKLCRGNGYCD-INIZCTEOSA-N 2 2 309.454 1.230 20 30 DDEDLP C=CC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]1 ZINC000662673607 424730947 /nfs/dbraw/zinc/73/09/47/424730947.db2.gz OOKPOYAAPQWNLW-GOSISDBHSA-N 2 2 314.433 1.996 20 30 DDEDLP C=CC[C@@]1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662682774 424733638 /nfs/dbraw/zinc/73/36/38/424733638.db2.gz UWLWGVBUIQNREY-SFHVURJKSA-N 2 2 314.433 1.865 20 30 DDEDLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579422 267069906 /nfs/dbraw/zinc/06/99/06/267069906.db2.gz BLXNOEULUUZYOW-MAUKXSAKSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579422 267069908 /nfs/dbraw/zinc/06/99/08/267069908.db2.gz BLXNOEULUUZYOW-MAUKXSAKSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579422 267069910 /nfs/dbraw/zinc/06/99/10/267069910.db2.gz BLXNOEULUUZYOW-MAUKXSAKSA-N 2 2 319.449 1.880 20 30 DDEDLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519579422 267069912 /nfs/dbraw/zinc/06/99/12/267069912.db2.gz BLXNOEULUUZYOW-MAUKXSAKSA-N 2 2 319.449 1.880 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1nccn1C)C1CCOCC1 ZINC000297166067 275380748 /nfs/dbraw/zinc/38/07/48/275380748.db2.gz DDSIWEXXCZUTEP-MRXNPFEDSA-N 2 2 304.438 1.433 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1nccn1C)C1CCOCC1 ZINC000297166067 275380751 /nfs/dbraw/zinc/38/07/51/275380751.db2.gz DDSIWEXXCZUTEP-MRXNPFEDSA-N 2 2 304.438 1.433 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244083 332302853 /nfs/dbraw/zinc/30/28/53/332302853.db2.gz ONBMZHBTLZLZGN-CQSZACIVSA-N 2 2 303.410 1.528 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000490924754 526949624 /nfs/dbraw/zinc/94/96/24/526949624.db2.gz RGQGEABWLKELKL-ZDUSSCGKSA-N 2 2 321.371 1.393 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491372535 527330487 /nfs/dbraw/zinc/33/04/87/527330487.db2.gz JLBQTZFYIBEZHL-AWEZNQCLSA-N 2 2 305.447 1.346 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491372535 527330495 /nfs/dbraw/zinc/33/04/95/527330495.db2.gz JLBQTZFYIBEZHL-AWEZNQCLSA-N 2 2 305.447 1.346 20 30 DDEDLP CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]1 ZINC000424128372 528305452 /nfs/dbraw/zinc/30/54/52/528305452.db2.gz FIASSDSIPXDQNS-CQSZACIVSA-N 2 2 303.410 1.565 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208880 696708448 /nfs/dbraw/zinc/70/84/48/696708448.db2.gz QFJIKXOKKCISHL-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980208880 696708449 /nfs/dbraw/zinc/70/84/49/696708449.db2.gz QFJIKXOKKCISHL-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980209555 696708497 /nfs/dbraw/zinc/70/84/97/696708497.db2.gz SFXWATBUOPJZHK-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980209555 696708499 /nfs/dbraw/zinc/70/84/99/696708499.db2.gz SFXWATBUOPJZHK-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974694701 695713041 /nfs/dbraw/zinc/71/30/41/695713041.db2.gz SJNPRWXTZINKMU-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974694701 695713042 /nfs/dbraw/zinc/71/30/42/695713042.db2.gz SJNPRWXTZINKMU-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974694701 695713043 /nfs/dbraw/zinc/71/30/43/695713043.db2.gz SJNPRWXTZINKMU-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000974694701 695713044 /nfs/dbraw/zinc/71/30/44/695713044.db2.gz SJNPRWXTZINKMU-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755757 695727686 /nfs/dbraw/zinc/72/76/86/695727686.db2.gz XFNVJBHMSIYWRB-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974755757 695727687 /nfs/dbraw/zinc/72/76/87/695727687.db2.gz XFNVJBHMSIYWRB-GOEBONIOSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981167586 697024528 /nfs/dbraw/zinc/02/45/28/697024528.db2.gz QXBKSQBPYUIYFW-CABCVRRESA-N 2 2 302.422 1.577 20 30 DDEDLP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982597877 697156253 /nfs/dbraw/zinc/15/62/53/697156253.db2.gz DUFYVXXLGKHTGC-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982599650 697156428 /nfs/dbraw/zinc/15/64/28/697156428.db2.gz RBINOQGRSSEAJC-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982599650 697156430 /nfs/dbraw/zinc/15/64/30/697156430.db2.gz RBINOQGRSSEAJC-CALCHBBNSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000986608575 697850922 /nfs/dbraw/zinc/85/09/22/697850922.db2.gz HZNDEIALSVHKQP-WMLDXEAASA-N 2 2 308.385 1.698 20 30 DDEDLP CCC(CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCOCC1 ZINC000303778024 698606471 /nfs/dbraw/zinc/60/64/71/698606471.db2.gz JGNVFSHNOLUUGL-UKRRQHHQSA-N 2 2 314.474 1.063 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000989469933 698634535 /nfs/dbraw/zinc/63/45/35/698634535.db2.gz WTFLBLSALPTMON-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000989469933 698634537 /nfs/dbraw/zinc/63/45/37/698634537.db2.gz WTFLBLSALPTMON-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989558427 698666686 /nfs/dbraw/zinc/66/66/86/698666686.db2.gz MWVLELKEUGWRMZ-GJZGRUSLSA-N 2 2 312.417 1.950 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000728538223 699448805 /nfs/dbraw/zinc/44/88/05/699448805.db2.gz KEVRUYRZSKIISZ-INIZCTEOSA-N 2 2 300.406 1.392 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000744748916 699960055 /nfs/dbraw/zinc/96/00/55/699960055.db2.gz ORIJNHIXYRDYMP-IKGGRYGDSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000744748916 699960056 /nfs/dbraw/zinc/96/00/56/699960056.db2.gz ORIJNHIXYRDYMP-IKGGRYGDSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000744748916 699960057 /nfs/dbraw/zinc/96/00/57/699960057.db2.gz ORIJNHIXYRDYMP-IKGGRYGDSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000744748916 699960058 /nfs/dbraw/zinc/96/00/58/699960058.db2.gz ORIJNHIXYRDYMP-IKGGRYGDSA-N 2 2 303.450 1.558 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764624973 700979267 /nfs/dbraw/zinc/97/92/67/700979267.db2.gz UNJBZFSMXNJHIT-HZPDHXFCSA-N 2 2 323.387 1.944 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764624973 700979268 /nfs/dbraw/zinc/97/92/68/700979268.db2.gz UNJBZFSMXNJHIT-HZPDHXFCSA-N 2 2 323.387 1.944 20 30 DDEDLP C#C[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000848494207 703557659 /nfs/dbraw/zinc/55/76/59/703557659.db2.gz OXKGMJOEUPLLKK-WMLDXEAASA-N 2 2 303.406 1.206 20 30 DDEDLP C#C[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000848494207 703557661 /nfs/dbraw/zinc/55/76/61/703557661.db2.gz OXKGMJOEUPLLKK-WMLDXEAASA-N 2 2 303.406 1.206 20 30 DDEDLP C#C[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000848494205 703557710 /nfs/dbraw/zinc/55/77/10/703557710.db2.gz OXKGMJOEUPLLKK-RHSMWYFYSA-N 2 2 303.406 1.206 20 30 DDEDLP C#C[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000848494205 703557711 /nfs/dbraw/zinc/55/77/11/703557711.db2.gz OXKGMJOEUPLLKK-RHSMWYFYSA-N 2 2 303.406 1.206 20 30 DDEDLP N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000866703979 706769714 /nfs/dbraw/zinc/76/97/14/706769714.db2.gz QVSLXXVRHJYELZ-CQSZACIVSA-N 2 2 302.397 1.819 20 30 DDEDLP C#CCC[N@@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000852749586 704113045 /nfs/dbraw/zinc/11/30/45/704113045.db2.gz AFWFUYRPCXKOCJ-UHFFFAOYSA-N 2 2 316.445 1.991 20 30 DDEDLP C#CCC[N@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000852749586 704113046 /nfs/dbraw/zinc/11/30/46/704113046.db2.gz AFWFUYRPCXKOCJ-UHFFFAOYSA-N 2 2 316.445 1.991 20 30 DDEDLP C#Cc1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000853458618 704242593 /nfs/dbraw/zinc/24/25/93/704242593.db2.gz ZKCNHEQKZQMZJU-JWTNVVGKSA-N 2 2 310.445 1.810 20 30 DDEDLP C#Cc1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000853458618 704242595 /nfs/dbraw/zinc/24/25/95/704242595.db2.gz ZKCNHEQKZQMZJU-JWTNVVGKSA-N 2 2 310.445 1.810 20 30 DDEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823883368 705334768 /nfs/dbraw/zinc/33/47/68/705334768.db2.gz PHVWHQUZKROLOV-ZDUSSCGKSA-N 2 2 312.421 1.995 20 30 DDEDLP C#Cc1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000827813577 706071215 /nfs/dbraw/zinc/07/12/15/706071215.db2.gz VBPBGJPYZFKDCG-SJPCQFCGSA-N 2 2 311.433 1.205 20 30 DDEDLP C#Cc1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000827813577 706071218 /nfs/dbraw/zinc/07/12/18/706071218.db2.gz VBPBGJPYZFKDCG-SJPCQFCGSA-N 2 2 311.433 1.205 20 30 DDEDLP N#CC1(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880569647 707021424 /nfs/dbraw/zinc/02/14/24/707021424.db2.gz NIDGDUDMCGOCAO-INIZCTEOSA-N 2 2 323.400 1.776 20 30 DDEDLP N#CC1(CCCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000903745475 711265829 /nfs/dbraw/zinc/26/58/29/711265829.db2.gz ILTBIUFLGSQHDE-MRXNPFEDSA-N 2 2 318.465 1.747 20 30 DDEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC1 ZINC000903745475 711265832 /nfs/dbraw/zinc/26/58/32/711265832.db2.gz ILTBIUFLGSQHDE-MRXNPFEDSA-N 2 2 318.465 1.747 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858970 711305954 /nfs/dbraw/zinc/30/59/54/711305954.db2.gz KPFHFFMHBUQZAC-INMHGKMJSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858970 711305958 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ZINC001087630595 740683344 /nfs/dbraw/zinc/68/33/44/740683344.db2.gz PIGTXKFZOSBHQB-CWRNSKLLSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629273 740688643 /nfs/dbraw/zinc/68/86/43/740688643.db2.gz JSQLLVORAJDHDC-OWCLPIDISA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629273 740688646 /nfs/dbraw/zinc/68/86/46/740688646.db2.gz JSQLLVORAJDHDC-OWCLPIDISA-N 2 2 316.449 1.991 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087629053 740688704 /nfs/dbraw/zinc/68/87/04/740688704.db2.gz ZMHCVHFRMPIACK-CWRNSKLLSA-N 2 2 300.406 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087629053 740688706 /nfs/dbraw/zinc/68/87/06/740688706.db2.gz ZMHCVHFRMPIACK-CWRNSKLLSA-N 2 2 300.406 1.048 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981633 751631744 /nfs/dbraw/zinc/63/17/44/751631744.db2.gz BNNBHDUSWKOZAC-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981633 751631748 /nfs/dbraw/zinc/63/17/48/751631748.db2.gz BNNBHDUSWKOZAC-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981633 751631754 /nfs/dbraw/zinc/63/17/54/751631754.db2.gz BNNBHDUSWKOZAC-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981633 751631758 /nfs/dbraw/zinc/63/17/58/751631758.db2.gz BNNBHDUSWKOZAC-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998314293 751707583 /nfs/dbraw/zinc/70/75/83/751707583.db2.gz OMGAZOOLGJQDJB-WDEREUQCSA-N 2 2 316.327 1.507 20 30 DDEDLP C=CCSCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001180739996 742907533 /nfs/dbraw/zinc/90/75/33/742907533.db2.gz IWLIVXSBPRQCLA-UHFFFAOYSA-N 2 2 300.468 1.913 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001030031440 743740775 /nfs/dbraw/zinc/74/07/75/743740775.db2.gz CPQGHNCNOSYEAU-PMPSAXMXSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001030031440 743740781 /nfs/dbraw/zinc/74/07/81/743740781.db2.gz CPQGHNCNOSYEAU-PMPSAXMXSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001030031440 743740784 /nfs/dbraw/zinc/74/07/84/743740784.db2.gz CPQGHNCNOSYEAU-PMPSAXMXSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001030031440 743740788 /nfs/dbraw/zinc/74/07/88/743740788.db2.gz CPQGHNCNOSYEAU-PMPSAXMXSA-N 2 2 309.429 1.413 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273222 743997730 /nfs/dbraw/zinc/99/77/30/743997730.db2.gz JXQOQXQICAIJEL-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001030328997 744053793 /nfs/dbraw/zinc/05/37/93/744053793.db2.gz YKMJDUPSSAZYQR-SJORKVTESA-N 2 2 321.465 1.110 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184903193 744123782 /nfs/dbraw/zinc/12/37/82/744123782.db2.gz NAIKENPJXBKUPY-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030464424 744178894 /nfs/dbraw/zinc/17/88/94/744178894.db2.gz SFTZWVYKLVRNKW-SFHVURJKSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030464424 744178898 /nfs/dbraw/zinc/17/88/98/744178898.db2.gz SFTZWVYKLVRNKW-SFHVURJKSA-N 2 2 317.477 1.855 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185379324 744211441 /nfs/dbraw/zinc/21/14/41/744211441.db2.gz BXKBWLUGMGXPKN-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185380051 744211472 /nfs/dbraw/zinc/21/14/72/744211472.db2.gz HOHAXRZBYXWNQX-AAEUAGOBSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185595173 744255458 /nfs/dbraw/zinc/25/54/58/744255458.db2.gz PZYXGEVSFVRMOL-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000447 744563482 /nfs/dbraw/zinc/56/34/82/744563482.db2.gz PSIYJHUAZSIAOB-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015000447 744563485 /nfs/dbraw/zinc/56/34/85/744563485.db2.gz PSIYJHUAZSIAOB-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184091 745125041 /nfs/dbraw/zinc/12/50/41/745125041.db2.gz YJKWZHOTHAUNCF-RDJZCZTQSA-N 2 2 302.422 1.820 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184091 745125043 /nfs/dbraw/zinc/12/50/43/745125043.db2.gz YJKWZHOTHAUNCF-RDJZCZTQSA-N 2 2 302.422 1.820 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342848 745616242 /nfs/dbraw/zinc/61/62/42/745616242.db2.gz GGKSRFZLBWCHTB-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339324 746011270 /nfs/dbraw/zinc/01/12/70/746011270.db2.gz RURJBBDERDEZQH-GOEBONIOSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993339324 746011277 /nfs/dbraw/zinc/01/12/77/746011277.db2.gz RURJBBDERDEZQH-GOEBONIOSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993701882 746295547 /nfs/dbraw/zinc/29/55/47/746295547.db2.gz GOPKVEYVTIXDMU-DZGCQCFKSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993701882 746295551 /nfs/dbraw/zinc/29/55/51/746295551.db2.gz GOPKVEYVTIXDMU-DZGCQCFKSA-N 2 2 303.406 1.557 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994081257 746445288 /nfs/dbraw/zinc/44/52/88/746445288.db2.gz PIPVHQXJVVHZSU-IAGOWNOFSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994081257 746445291 /nfs/dbraw/zinc/44/52/91/746445291.db2.gz PIPVHQXJVVHZSU-IAGOWNOFSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568170 747250782 /nfs/dbraw/zinc/25/07/82/747250782.db2.gz FWAHWTSAMPLPGK-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC(C)(C)C1 ZINC001089568170 747250787 /nfs/dbraw/zinc/25/07/87/747250787.db2.gz FWAHWTSAMPLPGK-HNNXBMFYSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001003606449 747323088 /nfs/dbraw/zinc/32/30/88/747323088.db2.gz METAWKBKVLEVJY-CQSZACIVSA-N 2 2 300.406 1.434 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004540135 748543687 /nfs/dbraw/zinc/54/36/87/748543687.db2.gz BKCNTZKAPOFGDW-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004540135 748543691 /nfs/dbraw/zinc/54/36/91/748543691.db2.gz BKCNTZKAPOFGDW-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004540135 748543693 /nfs/dbraw/zinc/54/36/93/748543693.db2.gz BKCNTZKAPOFGDW-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@@H]1CC[NH+](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004540135 748543698 /nfs/dbraw/zinc/54/36/98/748543698.db2.gz BKCNTZKAPOFGDW-WBVHZDCISA-N 2 2 318.465 1.555 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007708274 752287595 /nfs/dbraw/zinc/28/75/95/752287595.db2.gz VGEMXQHOFUIHDK-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007708274 752287599 /nfs/dbraw/zinc/28/75/99/752287599.db2.gz VGEMXQHOFUIHDK-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216763 748714039 /nfs/dbraw/zinc/71/40/39/748714039.db2.gz KJGDBQHMUQUNTJ-OAHLLOKOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213325 748950921 /nfs/dbraw/zinc/95/09/21/748950921.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213325 748950927 /nfs/dbraw/zinc/95/09/27/748950927.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213325 748950935 /nfs/dbraw/zinc/95/09/35/748950935.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213325 748950942 /nfs/dbraw/zinc/95/09/42/748950942.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033372541 749275545 /nfs/dbraw/zinc/27/55/45/749275545.db2.gz GKBRKGAPPKOKPG-HNNXBMFYSA-N 2 2 303.406 1.511 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033372541 749275554 /nfs/dbraw/zinc/27/55/54/749275554.db2.gz GKBRKGAPPKOKPG-HNNXBMFYSA-N 2 2 303.406 1.511 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001039397045 761995948 /nfs/dbraw/zinc/99/59/48/761995948.db2.gz QBMUSNBRXOBOGV-OAGGEKHMSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001039397045 761995951 /nfs/dbraw/zinc/99/59/51/761995951.db2.gz QBMUSNBRXOBOGV-OAGGEKHMSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089896418 750158638 /nfs/dbraw/zinc/15/86/38/750158638.db2.gz MOZKPNLDGXWMAC-IVSAIRAKSA-N 2 2 314.433 1.615 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]c[nH+]c1C ZINC001089896418 750158641 /nfs/dbraw/zinc/15/86/41/750158641.db2.gz MOZKPNLDGXWMAC-IVSAIRAKSA-N 2 2 314.433 1.615 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111338572 750482836 /nfs/dbraw/zinc/48/28/36/750482836.db2.gz SDDGJBOUAIMOIR-BMFZPTHFSA-N 2 2 300.406 1.098 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111338572 750482840 /nfs/dbraw/zinc/48/28/40/750482840.db2.gz SDDGJBOUAIMOIR-BMFZPTHFSA-N 2 2 300.406 1.098 20 30 DDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005618667 750709515 /nfs/dbraw/zinc/70/95/15/750709515.db2.gz RUDWRQFHGJLXEE-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032522584 751183899 /nfs/dbraw/zinc/18/38/99/751183899.db2.gz AFOCIYSTQVPLMP-GJZGRUSLSA-N 2 2 312.417 1.070 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032522584 751183904 /nfs/dbraw/zinc/18/39/04/751183904.db2.gz AFOCIYSTQVPLMP-GJZGRUSLSA-N 2 2 312.417 1.070 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231219 751332669 /nfs/dbraw/zinc/33/26/69/751332669.db2.gz KCQHUNZUKJGUER-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231219 751332676 /nfs/dbraw/zinc/33/26/76/751332676.db2.gz KCQHUNZUKJGUER-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001036274899 752345223 /nfs/dbraw/zinc/34/52/23/752345223.db2.gz DMALVHRYZXAMIZ-ZBFHGGJFSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001036275487 752346133 /nfs/dbraw/zinc/34/61/33/752346133.db2.gz IMSHKXXMXRQUIF-DOMZBBRYSA-N 2 2 324.856 1.932 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999538569 752982140 /nfs/dbraw/zinc/98/21/40/752982140.db2.gz YIJZSUUPWMCXEC-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001540119 754388794 /nfs/dbraw/zinc/38/87/94/754388794.db2.gz ABQPBYQHDKVCDA-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940280 756665018 /nfs/dbraw/zinc/66/50/18/756665018.db2.gz INQOAFLBEZUSIM-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940280 756665022 /nfs/dbraw/zinc/66/50/22/756665022.db2.gz INQOAFLBEZUSIM-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001057482 762510540 /nfs/dbraw/zinc/51/05/40/762510540.db2.gz XDJLLNNDVJVEAB-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373470 757118302 /nfs/dbraw/zinc/11/83/02/757118302.db2.gz ORKITHVEPPXPLR-SRABZTEZSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373470 757118309 /nfs/dbraw/zinc/11/83/09/757118309.db2.gz ORKITHVEPPXPLR-SRABZTEZSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001016695913 757275906 /nfs/dbraw/zinc/27/59/06/757275906.db2.gz UITIJHXGNKXQPZ-CABCVRRESA-N 2 2 312.417 1.049 20 30 DDEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442764 762537463 /nfs/dbraw/zinc/53/74/63/762537463.db2.gz FSQXSQFLAVBPGW-QAPCUYQASA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442764 762537466 /nfs/dbraw/zinc/53/74/66/762537466.db2.gz FSQXSQFLAVBPGW-QAPCUYQASA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465432 757582725 /nfs/dbraw/zinc/58/27/25/757582725.db2.gz LCYWUTFEMAFYCP-BZUAXINKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465432 757582731 /nfs/dbraw/zinc/58/27/31/757582731.db2.gz LCYWUTFEMAFYCP-BZUAXINKSA-N 2 2 314.433 1.554 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017849167 758295527 /nfs/dbraw/zinc/29/55/27/758295527.db2.gz FZXPOYRWDGAWQD-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017849167 758295536 /nfs/dbraw/zinc/29/55/36/758295536.db2.gz FZXPOYRWDGAWQD-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017849167 758295547 /nfs/dbraw/zinc/29/55/47/758295547.db2.gz FZXPOYRWDGAWQD-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017849167 758295552 /nfs/dbraw/zinc/29/55/52/758295552.db2.gz FZXPOYRWDGAWQD-LUKYLMHMSA-N 2 2 303.450 1.415 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2 ZINC001053296564 758352139 /nfs/dbraw/zinc/35/21/39/758352139.db2.gz QXLSCSVXMDOQNZ-HNNXBMFYSA-N 2 2 309.454 1.062 20 30 DDEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054061113 759113318 /nfs/dbraw/zinc/11/33/18/759113318.db2.gz UWQIXNBNCWYGIO-ROUUACIJSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054061113 759113322 /nfs/dbraw/zinc/11/33/22/759113322.db2.gz UWQIXNBNCWYGIO-ROUUACIJSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061113 759113328 /nfs/dbraw/zinc/11/33/28/759113328.db2.gz UWQIXNBNCWYGIO-ROUUACIJSA-N 2 2 311.429 1.114 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061113 759113333 /nfs/dbraw/zinc/11/33/33/759113333.db2.gz UWQIXNBNCWYGIO-ROUUACIJSA-N 2 2 311.429 1.114 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085249484 759198723 /nfs/dbraw/zinc/19/87/23/759198723.db2.gz FWHXAQSAJBUHGA-RBSFLKMASA-N 2 2 302.422 1.649 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144171 759219973 /nfs/dbraw/zinc/21/99/73/759219973.db2.gz RBTSNTWCRLDYPU-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144171 759219980 /nfs/dbraw/zinc/21/99/80/759219980.db2.gz RBTSNTWCRLDYPU-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144171 759219988 /nfs/dbraw/zinc/21/99/88/759219988.db2.gz RBTSNTWCRLDYPU-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144171 759219993 /nfs/dbraw/zinc/21/99/93/759219993.db2.gz RBTSNTWCRLDYPU-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038366702 761053359 /nfs/dbraw/zinc/05/33/59/761053359.db2.gz IPGXCJRTHPMTHC-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038366702 761053368 /nfs/dbraw/zinc/05/33/68/761053368.db2.gz IPGXCJRTHPMTHC-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038366702 761053378 /nfs/dbraw/zinc/05/33/78/761053378.db2.gz IPGXCJRTHPMTHC-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038366702 761053388 /nfs/dbraw/zinc/05/33/88/761053388.db2.gz IPGXCJRTHPMTHC-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086406125 761556029 /nfs/dbraw/zinc/55/60/29/761556029.db2.gz BQDSGQZHWIROLL-KKUMJFAQSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000246193 761598053 /nfs/dbraw/zinc/59/80/53/761598053.db2.gz MANSDEQNCWXXIX-MGPQQGTHSA-N 2 2 322.840 1.857 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769630 762918107 /nfs/dbraw/zinc/91/81/07/762918107.db2.gz XZBWQZPVBWMFKY-DZKIICNBSA-N 2 2 302.422 1.888 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041418760 763015404 /nfs/dbraw/zinc/01/54/04/763015404.db2.gz NVQLUAAWQLIUER-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041418760 763015412 /nfs/dbraw/zinc/01/54/12/763015412.db2.gz NVQLUAAWQLIUER-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503806 763084357 /nfs/dbraw/zinc/08/43/57/763084357.db2.gz SPVZNDLMVKDUKM-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503806 763084362 /nfs/dbraw/zinc/08/43/62/763084362.db2.gz SPVZNDLMVKDUKM-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001050948651 764329160 /nfs/dbraw/zinc/32/91/60/764329160.db2.gz MFFOSTJPSNFGCT-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001050948651 764329166 /nfs/dbraw/zinc/32/91/66/764329166.db2.gz MFFOSTJPSNFGCT-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001050948651 764329169 /nfs/dbraw/zinc/32/91/69/764329169.db2.gz MFFOSTJPSNFGCT-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001050948651 764329175 /nfs/dbraw/zinc/32/91/75/764329175.db2.gz MFFOSTJPSNFGCT-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112907017 764949268 /nfs/dbraw/zinc/94/92/68/764949268.db2.gz WLYSGUJTPHQYPH-OAHLLOKOSA-N 2 2 315.433 1.013 20 30 DDEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965067 765053359 /nfs/dbraw/zinc/05/33/59/765053359.db2.gz DPQORFRLHNJKGK-HNNXBMFYSA-N 2 2 302.422 1.871 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045483443 766339943 /nfs/dbraw/zinc/33/99/43/766339943.db2.gz LCADERPWPWCAES-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096329063 769200095 /nfs/dbraw/zinc/20/00/95/769200095.db2.gz QUAXNAIIHSQRON-COXVUDFISA-N 2 2 323.400 1.788 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096329063 769200099 /nfs/dbraw/zinc/20/00/99/769200099.db2.gz QUAXNAIIHSQRON-COXVUDFISA-N 2 2 323.400 1.788 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048544467 769517320 /nfs/dbraw/zinc/51/73/20/769517320.db2.gz DGFCRFHWJAJZQM-MUJYYYPQSA-N 2 2 322.412 1.940 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048544467 769517331 /nfs/dbraw/zinc/51/73/31/769517331.db2.gz DGFCRFHWJAJZQM-MUJYYYPQSA-N 2 2 322.412 1.940 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071627676 769743644 /nfs/dbraw/zinc/74/36/44/769743644.db2.gz JNIRDCDSTJLHRM-KGLIPLIRSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071627676 769743654 /nfs/dbraw/zinc/74/36/54/769743654.db2.gz JNIRDCDSTJLHRM-KGLIPLIRSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629044 769747122 /nfs/dbraw/zinc/74/71/22/769747122.db2.gz VYUOCGWYONIQEZ-ZIAGYGMSSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071629044 769747129 /nfs/dbraw/zinc/74/71/29/769747129.db2.gz VYUOCGWYONIQEZ-ZIAGYGMSSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133371591 769754236 /nfs/dbraw/zinc/75/42/36/769754236.db2.gz SXMZZDYTSUNDSZ-OCCSQVGLSA-N 2 2 310.829 1.710 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197785 770534109 /nfs/dbraw/zinc/53/41/09/770534109.db2.gz RSVIWGVRFHGNJV-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197785 770534114 /nfs/dbraw/zinc/53/41/14/770534114.db2.gz RSVIWGVRFHGNJV-GASCZTMLSA-N 2 2 302.422 1.319 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049510772 770948963 /nfs/dbraw/zinc/94/89/63/770948963.db2.gz ICHFYGCMGWMVDH-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049510772 770948970 /nfs/dbraw/zinc/94/89/70/770948970.db2.gz ICHFYGCMGWMVDH-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049510772 770948973 /nfs/dbraw/zinc/94/89/73/770948973.db2.gz ICHFYGCMGWMVDH-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049510772 770948981 /nfs/dbraw/zinc/94/89/81/770948981.db2.gz ICHFYGCMGWMVDH-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757696 771136775 /nfs/dbraw/zinc/13/67/75/771136775.db2.gz BKZFVVSAMNHTCT-OWCLPIDISA-N 2 2 300.406 1.533 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757696 771136776 /nfs/dbraw/zinc/13/67/76/771136776.db2.gz BKZFVVSAMNHTCT-OWCLPIDISA-N 2 2 300.406 1.533 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867598 771218779 /nfs/dbraw/zinc/21/87/79/771218779.db2.gz NUXISOAJKYSBMB-HOTGVXAUSA-N 2 2 302.422 1.902 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867598 771218784 /nfs/dbraw/zinc/21/87/84/771218784.db2.gz NUXISOAJKYSBMB-HOTGVXAUSA-N 2 2 302.422 1.902 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945041 771798052 /nfs/dbraw/zinc/79/80/52/771798052.db2.gz UJDYFEIRPYTUSI-ZIAGYGMSSA-N 2 2 308.426 1.038 20 30 DDEDLP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945654 773733985 /nfs/dbraw/zinc/73/39/85/773733985.db2.gz GJVZPBMOQVERNG-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742175 774243895 /nfs/dbraw/zinc/24/38/95/774243895.db2.gz OHYICBBTDUZSQK-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742175 774243897 /nfs/dbraw/zinc/24/38/97/774243897.db2.gz OHYICBBTDUZSQK-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747854 774247694 /nfs/dbraw/zinc/24/76/94/774247694.db2.gz IJMDGJOSNUAIAZ-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747854 774247700 /nfs/dbraw/zinc/24/77/00/774247700.db2.gz IJMDGJOSNUAIAZ-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093590007 774872357 /nfs/dbraw/zinc/87/23/57/774872357.db2.gz BLJPYONQLVSBLE-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093590007 774872368 /nfs/dbraw/zinc/87/23/68/774872368.db2.gz BLJPYONQLVSBLE-HNNXBMFYSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080949 775655880 /nfs/dbraw/zinc/65/58/80/775655880.db2.gz ODQHZXBQQMMPJD-KGLIPLIRSA-N 2 2 317.861 1.022 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080949 775655886 /nfs/dbraw/zinc/65/58/86/775655886.db2.gz ODQHZXBQQMMPJD-KGLIPLIRSA-N 2 2 317.861 1.022 20 30 DDEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970437 776946960 /nfs/dbraw/zinc/94/69/60/776946960.db2.gz GGCTVLRRZPLSAM-MJBXVCDLSA-N 2 2 310.442 1.818 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001174683766 777551308 /nfs/dbraw/zinc/55/13/08/777551308.db2.gz VRBBHGGYJIKBLJ-UHFFFAOYSA-N 2 2 311.389 1.428 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157034 778465382 /nfs/dbraw/zinc/46/53/82/778465382.db2.gz PXYJPKFHGUDLOL-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001177157034 778465386 /nfs/dbraw/zinc/46/53/86/778465386.db2.gz PXYJPKFHGUDLOL-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103136934 778659965 /nfs/dbraw/zinc/65/99/65/778659965.db2.gz ULSFVELXTHJYNO-HUUCEWRRSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103136934 778659969 /nfs/dbraw/zinc/65/99/69/778659969.db2.gz ULSFVELXTHJYNO-HUUCEWRRSA-N 2 2 315.417 1.340 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704067 779152988 /nfs/dbraw/zinc/15/29/88/779152988.db2.gz MBNXLSKHAHVDGQ-HOCLYGCPSA-N 2 2 310.401 1.859 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001179912534 779558314 /nfs/dbraw/zinc/55/83/14/779558314.db2.gz FRRGDIVWGQSGLC-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001119317945 781403298 /nfs/dbraw/zinc/40/32/98/781403298.db2.gz OSAZHYPDAMJKHN-HOTGVXAUSA-N 2 2 311.389 1.762 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267046792 837246084 /nfs/dbraw/zinc/24/60/84/837246084.db2.gz HDTILRLWOSMVHD-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267861649 839092942 /nfs/dbraw/zinc/09/29/42/839092942.db2.gz CFOSSEOOYVLYIK-CXAGYDPISA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267861649 839092955 /nfs/dbraw/zinc/09/29/55/839092955.db2.gz CFOSSEOOYVLYIK-CXAGYDPISA-N 2 2 302.422 1.486 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267930531 839213219 /nfs/dbraw/zinc/21/32/19/839213219.db2.gz IWDMPZPTCSWMDS-HDJSIYSDSA-N 2 2 306.410 1.172 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCCCC)C1 ZINC001269138482 841256044 /nfs/dbraw/zinc/25/60/44/841256044.db2.gz NQPNXKVIFHHJMB-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001269138482 841256053 /nfs/dbraw/zinc/25/60/53/841256053.db2.gz NQPNXKVIFHHJMB-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCCC)C1 ZINC001269138482 841256060 /nfs/dbraw/zinc/25/60/60/841256060.db2.gz NQPNXKVIFHHJMB-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCCC)C1 ZINC001269138482 841256071 /nfs/dbraw/zinc/25/60/71/841256071.db2.gz NQPNXKVIFHHJMB-SJORKVTESA-N 2 2 305.466 1.855 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001269234915 841392425 /nfs/dbraw/zinc/39/24/25/841392425.db2.gz GIPREXMHQLWFPO-CABCVRRESA-N 2 2 302.422 1.610 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001269234915 841392434 /nfs/dbraw/zinc/39/24/34/841392434.db2.gz GIPREXMHQLWFPO-CABCVRRESA-N 2 2 302.422 1.610 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001269804856 842063105 /nfs/dbraw/zinc/06/31/05/842063105.db2.gz JGOXYLWSZIDZIX-QGZVFWFLSA-N 2 2 316.449 1.905 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812261 842070850 /nfs/dbraw/zinc/07/08/50/842070850.db2.gz AROPGWXWEPBDBA-GJZGRUSLSA-N 2 2 316.449 1.943 20 30 DDEDLP C#CCC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1CC ZINC001271462719 843625751 /nfs/dbraw/zinc/62/57/51/843625751.db2.gz UJIMNRLRPGMSNG-SFHVURJKSA-N 2 2 324.428 1.916 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271687773 843780648 /nfs/dbraw/zinc/78/06/48/843780648.db2.gz NJMNEHARJKZZTK-HOTGVXAUSA-N 2 2 320.437 1.302 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279498 848240220 /nfs/dbraw/zinc/24/02/20/848240220.db2.gz UGDULKGIPLGMDZ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279498 848240225 /nfs/dbraw/zinc/24/02/25/848240225.db2.gz UGDULKGIPLGMDZ-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391434 848426007 /nfs/dbraw/zinc/42/60/07/848426007.db2.gz MDYAZRRTSLKBMR-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391434 848426011 /nfs/dbraw/zinc/42/60/11/848426011.db2.gz MDYAZRRTSLKBMR-GJZGRUSLSA-N 2 2 314.433 1.824 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275413375 853087758 /nfs/dbraw/zinc/08/77/58/853087758.db2.gz JNZUASMTWVFICS-UHFFFAOYSA-N 2 2 302.397 1.377 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155838897 862492330 /nfs/dbraw/zinc/49/23/30/862492330.db2.gz GRJWOTQWWJBWKL-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155838897 862492337 /nfs/dbraw/zinc/49/23/37/862492337.db2.gz GRJWOTQWWJBWKL-CQSZACIVSA-N 2 2 317.861 1.288 20 30 DDEDLP C=CCC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151374687 862749426 /nfs/dbraw/zinc/74/94/26/862749426.db2.gz LXCURGKTAGGDJR-UHFFFAOYSA-N 2 2 320.437 1.516 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860787 857814083 /nfs/dbraw/zinc/81/40/83/857814083.db2.gz HLKFBQJMOFNICB-AWEZNQCLSA-N 2 2 300.406 1.166 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860787 857814090 /nfs/dbraw/zinc/81/40/90/857814090.db2.gz HLKFBQJMOFNICB-AWEZNQCLSA-N 2 2 300.406 1.166 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129134 858124772 /nfs/dbraw/zinc/12/47/72/858124772.db2.gz IPIWAQBPSUAZKD-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129134 858124773 /nfs/dbraw/zinc/12/47/73/858124773.db2.gz IPIWAQBPSUAZKD-UHFFFAOYSA-N 2 2 300.406 1.245 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013855 860594773 /nfs/dbraw/zinc/59/47/73/860594773.db2.gz LUNMMVQIHSPHMS-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013855 860594779 /nfs/dbraw/zinc/59/47/79/860594779.db2.gz LUNMMVQIHSPHMS-CABCVRRESA-N 2 2 302.422 1.935 20 30 DDEDLP N#Cc1cc(Cl)cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258643 864521555 /nfs/dbraw/zinc/52/15/55/864521555.db2.gz FHBJWQXPSGZVON-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258643 864521560 /nfs/dbraw/zinc/52/15/60/864521560.db2.gz FHBJWQXPSGZVON-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2[nH]c(C)cc21 ZINC001159921525 865598820 /nfs/dbraw/zinc/59/88/20/865598820.db2.gz YIGRPONXUWPZNR-ZDUSSCGKSA-N 2 2 317.393 1.905 20 30 DDEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693793 866035792 /nfs/dbraw/zinc/03/57/92/866035792.db2.gz QIKBBNVWHIDPJM-HOTGVXAUSA-N 2 2 323.400 1.557 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189702 866432927 /nfs/dbraw/zinc/43/29/27/866432927.db2.gz XYGFRFMPOGPOLT-HNNXBMFYSA-N 2 2 312.417 1.601 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214522 866446762 /nfs/dbraw/zinc/44/67/62/866446762.db2.gz AYNCXVNJCLAMPG-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320770186 867017730 /nfs/dbraw/zinc/01/77/30/867017730.db2.gz WJAZHYZFDLHTGE-ZDUSSCGKSA-N 2 2 310.829 1.636 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165847897 869733470 /nfs/dbraw/zinc/73/34/70/869733470.db2.gz HCBZVXLKYCQGLO-AWEZNQCLSA-N 2 2 302.422 1.508 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138795 869863116 /nfs/dbraw/zinc/86/31/16/869863116.db2.gz SSGFGDDIQWWIDH-UHFFFAOYSA-N 2 2 310.401 1.847 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317190667 870443970 /nfs/dbraw/zinc/44/39/70/870443970.db2.gz WKOIYDQKUAUIRH-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317192144 870445941 /nfs/dbraw/zinc/44/59/41/870445941.db2.gz CKIBFFYMZFLYET-AWEZNQCLSA-N 2 2 302.422 1.681 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204061438 870912436 /nfs/dbraw/zinc/91/24/36/870912436.db2.gz AJBBBLAOWMJPJC-UHFFFAOYSA-N 2 2 310.829 1.996 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001340628316 871243869 /nfs/dbraw/zinc/24/38/69/871243869.db2.gz XICVZPRUEHTAGG-HNNXBMFYSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001340628316 871243885 /nfs/dbraw/zinc/24/38/85/871243885.db2.gz XICVZPRUEHTAGG-HNNXBMFYSA-N 2 2 318.469 1.761 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001205742082 871770660 /nfs/dbraw/zinc/77/06/60/871770660.db2.gz VBGXBARNRIWLEE-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316946892 872442653 /nfs/dbraw/zinc/44/26/53/872442653.db2.gz FPRXYVJIAIQIFU-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316946892 872442660 /nfs/dbraw/zinc/44/26/60/872442660.db2.gz FPRXYVJIAIQIFU-INIZCTEOSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001319362520 872597469 /nfs/dbraw/zinc/59/74/69/872597469.db2.gz HNZSRPFFRBMXSU-AWEZNQCLSA-N 2 2 302.422 1.650 20 30 DDEDLP C=CCCC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209161585 874700224 /nfs/dbraw/zinc/70/02/24/874700224.db2.gz MZBAEOKVNULTLX-KRWDZBQOSA-N 2 2 317.481 1.529 20 30 DDEDLP C=CCCC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209161585 874700231 /nfs/dbraw/zinc/70/02/31/874700231.db2.gz MZBAEOKVNULTLX-KRWDZBQOSA-N 2 2 317.481 1.529 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698750 875059900 /nfs/dbraw/zinc/05/99/00/875059900.db2.gz CVUWTUUVGDDMCL-RBSFLKMASA-N 2 2 300.406 1.128 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705816 876787622 /nfs/dbraw/zinc/78/76/22/876787622.db2.gz RZQMGFUCHCQIJI-BZUAXINKSA-N 2 2 320.437 1.473 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C ZINC001379558299 877391051 /nfs/dbraw/zinc/39/10/51/877391051.db2.gz AMNBGJCSMHOBDM-ZIAGYGMSSA-N 2 2 310.829 1.995 20 30 DDEDLP N#Cc1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)ccc1N1CCCCC1 ZINC001218944494 877826241 /nfs/dbraw/zinc/82/62/41/877826241.db2.gz MVOMVVFCQKQQOI-ZFWWWQNUSA-N 2 2 313.405 1.176 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001374240477 912289490 /nfs/dbraw/zinc/28/94/90/912289490.db2.gz CGWWZGDMKIIKNQ-QWHCGFSZSA-N 2 2 310.829 1.635 20 30 DDEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609505 879129662 /nfs/dbraw/zinc/12/96/62/879129662.db2.gz PLJJFNNIDXWVDJ-NVXWUHKLSA-N 2 2 317.433 1.424 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609505 879129673 /nfs/dbraw/zinc/12/96/73/879129673.db2.gz PLJJFNNIDXWVDJ-NVXWUHKLSA-N 2 2 317.433 1.424 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528586 883537599 /nfs/dbraw/zinc/53/75/99/883537599.db2.gz GNHIZTLWWAROCN-RBSFLKMASA-N 2 2 314.433 1.870 20 30 DDEDLP CCC[N@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230617508 884657511 /nfs/dbraw/zinc/65/75/11/884657511.db2.gz BMZLAFVWJGCMNA-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230617508 884657523 /nfs/dbraw/zinc/65/75/23/884657523.db2.gz BMZLAFVWJGCMNA-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230617508 884657535 /nfs/dbraw/zinc/65/75/35/884657535.db2.gz BMZLAFVWJGCMNA-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230617508 884657547 /nfs/dbraw/zinc/65/75/47/884657547.db2.gz BMZLAFVWJGCMNA-QGZVFWFLSA-N 2 2 320.481 1.945 20 30 DDEDLP C=CC[N@H+](C)CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277501107 885437374 /nfs/dbraw/zinc/43/73/74/885437374.db2.gz IDVKCYXPOXIJNS-UHFFFAOYSA-N 2 2 302.378 1.427 20 30 DDEDLP C=CC[N@@H+](C)CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277501107 885437377 /nfs/dbraw/zinc/43/73/77/885437377.db2.gz IDVKCYXPOXIJNS-UHFFFAOYSA-N 2 2 302.378 1.427 20 30 DDEDLP C=CCOc1cccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001231624595 885765161 /nfs/dbraw/zinc/76/51/61/885765161.db2.gz RFDIAQAIIUWIKZ-UHFFFAOYSA-N 2 2 301.434 1.683 20 30 DDEDLP CC[NH+](CC)CCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674230 886525846 /nfs/dbraw/zinc/52/58/46/886525846.db2.gz TZHUCQVOJOJYRQ-UHFFFAOYSA-N 2 2 316.449 1.723 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366482530 893700554 /nfs/dbraw/zinc/70/05/54/893700554.db2.gz XXFSWONCULWAOI-STQMWFEESA-N 2 2 310.829 1.682 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001252467931 895181956 /nfs/dbraw/zinc/18/19/56/895181956.db2.gz IKFVWFYXWARXKK-MRXNPFEDSA-N 2 2 300.418 1.448 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252596322 895298953 /nfs/dbraw/zinc/29/89/53/895298953.db2.gz PGJMTOXZGSEFRD-BQFCYCMXSA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265914562 902586741 /nfs/dbraw/zinc/58/67/41/902586741.db2.gz RMJIZPLMZFOUOC-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371484013 905078048 /nfs/dbraw/zinc/07/80/48/905078048.db2.gz JKTJJSXIWGPJFI-GFCCVEGCSA-N 2 2 315.352 1.188 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281912541 905304167 /nfs/dbraw/zinc/30/41/67/905304167.db2.gz MWAPUJFXJABBLS-IEBWSBKVSA-N 2 2 322.412 1.358 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001393187118 906409260 /nfs/dbraw/zinc/40/92/60/906409260.db2.gz OHQBCLAPIGYYNM-UHFFFAOYSA-N 2 2 324.856 1.933 20 30 DDEDLP CN(C)[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)c1c[nH+]cn1C ZINC000329173223 282165630 /nfs/dbraw/zinc/16/56/30/282165630.db2.gz LJSIRWLTEIGDRH-OAHLLOKOSA-N 2 2 305.426 1.606 20 30 DDEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000328925146 539299713 /nfs/dbraw/zinc/29/97/13/539299713.db2.gz OBJYQGMIOKBWTE-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000328925146 539299715 /nfs/dbraw/zinc/29/97/15/539299715.db2.gz OBJYQGMIOKBWTE-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328925146 539299717 /nfs/dbraw/zinc/29/97/17/539299717.db2.gz OBJYQGMIOKBWTE-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328925146 539299718 /nfs/dbraw/zinc/29/97/18/539299718.db2.gz OBJYQGMIOKBWTE-CABCVRRESA-N 2 2 324.469 1.228 20 30 DDEDLP COCCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181575929 199321473 /nfs/dbraw/zinc/32/14/73/199321473.db2.gz PHEBBNICMSAQMY-UHFFFAOYSA-N 2 2 317.433 1.775 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)c2ccncc2)CC1 ZINC000092224020 353847988 /nfs/dbraw/zinc/84/79/88/353847988.db2.gz HYCAOKRKSYWWMS-QGZVFWFLSA-N 2 2 314.433 1.242 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)c2ccncc2)CC1 ZINC000092224020 353847990 /nfs/dbraw/zinc/84/79/90/353847990.db2.gz HYCAOKRKSYWWMS-QGZVFWFLSA-N 2 2 314.433 1.242 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000316551789 354503665 /nfs/dbraw/zinc/50/36/65/354503665.db2.gz DPCASTNBWMLLOL-UKRRQHHQSA-N 2 2 321.446 1.404 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000316551789 354503669 /nfs/dbraw/zinc/50/36/69/354503669.db2.gz DPCASTNBWMLLOL-UKRRQHHQSA-N 2 2 321.446 1.404 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000594439998 356216075 /nfs/dbraw/zinc/21/60/75/356216075.db2.gz XFRMMKCIDCCCDR-MRXNPFEDSA-N 2 2 315.421 1.137 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000594990412 356369554 /nfs/dbraw/zinc/36/95/54/356369554.db2.gz YVENZDUQKVAROW-KRWDZBQOSA-N 2 2 312.417 1.391 20 30 DDEDLP C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000595334200 356453056 /nfs/dbraw/zinc/45/30/56/356453056.db2.gz QLWXFUNYTRHKFF-QZTJIDSGSA-N 2 2 322.497 1.512 20 30 DDEDLP N#CCNC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550781 356545355 /nfs/dbraw/zinc/54/53/55/356545355.db2.gz CKCKQAUXQSTVEK-UHFFFAOYSA-N 2 2 311.389 1.457 20 30 DDEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598718161 357702658 /nfs/dbraw/zinc/70/26/58/357702658.db2.gz CGBANYOFEYCYKV-CQSZACIVSA-N 2 2 311.470 1.766 20 30 DDEDLP C[N@H+](CCc1ccccc1)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000602099328 358812349 /nfs/dbraw/zinc/81/23/49/358812349.db2.gz WWWSCLXOEFKJDV-UHFFFAOYSA-N 2 2 314.433 1.265 20 30 DDEDLP C[N@@H+](CCc1ccccc1)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000602099328 358812350 /nfs/dbraw/zinc/81/23/50/358812350.db2.gz WWWSCLXOEFKJDV-UHFFFAOYSA-N 2 2 314.433 1.265 20 30 DDEDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(C#N)n3)ccn2)CC1 ZINC000602513994 359021428 /nfs/dbraw/zinc/02/14/28/359021428.db2.gz JNXKJSQCURQKRV-UHFFFAOYSA-N 2 2 322.416 1.390 20 30 DDEDLP C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000602552448 359041647 /nfs/dbraw/zinc/04/16/47/359041647.db2.gz XBYSXNNUHKBDAF-HZPDHXFCSA-N 2 2 309.454 1.643 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289444343 335063680 /nfs/dbraw/zinc/06/36/80/335063680.db2.gz WTNXLXCUYPAMIF-OAHLLOKOSA-N 2 2 322.412 1.495 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369735 407373553 /nfs/dbraw/zinc/37/35/53/407373553.db2.gz BUUQUWSTAWZONY-CYBMUJFWSA-N 2 2 302.260 1.607 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369735 407373554 /nfs/dbraw/zinc/37/35/54/407373554.db2.gz BUUQUWSTAWZONY-CYBMUJFWSA-N 2 2 302.260 1.607 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(OC)c1O ZINC000131486577 407736314 /nfs/dbraw/zinc/73/63/14/407736314.db2.gz CZWDSPOSJAUIST-KRWDZBQOSA-N 2 2 308.422 1.532 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000267160774 407773562 /nfs/dbraw/zinc/77/35/62/407773562.db2.gz FVWZEOMZCCPKIQ-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000267160774 407773570 /nfs/dbraw/zinc/77/35/70/407773570.db2.gz FVWZEOMZCCPKIQ-HNNXBMFYSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1(C#N)CCCCC1 ZINC000118842301 407952490 /nfs/dbraw/zinc/95/24/90/407952490.db2.gz JRQFSAPODQRJPO-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1(C#N)CCCCC1 ZINC000118842301 407952495 /nfs/dbraw/zinc/95/24/95/407952495.db2.gz JRQFSAPODQRJPO-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1(C#N)CCCCC1 ZINC000118842301 407952503 /nfs/dbraw/zinc/95/25/03/407952503.db2.gz JRQFSAPODQRJPO-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP CN(C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1(C#N)CCCCC1 ZINC000118842301 407952507 /nfs/dbraw/zinc/95/25/07/407952507.db2.gz JRQFSAPODQRJPO-INIZCTEOSA-N 2 2 320.481 1.945 20 30 DDEDLP C#CCNC(=O)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000294206083 409259477 /nfs/dbraw/zinc/25/94/77/409259477.db2.gz RPTJEUVZRBBRFJ-UHFFFAOYSA-N 2 2 301.390 1.373 20 30 DDEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099509 410314116 /nfs/dbraw/zinc/31/41/16/410314116.db2.gz NJQGTWLTRBFUJH-UHFFFAOYSA-N 2 2 310.405 1.671 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352856479 410681287 /nfs/dbraw/zinc/68/12/87/410681287.db2.gz XBVKIQSBJVKNQI-UHFFFAOYSA-N 2 2 321.450 1.047 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000647908960 423111857 /nfs/dbraw/zinc/11/18/57/423111857.db2.gz APZLCEFUAQUNHI-UHFFFAOYSA-N 3 2 309.498 1.852 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000374206072 418504419 /nfs/dbraw/zinc/50/44/19/418504419.db2.gz CFKHEMNMQKRBIM-MRXNPFEDSA-N 2 2 301.394 1.398 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245590558 222217570 /nfs/dbraw/zinc/21/75/70/222217570.db2.gz KOPOCIIJKANITA-RBSFLKMASA-N 2 2 303.410 1.527 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245590558 222217573 /nfs/dbraw/zinc/21/75/73/222217573.db2.gz KOPOCIIJKANITA-RBSFLKMASA-N 2 2 303.410 1.527 20 30 DDEDLP C[NH+]=C(NCc1cccs1)NCc1c[nH+]c(N(C)C)n1C ZINC000262402690 222279137 /nfs/dbraw/zinc/27/91/37/222279137.db2.gz MOIZOQTXFWPICE-UHFFFAOYSA-N 2 2 306.439 1.413 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](CC(C)C)C1 ZINC000262801459 222295486 /nfs/dbraw/zinc/29/54/86/222295486.db2.gz RABPURXSCQONBO-AWEZNQCLSA-N 2 2 320.485 1.930 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](CC(C)(C)CCC#N)CC2)C(=O)C1 ZINC000367877364 418650746 /nfs/dbraw/zinc/65/07/46/418650746.db2.gz GUGQWMUAQLOXKE-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](CC(C)(C)CCC#N)CC2)C(=O)C1 ZINC000367877364 418650749 /nfs/dbraw/zinc/65/07/49/418650749.db2.gz GUGQWMUAQLOXKE-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378065671 418718674 /nfs/dbraw/zinc/71/86/74/418718674.db2.gz AYJOCFRIVJSDQK-CYBMUJFWSA-N 2 2 303.410 1.217 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378065671 418718675 /nfs/dbraw/zinc/71/86/75/418718675.db2.gz AYJOCFRIVJSDQK-CYBMUJFWSA-N 2 2 303.410 1.217 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599382 418735021 /nfs/dbraw/zinc/73/50/21/418735021.db2.gz CYKALFJZYUANSG-OAGGEKHMSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599382 418735023 /nfs/dbraw/zinc/73/50/23/418735023.db2.gz CYKALFJZYUANSG-OAGGEKHMSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599382 418735025 /nfs/dbraw/zinc/73/50/25/418735025.db2.gz CYKALFJZYUANSG-OAGGEKHMSA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599382 418735027 /nfs/dbraw/zinc/73/50/27/418735027.db2.gz CYKALFJZYUANSG-OAGGEKHMSA-N 2 2 304.438 1.165 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1C#N ZINC000370231488 418742038 /nfs/dbraw/zinc/74/20/38/418742038.db2.gz SEXVECIBFWWBBR-DLBZAZTESA-N 2 2 315.417 1.910 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1C#N ZINC000370231488 418742042 /nfs/dbraw/zinc/74/20/42/418742042.db2.gz SEXVECIBFWWBBR-DLBZAZTESA-N 2 2 315.417 1.910 20 30 DDEDLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC#N ZINC000364368628 418776588 /nfs/dbraw/zinc/77/65/88/418776588.db2.gz IYYLHWWDSSYGJD-UHFFFAOYSA-N 2 2 306.454 1.555 20 30 DDEDLP COC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000371335327 418779728 /nfs/dbraw/zinc/77/97/28/418779728.db2.gz JPDLQJWVOADRGP-OAHLLOKOSA-N 2 2 324.384 1.981 20 30 DDEDLP C=CCC(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458603569 420696557 /nfs/dbraw/zinc/69/65/57/420696557.db2.gz UKWSTSDARNYQJX-UHFFFAOYSA-N 2 2 310.486 1.914 20 30 DDEDLP CC(C)[N@@H+]1CCCC[C@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462644 421200660 /nfs/dbraw/zinc/20/06/60/421200660.db2.gz ICDNKEGLVJWHEY-SFHVURJKSA-N 2 2 322.497 1.797 20 30 DDEDLP CC(C)[N@H+]1CCCC[C@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450462644 421200663 /nfs/dbraw/zinc/20/06/63/421200663.db2.gz ICDNKEGLVJWHEY-SFHVURJKSA-N 2 2 322.497 1.797 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516781285 421567874 /nfs/dbraw/zinc/56/78/74/421567874.db2.gz GUMCNNHAZRLEBS-CQSZACIVSA-N 2 2 303.410 1.121 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000530232092 268298600 /nfs/dbraw/zinc/29/86/00/268298600.db2.gz MXBVQXFJDNCXPD-GJZGRUSLSA-N 2 2 312.373 1.099 20 30 DDEDLP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261932995 275732728 /nfs/dbraw/zinc/73/27/28/275732728.db2.gz BUPGZHZUQOPDBV-LSDHHAIUSA-N 2 2 319.453 1.647 20 30 DDEDLP C[C@H]1[NH+](CC#CC[N@@H+]2CCOC(C)(C)[C@H]2C)CCOC1(C)C ZINC000341889694 280037381 /nfs/dbraw/zinc/03/73/81/280037381.db2.gz KZQAMDCKKBRIRA-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1[NH+](CC#CC[N@H+]2CCOC(C)(C)[C@H]2C)CCOC1(C)C ZINC000341889694 280037384 /nfs/dbraw/zinc/03/73/84/280037384.db2.gz KZQAMDCKKBRIRA-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)CCC#N)CC1 ZINC000354621945 289068316 /nfs/dbraw/zinc/06/83/16/289068316.db2.gz DHUVERMTJPJVKU-UHFFFAOYSA-N 2 2 323.485 1.642 20 30 DDEDLP N#CCC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000571396591 333781957 /nfs/dbraw/zinc/78/19/57/333781957.db2.gz HXCSFCSDRJJGPS-UHFFFAOYSA-N 2 2 316.405 1.351 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000583880255 337375617 /nfs/dbraw/zinc/37/56/17/337375617.db2.gz RTAZFKPKUCVJHH-INIZCTEOSA-N 2 2 323.481 1.400 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000564411674 484337617 /nfs/dbraw/zinc/33/76/17/484337617.db2.gz WOZMAKASFMZYMQ-GJZGRUSLSA-N 2 2 320.462 1.872 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331278161 534271630 /nfs/dbraw/zinc/27/16/30/534271630.db2.gz DJZFXNSJLJUATB-NFOMZHRRSA-N 2 2 307.442 1.896 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000490780282 526949451 /nfs/dbraw/zinc/94/94/51/526949451.db2.gz JCTYTWOKPYURNX-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000490780282 526949457 /nfs/dbraw/zinc/94/94/57/526949457.db2.gz JCTYTWOKPYURNX-KRWDZBQOSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000491725633 526985556 /nfs/dbraw/zinc/98/55/56/526985556.db2.gz IERBQVKSYLUFJA-MAUKXSAKSA-N 2 2 301.434 1.715 20 30 DDEDLP C#C[C@@H](CC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491694913 527235926 /nfs/dbraw/zinc/23/59/26/527235926.db2.gz BKMHZUJVOMIHOQ-AWEZNQCLSA-N 2 2 306.454 1.256 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@H](C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186693 529019044 /nfs/dbraw/zinc/01/90/44/529019044.db2.gz JYIIWCJOEHSVQA-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@H+]1CCC[C@H](C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186693 529019052 /nfs/dbraw/zinc/01/90/52/529019052.db2.gz JYIIWCJOEHSVQA-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@H](CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186693 529019055 /nfs/dbraw/zinc/01/90/55/529019055.db2.gz JYIIWCJOEHSVQA-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@H+]1CCC[C@H](CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186693 529019059 /nfs/dbraw/zinc/01/90/59/529019059.db2.gz JYIIWCJOEHSVQA-HUUCEWRRSA-N 2 2 319.453 1.822 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818780 695101760 /nfs/dbraw/zinc/10/17/60/695101760.db2.gz QVUAWPIWQHNCHT-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818780 695101763 /nfs/dbraw/zinc/10/17/63/695101763.db2.gz QVUAWPIWQHNCHT-ZBFHGGJFSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062977 695786512 /nfs/dbraw/zinc/78/65/12/695786512.db2.gz QGCPFOGCAQPGNC-JSGCOSHPSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062977 695786513 /nfs/dbraw/zinc/78/65/13/695786513.db2.gz QGCPFOGCAQPGNC-JSGCOSHPSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062977 695786516 /nfs/dbraw/zinc/78/65/16/695786516.db2.gz QGCPFOGCAQPGNC-JSGCOSHPSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062977 695786518 /nfs/dbraw/zinc/78/65/18/695786518.db2.gz QGCPFOGCAQPGNC-JSGCOSHPSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CCNC(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)=[NH+]C ZINC000072745226 696396139 /nfs/dbraw/zinc/39/61/39/696396139.db2.gz FSMFUGWGDCCADV-UHFFFAOYSA-N 3 2 307.486 1.288 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712129 696444656 /nfs/dbraw/zinc/44/46/56/696444656.db2.gz OAPBVLORPNPUSG-XDQVBPFNSA-N 2 2 300.406 1.310 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712129 696444657 /nfs/dbraw/zinc/44/46/57/696444657.db2.gz OAPBVLORPNPUSG-XDQVBPFNSA-N 2 2 300.406 1.310 20 30 DDEDLP C=CC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042376 697012229 /nfs/dbraw/zinc/01/22/29/697012229.db2.gz LKUKBSUZCDBKER-OAHLLOKOSA-N 2 2 302.422 1.945 20 30 DDEDLP C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042376 697012234 /nfs/dbraw/zinc/01/22/34/697012234.db2.gz LKUKBSUZCDBKER-OAHLLOKOSA-N 2 2 302.422 1.945 20 30 DDEDLP COCCN(C)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)cn1 ZINC000790158486 699446079 /nfs/dbraw/zinc/44/60/79/699446079.db2.gz YXWXLCRFKJDREF-UHFFFAOYSA-N 2 2 319.453 1.574 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764624974 700979209 /nfs/dbraw/zinc/97/92/09/700979209.db2.gz UNJBZFSMXNJHIT-JKSUJKDBSA-N 2 2 323.387 1.944 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764624974 700979211 /nfs/dbraw/zinc/97/92/11/700979211.db2.gz UNJBZFSMXNJHIT-JKSUJKDBSA-N 2 2 323.387 1.944 20 30 DDEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569212 706720640 /nfs/dbraw/zinc/72/06/40/706720640.db2.gz LDIYHTBYTARPGH-UONOGXRCSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569212 706720644 /nfs/dbraw/zinc/72/06/44/706720644.db2.gz LDIYHTBYTARPGH-UONOGXRCSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569212 706720647 /nfs/dbraw/zinc/72/06/47/706720647.db2.gz LDIYHTBYTARPGH-UONOGXRCSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569212 706720650 /nfs/dbraw/zinc/72/06/50/706720650.db2.gz LDIYHTBYTARPGH-UONOGXRCSA-N 2 2 318.446 1.974 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000826724555 705858462 /nfs/dbraw/zinc/85/84/62/705858462.db2.gz MCSGVJIUTJTPBV-SFHVURJKSA-N 2 2 311.429 1.635 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000826724555 705858467 /nfs/dbraw/zinc/85/84/67/705858467.db2.gz MCSGVJIUTJTPBV-SFHVURJKSA-N 2 2 311.429 1.635 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886666240 708809839 /nfs/dbraw/zinc/80/98/39/708809839.db2.gz PLPBGRMBEYJUBR-UHFFFAOYSA-N 2 2 317.437 1.968 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131306 708966225 /nfs/dbraw/zinc/96/62/25/708966225.db2.gz VLKWKPANYVETCE-CABCVRRESA-N 2 2 315.421 1.353 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131306 708966228 /nfs/dbraw/zinc/96/62/28/708966228.db2.gz VLKWKPANYVETCE-CABCVRRESA-N 2 2 315.421 1.353 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309897 714061976 /nfs/dbraw/zinc/06/19/76/714061976.db2.gz UITSQFMXNKWNGH-NXHRZFHOSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309897 714061978 /nfs/dbraw/zinc/06/19/78/714061978.db2.gz UITSQFMXNKWNGH-NXHRZFHOSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309897 714061981 /nfs/dbraw/zinc/06/19/81/714061981.db2.gz UITSQFMXNKWNGH-NXHRZFHOSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309897 714061984 /nfs/dbraw/zinc/06/19/84/714061984.db2.gz UITSQFMXNKWNGH-NXHRZFHOSA-N 2 2 305.466 1.849 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000963926433 717947978 /nfs/dbraw/zinc/94/79/78/717947978.db2.gz MTCSXFXMEWIAKB-QDIHITRGSA-N 2 2 314.433 1.516 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000923554915 714399542 /nfs/dbraw/zinc/39/95/42/714399542.db2.gz SCXKMXVVRMQKFL-GJZGRUSLSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000923554915 714399543 /nfs/dbraw/zinc/39/95/43/714399543.db2.gz SCXKMXVVRMQKFL-GJZGRUSLSA-N 2 2 302.422 1.610 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960274710 716475874 /nfs/dbraw/zinc/47/58/74/716475874.db2.gz DKSHEUDSTSYNHV-FGTMMUONSA-N 2 2 311.429 1.476 20 30 DDEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960274710 716475893 /nfs/dbraw/zinc/47/58/93/716475893.db2.gz DKSHEUDSTSYNHV-FGTMMUONSA-N 2 2 311.429 1.476 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961244003 716877476 /nfs/dbraw/zinc/87/74/76/716877476.db2.gz ASJDMRZOEBNOKH-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000961244003 716877482 /nfs/dbraw/zinc/87/74/82/716877482.db2.gz ASJDMRZOEBNOKH-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282307 716894666 /nfs/dbraw/zinc/89/46/66/716894666.db2.gz BRHUGVJPHCGQJQ-HZPDHXFCSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282307 716894673 /nfs/dbraw/zinc/89/46/73/716894673.db2.gz BRHUGVJPHCGQJQ-HZPDHXFCSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961414470 716937169 /nfs/dbraw/zinc/93/71/69/716937169.db2.gz KENGTARTIVFXMP-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000961414470 716937172 /nfs/dbraw/zinc/93/71/72/716937172.db2.gz KENGTARTIVFXMP-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314252 717738462 /nfs/dbraw/zinc/73/84/62/717738462.db2.gz KBWPWRMWNDZXFD-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963314252 717738465 /nfs/dbraw/zinc/73/84/65/717738465.db2.gz KBWPWRMWNDZXFD-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314252 717738467 /nfs/dbraw/zinc/73/84/67/717738467.db2.gz KBWPWRMWNDZXFD-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963314252 717738469 /nfs/dbraw/zinc/73/84/69/717738469.db2.gz KBWPWRMWNDZXFD-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385637 717771782 /nfs/dbraw/zinc/77/17/82/717771782.db2.gz MONPZMZSOGRHHZ-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963385637 717771785 /nfs/dbraw/zinc/77/17/85/717771785.db2.gz MONPZMZSOGRHHZ-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963406324 717777448 /nfs/dbraw/zinc/77/74/48/717777448.db2.gz PLMDVVFHVFWLGC-DOTOQJQBSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963406324 717777453 /nfs/dbraw/zinc/77/74/53/717777453.db2.gz PLMDVVFHVFWLGC-DOTOQJQBSA-N 2 2 314.433 1.597 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089413 718762365 /nfs/dbraw/zinc/76/23/65/718762365.db2.gz RYOFOYGSILFTEV-CZUORRHYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967089413 718762366 /nfs/dbraw/zinc/76/23/66/718762366.db2.gz RYOFOYGSILFTEV-CZUORRHYSA-N 2 2 320.437 1.753 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442246 719165026 /nfs/dbraw/zinc/16/50/26/719165026.db2.gz SAMAAYGNGMNHJO-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947442246 719165030 /nfs/dbraw/zinc/16/50/30/719165030.db2.gz SAMAAYGNGMNHJO-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561378 719547622 /nfs/dbraw/zinc/54/76/22/719547622.db2.gz KURCGDDQYZSGTN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561378 719547627 /nfs/dbraw/zinc/54/76/27/719547627.db2.gz KURCGDDQYZSGTN-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968535067 719650875 /nfs/dbraw/zinc/65/08/75/719650875.db2.gz VREYYTCXJORSRY-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968535067 719650877 /nfs/dbraw/zinc/65/08/77/719650877.db2.gz VREYYTCXJORSRY-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968551994 719661424 /nfs/dbraw/zinc/66/14/24/719661424.db2.gz APLLYLBCTWLZDY-ZFWWWQNUSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968551994 719661426 /nfs/dbraw/zinc/66/14/26/719661426.db2.gz APLLYLBCTWLZDY-ZFWWWQNUSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948899201 719773205 /nfs/dbraw/zinc/77/32/05/719773205.db2.gz RBNUUVOJKVAFRE-ZWKOTPCHSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000948899201 719773206 /nfs/dbraw/zinc/77/32/06/719773206.db2.gz RBNUUVOJKVAFRE-ZWKOTPCHSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899201 719773208 /nfs/dbraw/zinc/77/32/08/719773208.db2.gz RBNUUVOJKVAFRE-ZWKOTPCHSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000948899201 719773210 /nfs/dbraw/zinc/77/32/10/719773210.db2.gz RBNUUVOJKVAFRE-ZWKOTPCHSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968896413 719850625 /nfs/dbraw/zinc/85/06/25/719850625.db2.gz PKCVBWZMHKOYNR-SJORKVTESA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968896413 719850630 /nfs/dbraw/zinc/85/06/30/719850630.db2.gz PKCVBWZMHKOYNR-SJORKVTESA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCF ZINC000968896413 719850638 /nfs/dbraw/zinc/85/06/38/719850638.db2.gz PKCVBWZMHKOYNR-SJORKVTESA-N 2 2 323.456 1.804 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCF ZINC000968896413 719850643 /nfs/dbraw/zinc/85/06/43/719850643.db2.gz PKCVBWZMHKOYNR-SJORKVTESA-N 2 2 323.456 1.804 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000949246909 719973486 /nfs/dbraw/zinc/97/34/86/719973486.db2.gz RSXYCPPVZUEYHF-UHFFFAOYSA-N 2 2 311.389 1.601 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C/C=C/Cl)C1 ZINC000969866722 720540430 /nfs/dbraw/zinc/54/04/30/720540430.db2.gz ZMRQGUAVIHPFJH-HSRYQADGSA-N 2 2 309.841 1.273 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C/C=C/Cl)C1 ZINC000969866722 720540433 /nfs/dbraw/zinc/54/04/33/720540433.db2.gz ZMRQGUAVIHPFJH-HSRYQADGSA-N 2 2 309.841 1.273 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950627220 720711577 /nfs/dbraw/zinc/71/15/77/720711577.db2.gz JUAGCYROEQXSHF-MSOLQXFVSA-N 2 2 313.445 1.662 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950627220 720711579 /nfs/dbraw/zinc/71/15/79/720711579.db2.gz JUAGCYROEQXSHF-MSOLQXFVSA-N 2 2 313.445 1.662 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970482250 720778249 /nfs/dbraw/zinc/77/82/49/720778249.db2.gz QLRZNJUCVXCOCP-MRXNPFEDSA-N 2 2 323.400 1.225 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000952442503 721449974 /nfs/dbraw/zinc/44/99/74/721449974.db2.gz SNKYKCXHFOSJSM-UHFFFAOYSA-N 2 2 311.389 1.601 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027583425 738433696 /nfs/dbraw/zinc/43/36/96/738433696.db2.gz XTCFWKJGVDMLJC-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027583425 738433697 /nfs/dbraw/zinc/43/36/97/738433697.db2.gz XTCFWKJGVDMLJC-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001167167013 732796413 /nfs/dbraw/zinc/79/64/13/732796413.db2.gz BYPGGHVLAFWIIH-CYBMUJFWSA-N 2 2 300.406 1.339 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254673 733378808 /nfs/dbraw/zinc/37/88/08/733378808.db2.gz YXMAXWZBGRMVLZ-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039254673 733378810 /nfs/dbraw/zinc/37/88/10/733378810.db2.gz YXMAXWZBGRMVLZ-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449591 735242408 /nfs/dbraw/zinc/24/24/08/735242408.db2.gz UIISHWIPXMCYDB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449591 735242411 /nfs/dbraw/zinc/24/24/11/735242411.db2.gz UIISHWIPXMCYDB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976569 738895869 /nfs/dbraw/zinc/89/58/69/738895869.db2.gz DDUNGTHBGLGLAN-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027976569 738895871 /nfs/dbraw/zinc/89/58/71/738895871.db2.gz DDUNGTHBGLGLAN-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515166 735891100 /nfs/dbraw/zinc/89/11/00/735891100.db2.gz MXZWDGTWGKHZHP-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001024515166 735891104 /nfs/dbraw/zinc/89/11/04/735891104.db2.gz MXZWDGTWGKHZHP-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516794 735893782 /nfs/dbraw/zinc/89/37/82/735893782.db2.gz NWRLBXDNQPAAHA-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516794 735893785 /nfs/dbraw/zinc/89/37/85/735893785.db2.gz NWRLBXDNQPAAHA-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315840 736069143 /nfs/dbraw/zinc/06/91/43/736069143.db2.gz JDPLAAGPCJPYBB-XYPHTWIQSA-N 2 2 314.433 1.499 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C(C)(C)[C@H]21 ZINC001087315840 736069147 /nfs/dbraw/zinc/06/91/47/736069147.db2.gz JDPLAAGPCJPYBB-XYPHTWIQSA-N 2 2 314.433 1.499 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321442 736094471 /nfs/dbraw/zinc/09/44/71/736094471.db2.gz UGJNOSQKNBTKFA-DJIMGWMZSA-N 2 2 314.433 1.512 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001087321442 736094476 /nfs/dbraw/zinc/09/44/76/736094476.db2.gz UGJNOSQKNBTKFA-DJIMGWMZSA-N 2 2 314.433 1.512 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001026252876 737251791 /nfs/dbraw/zinc/25/17/91/737251791.db2.gz VJZLZXGEOLTBBE-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]12 ZINC001026400242 737483122 /nfs/dbraw/zinc/48/31/22/737483122.db2.gz GWDSLTSQKXAJQL-HZSPNIEDSA-N 2 2 300.406 1.147 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097602 737526734 /nfs/dbraw/zinc/52/67/34/737526734.db2.gz STMCADGWYCRYCY-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518183 737631129 /nfs/dbraw/zinc/63/11/29/737631129.db2.gz KEVANIYPCDDUKY-WLYUNCDWSA-N 2 2 300.406 1.096 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001149129405 738350250 /nfs/dbraw/zinc/35/02/50/738350250.db2.gz BHHBDNHYZIQWRX-UHFFFAOYSA-N 2 2 315.352 1.177 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027505870 738358886 /nfs/dbraw/zinc/35/88/86/738358886.db2.gz UMLZWTSCOOJDSS-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027505870 738358889 /nfs/dbraw/zinc/35/88/89/738358889.db2.gz UMLZWTSCOOJDSS-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027979859 738901253 /nfs/dbraw/zinc/90/12/53/738901253.db2.gz ISTUPMVUBMLTFE-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001027979859 738901254 /nfs/dbraw/zinc/90/12/54/738901254.db2.gz ISTUPMVUBMLTFE-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088102078 741030786 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RWNZBSNABAOACN-SQWLQELKSA-N 2 2 312.417 1.386 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC#CC)C2)CC1 ZINC001035724390 751814736 /nfs/dbraw/zinc/81/47/36/751814736.db2.gz DWMAFFMBKAJADP-KRWDZBQOSA-N 2 2 313.445 1.032 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC#CC)C2)CC1 ZINC001035724390 751814747 /nfs/dbraw/zinc/81/47/47/751814747.db2.gz DWMAFFMBKAJADP-KRWDZBQOSA-N 2 2 313.445 1.032 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731777 743895744 /nfs/dbraw/zinc/89/57/44/743895744.db2.gz UNCBSRJLBKEJLE-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849119 744208278 /nfs/dbraw/zinc/20/82/78/744208278.db2.gz FTECYPYXYKKCBY-MCIONIFRSA-N 2 2 302.422 1.985 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849119 744208280 /nfs/dbraw/zinc/20/82/80/744208280.db2.gz FTECYPYXYKKCBY-MCIONIFRSA-N 2 2 302.422 1.985 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185594542 744254991 /nfs/dbraw/zinc/25/49/91/744254991.db2.gz FIRXCKPDUOWINJ-HOTGVXAUSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035808230 751912269 /nfs/dbraw/zinc/91/22/69/751912269.db2.gz SFMOXBDFAJCBEJ-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001030855075 744728278 /nfs/dbraw/zinc/72/82/78/744728278.db2.gz YURQTDLJMLGGPO-CQSZACIVSA-N 2 2 302.422 1.521 20 30 DDEDLP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191551944 745546808 /nfs/dbraw/zinc/54/68/08/745546808.db2.gz QMSNXPRMVOYZOC-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191551944 745546811 /nfs/dbraw/zinc/54/68/11/745546811.db2.gz QMSNXPRMVOYZOC-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191551944 745546816 /nfs/dbraw/zinc/54/68/16/745546816.db2.gz QMSNXPRMVOYZOC-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191551944 745546820 /nfs/dbraw/zinc/54/68/20/745546820.db2.gz QMSNXPRMVOYZOC-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993512778 746208525 /nfs/dbraw/zinc/20/85/25/746208525.db2.gz FILAYISCEYWQPY-ZFWWWQNUSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993512778 746208529 /nfs/dbraw/zinc/20/85/29/746208529.db2.gz FILAYISCEYWQPY-ZFWWWQNUSA-N 2 2 318.421 1.342 20 30 DDEDLP C#C[C@@H](C)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198036021 747356958 /nfs/dbraw/zinc/35/69/58/747356958.db2.gz HZGJNQBOQZCLKB-OAHLLOKOSA-N 2 2 301.434 1.822 20 30 DDEDLP C#C[C@@H](C)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198036021 747356966 /nfs/dbraw/zinc/35/69/66/747356966.db2.gz HZGJNQBOQZCLKB-OAHLLOKOSA-N 2 2 301.434 1.822 20 30 DDEDLP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221694 747410930 /nfs/dbraw/zinc/41/09/30/747410930.db2.gz NFOUTUMCASDXBM-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP COCC#CC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221694 747410934 /nfs/dbraw/zinc/41/09/34/747410934.db2.gz NFOUTUMCASDXBM-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119461 747719224 /nfs/dbraw/zinc/71/92/24/747719224.db2.gz GFUNMYQRZHYACK-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119461 747719226 /nfs/dbraw/zinc/71/92/26/747719226.db2.gz GFUNMYQRZHYACK-ZACQAIPSSA-N 2 2 317.433 1.027 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089871417 748511437 /nfs/dbraw/zinc/51/14/37/748511437.db2.gz YWUUSVDVGXIKNX-HJWJTTGWSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001089871417 748511439 /nfs/dbraw/zinc/51/14/39/748511439.db2.gz YWUUSVDVGXIKNX-HJWJTTGWSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524922 748540829 /nfs/dbraw/zinc/54/08/29/748540829.db2.gz NHWDLKHQQXZVBY-HOTGVXAUSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007700116 752281188 /nfs/dbraw/zinc/28/11/88/752281188.db2.gz SJGWSMFUNWFTKQ-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007700116 752281191 /nfs/dbraw/zinc/28/11/91/752281191.db2.gz SJGWSMFUNWFTKQ-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700116 752281194 /nfs/dbraw/zinc/28/11/94/752281194.db2.gz SJGWSMFUNWFTKQ-GJZGRUSLSA-N 2 2 316.449 1.980 20 30 DDEDLP 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ZNUHSGXBKDSQND-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488589 767561567 /nfs/dbraw/zinc/56/15/67/767561567.db2.gz RZOTVUUBSYRHQJ-INIZCTEOSA-N 2 2 323.400 1.223 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434318 767562406 /nfs/dbraw/zinc/56/24/06/767562406.db2.gz LLYGVJJEDCRPQH-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434318 767562409 /nfs/dbraw/zinc/56/24/09/767562409.db2.gz LLYGVJJEDCRPQH-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477083 767610735 /nfs/dbraw/zinc/61/07/35/767610735.db2.gz PBSZZKFHDPNMCI-GOSISDBHSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477083 767610743 /nfs/dbraw/zinc/61/07/43/767610743.db2.gz PBSZZKFHDPNMCI-GOSISDBHSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612731 767738595 /nfs/dbraw/zinc/73/85/95/767738595.db2.gz UJCDYDPCRLQWGH-DYVFJYSZSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612731 767738598 /nfs/dbraw/zinc/73/85/98/767738598.db2.gz UJCDYDPCRLQWGH-DYVFJYSZSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825449 768392168 /nfs/dbraw/zinc/39/21/68/768392168.db2.gz PITHGFGJPGHWNK-DOTOQJQBSA-N 2 2 323.481 1.548 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131825449 768392175 /nfs/dbraw/zinc/39/21/75/768392175.db2.gz PITHGFGJPGHWNK-DOTOQJQBSA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825488 768392534 /nfs/dbraw/zinc/39/25/34/768392534.db2.gz QEZKVFJSRSZWJK-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825488 768392541 /nfs/dbraw/zinc/39/25/41/768392541.db2.gz QEZKVFJSRSZWJK-INIZCTEOSA-N 2 2 309.454 1.159 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532473 768962479 /nfs/dbraw/zinc/96/24/79/768962479.db2.gz DKSSDDOPKLNAAU-GJZGRUSLSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532473 768962482 /nfs/dbraw/zinc/96/24/82/768962482.db2.gz DKSSDDOPKLNAAU-GJZGRUSLSA-N 2 2 306.410 1.055 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132998881 769391782 /nfs/dbraw/zinc/39/17/82/769391782.db2.gz SXMSRPBKAOGKKH-LSDHHAIUSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132996521 769404816 /nfs/dbraw/zinc/40/48/16/769404816.db2.gz BVDAFPGBVIPPIK-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782771 771156454 /nfs/dbraw/zinc/15/64/54/771156454.db2.gz QERYCKNPQKSUSP-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782771 771156455 /nfs/dbraw/zinc/15/64/55/771156455.db2.gz QERYCKNPQKSUSP-DJIMGWMZSA-N 2 2 314.433 1.677 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845877 771202990 /nfs/dbraw/zinc/20/29/90/771202990.db2.gz BZQRYNIMDWBADJ-HOTGVXAUSA-N 2 2 300.406 1.051 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049845877 771202993 /nfs/dbraw/zinc/20/29/93/771202993.db2.gz BZQRYNIMDWBADJ-HOTGVXAUSA-N 2 2 300.406 1.051 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869173 771220312 /nfs/dbraw/zinc/22/03/12/771220312.db2.gz DKHVKHZGTKDYBJ-DLBZAZTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869173 771220315 /nfs/dbraw/zinc/22/03/15/771220315.db2.gz DKHVKHZGTKDYBJ-DLBZAZTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519944 772887200 /nfs/dbraw/zinc/88/72/00/772887200.db2.gz PWSLBFVUYCEQDJ-AWEZNQCLSA-N 2 2 313.405 1.941 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074345776 773842004 /nfs/dbraw/zinc/84/20/04/773842004.db2.gz GYEMKLMSSYXHPD-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001074345776 773842011 /nfs/dbraw/zinc/84/20/11/773842011.db2.gz GYEMKLMSSYXHPD-CVEARBPZSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001074419057 773911436 /nfs/dbraw/zinc/91/14/36/773911436.db2.gz FJKUHPVBOSHEES-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001074419057 773911439 /nfs/dbraw/zinc/91/14/39/773911439.db2.gz FJKUHPVBOSHEES-CVEARBPZSA-N 2 2 318.421 1.151 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458173 776184223 /nfs/dbraw/zinc/18/42/23/776184223.db2.gz QSRKQYWNXXLBOT-HWOWSKLDSA-N 2 2 316.449 1.896 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171604536 776367092 /nfs/dbraw/zinc/36/70/92/776367092.db2.gz IKGVEWVETPQSEQ-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001171917618 776518150 /nfs/dbraw/zinc/51/81/50/776518150.db2.gz AZMPABWGIVVIMS-IAGOWNOFSA-N 2 2 323.481 1.385 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001171917618 776518154 /nfs/dbraw/zinc/51/81/54/776518154.db2.gz AZMPABWGIVVIMS-IAGOWNOFSA-N 2 2 323.481 1.385 20 30 DDEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579482 777270211 /nfs/dbraw/zinc/27/02/11/777270211.db2.gz ITHJSHBVVDITMY-UHFFFAOYSA-N 2 2 316.449 1.830 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176774757 778233470 /nfs/dbraw/zinc/23/34/70/778233470.db2.gz HPNYTLOZXJUUMP-DOTOQJQBSA-N 2 2 316.449 1.582 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776683 779475012 /nfs/dbraw/zinc/47/50/12/779475012.db2.gz DTLIMGRNNXNIIX-HNNXBMFYSA-N 2 2 304.438 1.878 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776683 779475015 /nfs/dbraw/zinc/47/50/15/779475015.db2.gz DTLIMGRNNXNIIX-HNNXBMFYSA-N 2 2 304.438 1.878 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120675 779887361 /nfs/dbraw/zinc/88/73/61/779887361.db2.gz CUHBCYBZAIQZJU-UTXMOHQDSA-N 2 2 302.422 1.364 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120675 779887367 /nfs/dbraw/zinc/88/73/67/779887367.db2.gz CUHBCYBZAIQZJU-UTXMOHQDSA-N 2 2 302.422 1.364 20 30 DDEDLP C#CCC[N@H+](CC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266392518 836199343 /nfs/dbraw/zinc/19/93/43/836199343.db2.gz KVTCXPOEFFKBST-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CCC[N@@H+](CC)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266392518 836199346 /nfs/dbraw/zinc/19/93/46/836199346.db2.gz KVTCXPOEFFKBST-UHFFFAOYSA-N 2 2 302.422 1.223 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001266414802 836225847 /nfs/dbraw/zinc/22/58/47/836225847.db2.gz KBWHDTYZEIVCKM-GOEBONIOSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266514926 836397301 /nfs/dbraw/zinc/39/73/01/836397301.db2.gz XGKJRPGUFJUACU-OAHLLOKOSA-N 2 2 316.449 1.776 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266514926 836397312 /nfs/dbraw/zinc/39/73/12/836397312.db2.gz XGKJRPGUFJUACU-OAHLLOKOSA-N 2 2 316.449 1.776 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267108799 837364159 /nfs/dbraw/zinc/36/41/59/837364159.db2.gz SVKVHIHJAVUPMP-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267108799 837364168 /nfs/dbraw/zinc/36/41/68/837364168.db2.gz SVKVHIHJAVUPMP-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001267504838 838203804 /nfs/dbraw/zinc/20/38/04/838203804.db2.gz YULNDTCOFZWJEE-OAHLLOKOSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001267504838 838203816 /nfs/dbraw/zinc/20/38/16/838203816.db2.gz YULNDTCOFZWJEE-OAHLLOKOSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001268210879 839843114 /nfs/dbraw/zinc/84/31/14/839843114.db2.gz HNVPUTBHTSEVDS-HOCLYGCPSA-N 2 2 304.438 1.752 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001270744823 842866170 /nfs/dbraw/zinc/86/61/70/842866170.db2.gz OZDQUOROLLWMJQ-KRWDZBQOSA-N 2 2 301.390 1.094 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCCCC1 ZINC001271353175 843516867 /nfs/dbraw/zinc/51/68/67/843516867.db2.gz ARMVHCFWBGNNBF-INIZCTEOSA-N 2 2 302.422 1.549 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034250877 848168033 /nfs/dbraw/zinc/16/80/33/848168033.db2.gz XYZQVMJACQJBBD-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034250877 848168036 /nfs/dbraw/zinc/16/80/36/848168036.db2.gz XYZQVMJACQJBBD-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034250877 848168039 /nfs/dbraw/zinc/16/80/39/848168039.db2.gz XYZQVMJACQJBBD-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034250877 848168044 /nfs/dbraw/zinc/16/80/44/848168044.db2.gz XYZQVMJACQJBBD-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274412 848221950 /nfs/dbraw/zinc/22/19/50/848221950.db2.gz CTIDMWRDFJDIBQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034274412 848221954 /nfs/dbraw/zinc/22/19/54/848221954.db2.gz CTIDMWRDFJDIBQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426493 862236083 /nfs/dbraw/zinc/23/60/83/862236083.db2.gz VUKDMDRCNATREZ-GOEBONIOSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426493 862236100 /nfs/dbraw/zinc/23/61/00/862236100.db2.gz VUKDMDRCNATREZ-GOEBONIOSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001276094782 854761041 /nfs/dbraw/zinc/76/10/41/854761041.db2.gz RFZZWANXEIGHEH-HOTGVXAUSA-N 2 2 323.481 1.236 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049555951 856972303 /nfs/dbraw/zinc/97/23/03/856972303.db2.gz BQWOOSRIVDYZTJ-OWCLPIDISA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001049555951 856972307 /nfs/dbraw/zinc/97/23/07/856972307.db2.gz BQWOOSRIVDYZTJ-OWCLPIDISA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001049557263 856973549 /nfs/dbraw/zinc/97/35/49/856973549.db2.gz 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C=CC[N@H+]1CCC2(CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)C1 ZINC001073101431 858101120 /nfs/dbraw/zinc/10/11/20/858101120.db2.gz LTLWGBSTIZHYEG-UHFFFAOYSA-N 2 2 323.400 1.601 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815407 862986953 /nfs/dbraw/zinc/98/69/53/862986953.db2.gz UUIOPROFQSAWDJ-GDBMZVCRSA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158255 858148973 /nfs/dbraw/zinc/14/89/73/858148973.db2.gz SHOJECXVGLHWKW-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158255 858148983 /nfs/dbraw/zinc/14/89/83/858148983.db2.gz SHOJECXVGLHWKW-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001122063976 858676079 /nfs/dbraw/zinc/67/60/79/858676079.db2.gz RPHPWXZUTXBGBX-UHFFFAOYSA-N 2 2 316.449 1.946 20 30 DDEDLP N#Cc1cnc(Cl)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258759 864521656 /nfs/dbraw/zinc/52/16/56/864521656.db2.gz IOBASZNVUJFFLY-LLVKDONJSA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1cnc(Cl)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258759 864521662 /nfs/dbraw/zinc/52/16/62/864521662.db2.gz IOBASZNVUJFFLY-LLVKDONJSA-N 2 2 306.801 1.003 20 30 DDEDLP N#Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158259679 864525117 /nfs/dbraw/zinc/52/51/17/864525117.db2.gz VCKCDROVAJBFAU-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158259679 864525134 /nfs/dbraw/zinc/52/51/34/864525134.db2.gz VCKCDROVAJBFAU-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331295006 864993096 /nfs/dbraw/zinc/99/30/96/864993096.db2.gz JXMDOVMAZAFFIP-INIZCTEOSA-N 2 2 316.449 1.777 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001332592395 865962703 /nfs/dbraw/zinc/96/27/03/865962703.db2.gz RUVGJAPGOHIRIT-ZDUSSCGKSA-N 2 2 308.426 1.062 20 30 DDEDLP CC#CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821942 866133832 /nfs/dbraw/zinc/13/38/32/866133832.db2.gz STGZJJKYJSUCHY-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP CC#CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821942 866133841 /nfs/dbraw/zinc/13/38/41/866133841.db2.gz STGZJJKYJSUCHY-UHFFFAOYSA-N 2 2 300.406 1.435 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001319922837 866385830 /nfs/dbraw/zinc/38/58/30/866385830.db2.gz SJUWITLQCKBLBS-HUUCEWRRSA-N 2 2 304.438 1.752 20 30 DDEDLP CNC(=O)C[NH+]1CCC(Nc2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001161144697 866407825 /nfs/dbraw/zinc/40/78/25/866407825.db2.gz QHLXPESHUHOOFN-UHFFFAOYSA-N 2 2 301.394 1.078 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309283 866512530 /nfs/dbraw/zinc/51/25/30/866512530.db2.gz KVALXGYNEORZOR-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163275003 868296806 /nfs/dbraw/zinc/29/68/06/868296806.db2.gz MSVMCJPTUSBENO-MRXNPFEDSA-N 2 2 311.470 1.549 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163275003 868296822 /nfs/dbraw/zinc/29/68/22/868296822.db2.gz MSVMCJPTUSBENO-MRXNPFEDSA-N 2 2 311.470 1.549 20 30 DDEDLP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322711246 868340121 /nfs/dbraw/zinc/34/01/21/868340121.db2.gz RXYSURKKJAQSFF-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP C[NH+](C)C1(CNc2cc(C#N)nc(C3CC3)n2)CC[NH+](C)CC1 ZINC001164211294 869019263 /nfs/dbraw/zinc/01/92/63/869019263.db2.gz OUKBYZWHHVRZCR-UHFFFAOYSA-N 2 2 314.437 1.664 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636637 869665504 /nfs/dbraw/zinc/66/55/04/869665504.db2.gz DNHSFYFZDBKWDU-MRXNPFEDSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138124 870339920 /nfs/dbraw/zinc/33/99/20/870339920.db2.gz ASKIGFOFPFBPAK-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138124 870339932 /nfs/dbraw/zinc/33/99/32/870339932.db2.gz ASKIGFOFPFBPAK-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138124 870339944 /nfs/dbraw/zinc/33/99/44/870339944.db2.gz ASKIGFOFPFBPAK-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138124 870339957 /nfs/dbraw/zinc/33/99/57/870339957.db2.gz ASKIGFOFPFBPAK-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327694 870650521 /nfs/dbraw/zinc/65/05/21/870650521.db2.gz WVKQMOAIALWTKA-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327430 870650552 /nfs/dbraw/zinc/65/05/52/870650552.db2.gz VMPOPNMCKYYFEI-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679778 870708252 /nfs/dbraw/zinc/70/82/52/870708252.db2.gz ZLBOQXNHOQXZLD-GJZGRUSLSA-N 2 2 302.422 1.556 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317379570 870741373 /nfs/dbraw/zinc/74/13/73/870741373.db2.gz YCFWICYBWWOVRQ-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317379570 870741381 /nfs/dbraw/zinc/74/13/81/870741381.db2.gz YCFWICYBWWOVRQ-OAHLLOKOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814551 870774132 /nfs/dbraw/zinc/77/41/32/870774132.db2.gz KSUIOLVUPFNJIC-CABCVRRESA-N 2 2 300.406 1.314 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556074 871627940 /nfs/dbraw/zinc/62/79/40/871627940.db2.gz JRMNUHSUUYQTBI-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905861 872743999 /nfs/dbraw/zinc/74/39/99/872743999.db2.gz QNSDAVJIGAKWFX-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207106532 873019562 /nfs/dbraw/zinc/01/95/62/873019562.db2.gz MQOXXFAUTXXZIW-UHFFFAOYSA-N 2 2 317.481 1.746 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451031 874153534 /nfs/dbraw/zinc/15/35/34/874153534.db2.gz PTZFZFIOQXDTPE-HUUCEWRRSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451031 874153536 /nfs/dbraw/zinc/15/35/36/874153536.db2.gz PTZFZFIOQXDTPE-HUUCEWRRSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210645888 875470629 /nfs/dbraw/zinc/47/06/29/875470629.db2.gz VSKZFPHAJNVZAG-OAHLLOKOSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001378921493 875916612 /nfs/dbraw/zinc/91/66/12/875916612.db2.gz LFTXLGLBTVNEPG-GXTWGEPZSA-N 2 2 310.829 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213559661 875980343 /nfs/dbraw/zinc/98/03/43/875980343.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213559661 875980353 /nfs/dbraw/zinc/98/03/53/875980353.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213559661 875980356 /nfs/dbraw/zinc/98/03/56/875980356.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213559661 875980371 /nfs/dbraw/zinc/98/03/71/875980371.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 2 320.437 1.370 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214947896 876515842 /nfs/dbraw/zinc/51/58/42/876515842.db2.gz IAHPYVFVCXBJEA-UKRRQHHQSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008441 876539110 /nfs/dbraw/zinc/53/91/10/876539110.db2.gz OLZFCZRDOGQZQZ-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855739 876817265 /nfs/dbraw/zinc/81/72/65/876817265.db2.gz XAIBAYBBYRONCL-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855739 876817271 /nfs/dbraw/zinc/81/72/71/876817271.db2.gz XAIBAYBBYRONCL-SQWLQELKSA-N 2 2 320.437 1.227 20 30 DDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#C[C@H]1CCCCO1 ZINC001353375378 877286217 /nfs/dbraw/zinc/28/62/17/877286217.db2.gz DRHPGTBMHJBKBJ-RTBURBONSA-N 2 2 316.445 1.641 20 30 DDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#C[C@H]1CCCCO1 ZINC001353375378 877286229 /nfs/dbraw/zinc/28/62/29/877286229.db2.gz DRHPGTBMHJBKBJ-RTBURBONSA-N 2 2 316.445 1.641 20 30 DDEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219457009 878239923 /nfs/dbraw/zinc/23/99/23/878239923.db2.gz VXKBVWMJBAWOHY-ZFWWWQNUSA-N 2 2 323.343 1.352 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551285 878323676 /nfs/dbraw/zinc/32/36/76/878323676.db2.gz WMCDBKGHGIJACZ-CABCVRRESA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551285 878323690 /nfs/dbraw/zinc/32/36/90/878323690.db2.gz WMCDBKGHGIJACZ-CABCVRRESA-N 2 2 320.437 1.250 20 30 DDEDLP C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001220054451 878678105 /nfs/dbraw/zinc/67/81/05/878678105.db2.gz CKMNBHQGTRZCET-INIZCTEOSA-N 2 2 300.406 1.248 20 30 DDEDLP C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001220054451 878678113 /nfs/dbraw/zinc/67/81/13/878678113.db2.gz CKMNBHQGTRZCET-INIZCTEOSA-N 2 2 300.406 1.248 20 30 DDEDLP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001220185846 878796456 /nfs/dbraw/zinc/79/64/56/878796456.db2.gz JSPSAUYSXOZFIH-ZIAGYGMSSA-N 2 2 322.359 1.309 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636481 879981017 /nfs/dbraw/zinc/98/10/17/879981017.db2.gz QVIILNJJDANKOF-BRWVUGGUSA-N 2 2 314.433 1.636 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221636481 879981022 /nfs/dbraw/zinc/98/10/22/879981022.db2.gz QVIILNJJDANKOF-BRWVUGGUSA-N 2 2 314.433 1.636 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228852340 883700173 /nfs/dbraw/zinc/70/01/73/883700173.db2.gz IRARZWKXXVIARF-BZUAXINKSA-N 2 2 302.422 1.875 20 30 DDEDLP C=C(Br)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992704 883759216 /nfs/dbraw/zinc/75/92/16/883759216.db2.gz VNPZUZFWQFEBPO-UHFFFAOYSA-N 2 2 318.259 1.427 20 30 DDEDLP CCC[N@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230618605 884656744 /nfs/dbraw/zinc/65/67/44/884656744.db2.gz PWTDEUDMGUXQKB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC#N)CC1 ZINC001230618605 884656748 /nfs/dbraw/zinc/65/67/48/884656748.db2.gz PWTDEUDMGUXQKB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230618605 884656755 /nfs/dbraw/zinc/65/67/55/884656755.db2.gz PWTDEUDMGUXQKB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230618605 884656758 /nfs/dbraw/zinc/65/67/58/884656758.db2.gz PWTDEUDMGUXQKB-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001363839855 887363480 /nfs/dbraw/zinc/36/34/80/887363480.db2.gz IYPMCHVAQFEOJK-QAPCUYQASA-N 2 2 315.417 1.829 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001363839855 887363490 /nfs/dbraw/zinc/36/34/90/887363490.db2.gz IYPMCHVAQFEOJK-QAPCUYQASA-N 2 2 315.417 1.829 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363839855 887363503 /nfs/dbraw/zinc/36/35/03/887363503.db2.gz IYPMCHVAQFEOJK-QAPCUYQASA-N 2 2 315.417 1.829 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363839855 887363510 /nfs/dbraw/zinc/36/35/10/887363510.db2.gz IYPMCHVAQFEOJK-QAPCUYQASA-N 2 2 315.417 1.829 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277883322 888190980 /nfs/dbraw/zinc/19/09/80/888190980.db2.gz FVGBTKSHFJHIFD-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001277913259 888285059 /nfs/dbraw/zinc/28/50/59/888285059.db2.gz DTNDHAQZKDMWGS-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001277913259 888285078 /nfs/dbraw/zinc/28/50/78/888285078.db2.gz DTNDHAQZKDMWGS-WBVHZDCISA-N 2 2 323.481 1.642 20 30 DDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235467780 888662953 /nfs/dbraw/zinc/66/29/53/888662953.db2.gz RRDYVTOGCBRUTE-MAUKXSAKSA-N 2 2 321.465 1.744 20 30 DDEDLP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235467780 888662958 /nfs/dbraw/zinc/66/29/58/888662958.db2.gz RRDYVTOGCBRUTE-MAUKXSAKSA-N 2 2 321.465 1.744 20 30 DDEDLP COc1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)ccc1C#N ZINC001278285639 890385022 /nfs/dbraw/zinc/38/50/22/890385022.db2.gz GFOOFMIQDCNDTA-UHFFFAOYSA-N 2 2 314.433 1.389 20 30 DDEDLP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CC[NH2+]1 ZINC001246888983 892970735 /nfs/dbraw/zinc/97/07/35/892970735.db2.gz YUZJTZKKDCPMJS-YQQAZPJKSA-N 2 2 302.397 1.725 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252469200 895183396 /nfs/dbraw/zinc/18/33/96/895183396.db2.gz WXXDPEGCKHFQHQ-IAGOWNOFSA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001252469200 895183405 /nfs/dbraw/zinc/18/34/05/895183405.db2.gz WXXDPEGCKHFQHQ-IAGOWNOFSA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001252594781 895296150 /nfs/dbraw/zinc/29/61/50/895296150.db2.gz BLKSMHQQGPIHJL-KURKYZTESA-N 2 2 301.434 1.772 20 30 DDEDLP O=C1C=C2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CCC2S1 ZINC001256690001 897544547 /nfs/dbraw/zinc/54/45/47/897544547.db2.gz DZSYRLVZLZBAHP-GPANFISMSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CCC2S1 ZINC001256690001 897544553 /nfs/dbraw/zinc/54/45/53/897544553.db2.gz DZSYRLVZLZBAHP-GPANFISMSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@@H]2S1 ZINC001256690001 897544560 /nfs/dbraw/zinc/54/45/60/897544560.db2.gz DZSYRLVZLZBAHP-GPANFISMSA-N 2 2 322.474 1.904 20 30 DDEDLP O=C1C=C2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@@H]2S1 ZINC001256690001 897544568 /nfs/dbraw/zinc/54/45/68/897544568.db2.gz DZSYRLVZLZBAHP-GPANFISMSA-N 2 2 322.474 1.904 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006884 897799468 /nfs/dbraw/zinc/79/94/68/897799468.db2.gz RZGULNHXUJNGOE-HOTGVXAUSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001279096573 898181442 /nfs/dbraw/zinc/18/14/42/898181442.db2.gz AKJBCPUUXMJHMD-LSDHHAIUSA-N 2 2 302.422 1.684 20 30 DDEDLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)ccc1F ZINC001390547618 899651768 /nfs/dbraw/zinc/65/17/68/899651768.db2.gz VJYGSAJYKGXWSQ-GFCCVEGCSA-N 2 2 315.352 1.188 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264486851 901145379 /nfs/dbraw/zinc/14/53/79/901145379.db2.gz IXZALMRIIFRWOQ-LSDHHAIUSA-N 2 2 304.438 1.803 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265359633 901921349 /nfs/dbraw/zinc/92/13/49/901921349.db2.gz ALEZJKYCKTYKCN-WBVHZDCISA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265653960 902260649 /nfs/dbraw/zinc/26/06/49/902260649.db2.gz KVEYAVNALNOFJR-HZPDHXFCSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265653960 902260660 /nfs/dbraw/zinc/26/06/60/902260660.db2.gz KVEYAVNALNOFJR-HZPDHXFCSA-N 2 2 302.422 1.828 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001392576000 904511344 /nfs/dbraw/zinc/51/13/44/904511344.db2.gz PEXZSRINHBGROC-APHBMKBZSA-N 2 2 323.400 1.679 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001392576000 904511352 /nfs/dbraw/zinc/51/13/52/904511352.db2.gz PEXZSRINHBGROC-APHBMKBZSA-N 2 2 323.400 1.679 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611633 904962002 /nfs/dbraw/zinc/96/20/02/904962002.db2.gz VTWZSVLQFNMEME-ROUUACIJSA-N 2 2 313.445 1.845 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611633 904962019 /nfs/dbraw/zinc/96/20/19/904962019.db2.gz VTWZSVLQFNMEME-ROUUACIJSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001281845183 905262284 /nfs/dbraw/zinc/26/22/84/905262284.db2.gz REODXRGBRBCYGU-UHFFFAOYSA-N 2 2 316.449 1.844 20 30 DDEDLP CC#CC[N@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001281845183 905262301 /nfs/dbraw/zinc/26/23/01/905262301.db2.gz REODXRGBRBCYGU-UHFFFAOYSA-N 2 2 316.449 1.844 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CC#Cc1ccccc1 ZINC001282433045 905781760 /nfs/dbraw/zinc/78/17/60/905781760.db2.gz LEVYMYUPZZDQSF-KRWDZBQOSA-N 2 2 324.428 1.761 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CC#Cc1ccccc1 ZINC001282433045 905781771 /nfs/dbraw/zinc/78/17/71/905781771.db2.gz LEVYMYUPZZDQSF-KRWDZBQOSA-N 2 2 324.428 1.761 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001283079161 906587232 /nfs/dbraw/zinc/58/72/32/906587232.db2.gz FQGNHCRSOXCCPT-KBUPBQIOSA-N 2 2 302.422 1.584 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283202769 906876616 /nfs/dbraw/zinc/87/66/16/906876616.db2.gz LNFUGFCMAYNRPX-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001284045140 908377199 /nfs/dbraw/zinc/37/71/99/908377199.db2.gz MVAURLXAFNLDLX-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001284045140 908377204 /nfs/dbraw/zinc/37/72/04/908377204.db2.gz MVAURLXAFNLDLX-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001284045140 908377221 /nfs/dbraw/zinc/37/72/21/908377221.db2.gz MVAURLXAFNLDLX-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001284045140 908377230 /nfs/dbraw/zinc/37/72/30/908377230.db2.gz MVAURLXAFNLDLX-JFIYKMOQSA-N 2 2 321.465 1.396 20 30 DDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001284685925 909354525 /nfs/dbraw/zinc/35/45/25/909354525.db2.gz DZMRUXLZFRPRTG-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000092806117 185342637 /nfs/dbraw/zinc/34/26/37/185342637.db2.gz LDDUIFIJBKBJSS-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000092806117 185342638 /nfs/dbraw/zinc/34/26/38/185342638.db2.gz LDDUIFIJBKBJSS-CABCVRRESA-N 2 2 303.410 1.528 20 30 DDEDLP C[NH+]1CCC(C)(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330276338 530048054 /nfs/dbraw/zinc/04/80/54/530048054.db2.gz MTFVYQIXFSMTRQ-ZDUSSCGKSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330276338 530048055 /nfs/dbraw/zinc/04/80/55/530048055.db2.gz MTFVYQIXFSMTRQ-ZDUSSCGKSA-N 2 2 305.426 1.433 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320909521 354529970 /nfs/dbraw/zinc/52/99/70/354529970.db2.gz UWXRAMSMCOIKFB-BPQIPLTHSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000320909521 354529972 /nfs/dbraw/zinc/52/99/72/354529972.db2.gz UWXRAMSMCOIKFB-BPQIPLTHSA-N 2 2 315.417 1.514 20 30 DDEDLP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593718875 355975549 /nfs/dbraw/zinc/97/55/49/355975549.db2.gz ADVXNOZHRURKMG-ZDUSSCGKSA-N 2 2 300.406 1.376 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594435172 356212878 /nfs/dbraw/zinc/21/28/78/356212878.db2.gz BTNOECBWOUCVSJ-DLBZAZTESA-N 2 2 314.433 1.913 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594435172 356212881 /nfs/dbraw/zinc/21/28/81/356212881.db2.gz BTNOECBWOUCVSJ-DLBZAZTESA-N 2 2 314.433 1.913 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000599020173 357796595 /nfs/dbraw/zinc/79/65/95/357796595.db2.gz ZPGSFNPXSUDMNE-SFHVURJKSA-N 2 2 314.433 1.183 20 30 DDEDLP N#Cc1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000599020173 357796601 /nfs/dbraw/zinc/79/66/01/357796601.db2.gz ZPGSFNPXSUDMNE-SFHVURJKSA-N 2 2 314.433 1.183 20 30 DDEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977227 359335986 /nfs/dbraw/zinc/33/59/86/359335986.db2.gz ZGFWVVLGBCHSEU-XJKSGUPXSA-N 2 2 304.438 1.353 20 30 DDEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602977227 359335993 /nfs/dbraw/zinc/33/59/93/359335993.db2.gz ZGFWVVLGBCHSEU-XJKSGUPXSA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000329924358 223048258 /nfs/dbraw/zinc/04/82/58/223048258.db2.gz UYFRBUMAZADKHL-HUUCEWRRSA-N 2 2 319.453 1.681 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000106260372 194192942 /nfs/dbraw/zinc/19/29/42/194192942.db2.gz BVNYFYXQVHNWDH-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054982 304392521 /nfs/dbraw/zinc/39/25/21/304392521.db2.gz IAKCHJHOQYAHSW-GJZGRUSLSA-N 2 2 309.373 1.308 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000570054982 304392523 /nfs/dbraw/zinc/39/25/23/304392523.db2.gz IAKCHJHOQYAHSW-GJZGRUSLSA-N 2 2 309.373 1.308 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266205106 407533703 /nfs/dbraw/zinc/53/37/03/407533703.db2.gz MQSOGQMVZQHBDR-OAHLLOKOSA-N 2 2 304.394 1.184 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266205106 407533707 /nfs/dbraw/zinc/53/37/07/407533707.db2.gz MQSOGQMVZQHBDR-OAHLLOKOSA-N 2 2 304.394 1.184 20 30 DDEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NCc1c(C)noc1C ZINC000179031482 407699263 /nfs/dbraw/zinc/69/92/63/407699263.db2.gz MXVLELOGIXEKOI-UHFFFAOYSA-N 2 2 323.441 1.067 20 30 DDEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NCc1c(C)noc1C ZINC000179031482 407699268 /nfs/dbraw/zinc/69/92/68/407699268.db2.gz MXVLELOGIXEKOI-UHFFFAOYSA-N 2 2 323.441 1.067 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000267164834 407773124 /nfs/dbraw/zinc/77/31/24/407773124.db2.gz GPISOLAGECHFIW-UHFFFAOYSA-N 2 2 306.435 1.262 20 30 DDEDLP C#CCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000179904719 407843586 /nfs/dbraw/zinc/84/35/86/407843586.db2.gz JXHUTPPJZNJKEP-UHFFFAOYSA-N 2 2 305.466 1.855 20 30 DDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[NH+](C)C)CC1=O ZINC000119252029 408024383 /nfs/dbraw/zinc/02/43/83/408024383.db2.gz SKPDQPUGIQJMFU-UHFFFAOYSA-N 2 2 313.405 1.208 20 30 DDEDLP CCOCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000181626664 408021283 /nfs/dbraw/zinc/02/12/83/408021283.db2.gz MDVKCQOWLPGHKK-UHFFFAOYSA-N 2 2 321.421 1.317 20 30 DDEDLP CN(C)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182187142 408087321 /nfs/dbraw/zinc/08/73/21/408087321.db2.gz YANLKQPYNZKAFI-UHFFFAOYSA-N 2 2 300.406 1.200 20 30 DDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000316547948 409854595 /nfs/dbraw/zinc/85/45/95/409854595.db2.gz DAOSORCKRYLXLA-UHFFFAOYSA-N 2 2 321.446 1.407 20 30 DDEDLP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339194408 410067445 /nfs/dbraw/zinc/06/74/45/410067445.db2.gz NCEPHACQLKTQQE-NVXWUHKLSA-N 2 2 309.454 1.738 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355329938 410449460 /nfs/dbraw/zinc/44/94/60/410449460.db2.gz YNYTXWXPSLPRBV-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355329938 410449468 /nfs/dbraw/zinc/44/94/68/410449468.db2.gz YNYTXWXPSLPRBV-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330276884 410609026 /nfs/dbraw/zinc/60/90/26/410609026.db2.gz NNZKZWLKAFCTLT-RRFJBIMHSA-N 2 2 317.437 1.671 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330276884 410609034 /nfs/dbraw/zinc/60/90/34/410609034.db2.gz NNZKZWLKAFCTLT-RRFJBIMHSA-N 2 2 317.437 1.671 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373914136 418472295 /nfs/dbraw/zinc/47/22/95/418472295.db2.gz UPPNFRBFNFDIJF-ZDUSSCGKSA-N 2 2 316.405 1.358 20 30 DDEDLP Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373914136 418472299 /nfs/dbraw/zinc/47/22/99/418472299.db2.gz UPPNFRBFNFDIJF-ZDUSSCGKSA-N 2 2 316.405 1.358 20 30 DDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000374695673 418557129 /nfs/dbraw/zinc/55/71/29/418557129.db2.gz UPEHFFNAHGYRTB-UHFFFAOYSA-N 2 2 316.405 1.581 20 30 DDEDLP CN(C(=O)NCCCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364278986 418774350 /nfs/dbraw/zinc/77/43/50/418774350.db2.gz LLKGGESYBNNEBE-MRXNPFEDSA-N 2 2 321.469 1.490 20 30 DDEDLP CN(C(=O)NCCCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364278986 418774351 /nfs/dbraw/zinc/77/43/51/418774351.db2.gz LLKGGESYBNNEBE-MRXNPFEDSA-N 2 2 321.469 1.490 20 30 DDEDLP Cc1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1C#N ZINC000364278836 418774842 /nfs/dbraw/zinc/77/48/42/418774842.db2.gz FDSUKIAQFVFSET-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1C#N ZINC000364278836 418774845 /nfs/dbraw/zinc/77/48/45/418774845.db2.gz FDSUKIAQFVFSET-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429009255 419961821 /nfs/dbraw/zinc/96/18/21/419961821.db2.gz NVNLKNWSSYRZQW-HYVNUMGLSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429009255 419961823 /nfs/dbraw/zinc/96/18/23/419961823.db2.gz NVNLKNWSSYRZQW-HYVNUMGLSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429009255 419961828 /nfs/dbraw/zinc/96/18/28/419961828.db2.gz NVNLKNWSSYRZQW-HYVNUMGLSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429009255 419961832 /nfs/dbraw/zinc/96/18/32/419961832.db2.gz NVNLKNWSSYRZQW-HYVNUMGLSA-N 2 2 306.454 1.457 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450217441 421164544 /nfs/dbraw/zinc/16/45/44/421164544.db2.gz PYCZARBGOVSTIL-QGZVFWFLSA-N 2 2 322.497 1.169 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450217441 421164546 /nfs/dbraw/zinc/16/45/46/421164546.db2.gz PYCZARBGOVSTIL-QGZVFWFLSA-N 2 2 322.497 1.169 20 30 DDEDLP CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000560975113 421300813 /nfs/dbraw/zinc/30/08/13/421300813.db2.gz JNYTZGKEHDDRBF-CYBMUJFWSA-N 2 2 317.393 1.064 20 30 DDEDLP CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000560975113 421300816 /nfs/dbraw/zinc/30/08/16/421300816.db2.gz JNYTZGKEHDDRBF-CYBMUJFWSA-N 2 2 317.393 1.064 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000530230933 421587827 /nfs/dbraw/zinc/58/78/27/421587827.db2.gz DUHCPGBGFYZWSS-KBRIMQKVSA-N 2 2 315.417 1.370 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000530230933 421587831 /nfs/dbraw/zinc/58/78/31/421587831.db2.gz DUHCPGBGFYZWSS-KBRIMQKVSA-N 2 2 315.417 1.370 20 30 DDEDLP CCn1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573699529 422004429 /nfs/dbraw/zinc/00/44/29/422004429.db2.gz RHEAPBWXOHOCGZ-KRWDZBQOSA-N 2 2 323.400 1.665 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194890 422318554 /nfs/dbraw/zinc/31/85/54/422318554.db2.gz XJDJOCDAZCECIM-CABCVRRESA-N 2 2 316.405 1.363 20 30 DDEDLP C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000662254048 424510187 /nfs/dbraw/zinc/51/01/87/424510187.db2.gz YXAYXMVUPPRISV-INIZCTEOSA-N 2 2 320.458 1.507 20 30 DDEDLP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000662254048 424510194 /nfs/dbraw/zinc/51/01/94/424510194.db2.gz YXAYXMVUPPRISV-INIZCTEOSA-N 2 2 320.458 1.507 20 30 DDEDLP C=CC[C@H](CO)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000340742084 334383711 /nfs/dbraw/zinc/38/37/11/334383711.db2.gz JZYULFZANXUOKI-LBPRGKRZSA-N 2 2 310.361 1.807 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000081060590 341279050 /nfs/dbraw/zinc/27/90/50/341279050.db2.gz ZAWSOADOKHSKQV-UHFFFAOYSA-N 2 2 306.454 1.601 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000081060590 341279051 /nfs/dbraw/zinc/27/90/51/341279051.db2.gz ZAWSOADOKHSKQV-UHFFFAOYSA-N 2 2 306.454 1.601 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000081647795 500571412 /nfs/dbraw/zinc/57/14/12/500571412.db2.gz KHEOIIJJOUXHBD-SFHVURJKSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000081647795 500571413 /nfs/dbraw/zinc/57/14/13/500571413.db2.gz KHEOIIJJOUXHBD-SFHVURJKSA-N 2 2 311.429 1.383 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000490800597 526949318 /nfs/dbraw/zinc/94/93/18/526949318.db2.gz VSNJPAUIGIYLRZ-CVEARBPZSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000490800597 526949320 /nfs/dbraw/zinc/94/93/20/526949320.db2.gz VSNJPAUIGIYLRZ-CVEARBPZSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000490950356 526950599 /nfs/dbraw/zinc/95/05/99/526950599.db2.gz PVKWQGIDQFXBQU-SJORKVTESA-N 2 2 313.445 1.546 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000491741485 527331516 /nfs/dbraw/zinc/33/15/16/527331516.db2.gz IORATNHPFNILCN-DLBZAZTESA-N 2 2 313.445 1.845 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000491741485 527331522 /nfs/dbraw/zinc/33/15/22/527331522.db2.gz IORATNHPFNILCN-DLBZAZTESA-N 2 2 313.445 1.845 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980234959 696715028 /nfs/dbraw/zinc/71/50/28/696715028.db2.gz YMKDDHRJHXQNDY-XHSDSOJGSA-N 2 2 314.433 1.501 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980234959 696715031 /nfs/dbraw/zinc/71/50/31/696715031.db2.gz YMKDDHRJHXQNDY-XHSDSOJGSA-N 2 2 314.433 1.501 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978363687 696370755 /nfs/dbraw/zinc/37/07/55/696370755.db2.gz QLWSTURHPPKTIN-YHUYYLMFSA-N 2 2 314.433 1.316 20 30 DDEDLP 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CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533390 743691997 /nfs/dbraw/zinc/69/19/97/743691997.db2.gz HCQWHXVJOCPJRG-AWEZNQCLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185787350 744286012 /nfs/dbraw/zinc/28/60/12/744286012.db2.gz FQJZUGVAKJVCCT-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789100 744286410 /nfs/dbraw/zinc/28/64/10/744286410.db2.gz RXIJEKDKLPJQRB-HOTGVXAUSA-N 2 2 320.437 1.160 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185750100 744286971 /nfs/dbraw/zinc/28/69/71/744286971.db2.gz SROXGEPYXAPVRB-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945029 744393441 /nfs/dbraw/zinc/39/34/41/744393441.db2.gz MFPGOJAFYMDJAN-CJNGLKHVSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945029 744393445 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20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001191010407 745403740 /nfs/dbraw/zinc/40/37/40/745403740.db2.gz LVAMDHUJXBIHKC-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011241 745403867 /nfs/dbraw/zinc/40/38/67/745403867.db2.gz SFHPAEIZDRGQJX-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001191011241 745403868 /nfs/dbraw/zinc/40/38/68/745403868.db2.gz SFHPAEIZDRGQJX-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001191534091 745536812 /nfs/dbraw/zinc/53/68/12/745536812.db2.gz YIFFYVTWVMPJMG-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001191534091 745536815 /nfs/dbraw/zinc/53/68/15/745536815.db2.gz YIFFYVTWVMPJMG-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191534091 745536820 /nfs/dbraw/zinc/53/68/20/745536820.db2.gz YIFFYVTWVMPJMG-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191534091 745536825 /nfs/dbraw/zinc/53/68/25/745536825.db2.gz YIFFYVTWVMPJMG-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106343717 745616876 /nfs/dbraw/zinc/61/68/76/745616876.db2.gz NHXYCCRSGXJXAB-QLFBSQMISA-N 2 2 302.422 1.316 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425384 745780144 /nfs/dbraw/zinc/78/01/44/745780144.db2.gz GIGXHVCDQXNPCV-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192425384 745780148 /nfs/dbraw/zinc/78/01/48/745780148.db2.gz GIGXHVCDQXNPCV-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001089652578 747575239 /nfs/dbraw/zinc/57/52/39/747575239.db2.gz 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/nfs/dbraw/zinc/87/43/19/761874319.db2.gz LJROLYBJKZAIQY-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237970 761874330 /nfs/dbraw/zinc/87/43/30/761874330.db2.gz LJROLYBJKZAIQY-WBVHZDCISA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240068 761877677 /nfs/dbraw/zinc/87/76/77/761877677.db2.gz SZNUNVMZDIREPH-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240068 761877689 /nfs/dbraw/zinc/87/76/89/761877689.db2.gz SZNUNVMZDIREPH-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108797948 762943668 /nfs/dbraw/zinc/94/36/68/762943668.db2.gz NRAVXAQNWURTGB-XHSDSOJGSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041419622 763016908 /nfs/dbraw/zinc/01/69/08/763016908.db2.gz WEDCCGSWZSCKMB-MAUKXSAKSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001041419622 763016914 /nfs/dbraw/zinc/01/69/14/763016914.db2.gz WEDCCGSWZSCKMB-MAUKXSAKSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077135 763099140 /nfs/dbraw/zinc/09/91/40/763099140.db2.gz OWARGRFTGQCWMS-SUMWQHHRSA-N 2 2 308.385 1.733 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077135 763099149 /nfs/dbraw/zinc/09/91/49/763099149.db2.gz OWARGRFTGQCWMS-SUMWQHHRSA-N 2 2 308.385 1.733 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107808 763148252 /nfs/dbraw/zinc/14/82/52/763148252.db2.gz ZRDYZTXYYLJFDT-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107808 763148261 /nfs/dbraw/zinc/14/82/61/763148261.db2.gz ZRDYZTXYYLJFDT-JKSUJKDBSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665512 763207511 /nfs/dbraw/zinc/20/75/11/763207511.db2.gz SXYPXIYOYDIKBT-KDOFPFPSSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001041665512 763207519 /nfs/dbraw/zinc/20/75/19/763207519.db2.gz SXYPXIYOYDIKBT-KDOFPFPSSA-N 2 2 314.433 1.940 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733450 763269212 /nfs/dbraw/zinc/26/92/12/763269212.db2.gz WNGJJNLLJGSXSY-WMLDXEAASA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001041733450 763269217 /nfs/dbraw/zinc/26/92/17/763269217.db2.gz WNGJJNLLJGSXSY-WMLDXEAASA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733450 763269220 /nfs/dbraw/zinc/26/92/20/763269220.db2.gz WNGJJNLLJGSXSY-WMLDXEAASA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041733450 763269224 /nfs/dbraw/zinc/26/92/24/763269224.db2.gz WNGJJNLLJGSXSY-WMLDXEAASA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063542 763607201 /nfs/dbraw/zinc/60/72/01/763607201.db2.gz YUPDMRDWNPLMFH-RDJZCZTQSA-N 2 2 322.412 1.812 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]21 ZINC001042063542 763607205 /nfs/dbraw/zinc/60/72/05/763607205.db2.gz YUPDMRDWNPLMFH-RDJZCZTQSA-N 2 2 322.412 1.812 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042374765 763978986 /nfs/dbraw/zinc/97/89/86/763978986.db2.gz MLWNXHVHUKAQCY-KGLIPLIRSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042374765 763978989 /nfs/dbraw/zinc/97/89/89/763978989.db2.gz MLWNXHVHUKAQCY-KGLIPLIRSA-N 2 2 308.813 1.558 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109825062 764094906 /nfs/dbraw/zinc/09/49/06/764094906.db2.gz UTSODWONVRRDNL-OJLVUWQFSA-N 2 2 302.422 1.886 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001043673696 765039989 /nfs/dbraw/zinc/03/99/89/765039989.db2.gz HUYKOKRMJAHZHG-OAHLLOKOSA-N 2 2 316.449 1.863 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001044694876 765757133 /nfs/dbraw/zinc/75/71/33/765757133.db2.gz TVBDHRGSVLARAU-KBPBESRZSA-N 2 2 310.829 1.995 20 30 DDEDLP CC[N@H+](C)CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113497301 765757305 /nfs/dbraw/zinc/75/73/05/765757305.db2.gz ONIDBKHKHYDXQZ-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP CC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001113497301 765757309 /nfs/dbraw/zinc/75/73/09/765757309.db2.gz ONIDBKHKHYDXQZ-UHFFFAOYSA-N 2 2 314.433 1.544 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994374 765798015 /nfs/dbraw/zinc/79/80/15/765798015.db2.gz BLGDCGKOKYGHLK-VRKREXBASA-N 2 2 312.417 1.574 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994374 765798023 /nfs/dbraw/zinc/79/80/23/765798023.db2.gz BLGDCGKOKYGHLK-VRKREXBASA-N 2 2 312.417 1.574 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563512 765961463 /nfs/dbraw/zinc/96/14/63/765961463.db2.gz TYZVUVUMFVLCQR-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563512 765961471 /nfs/dbraw/zinc/96/14/71/765961471.db2.gz TYZVUVUMFVLCQR-CQSZACIVSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045486260 766343689 /nfs/dbraw/zinc/34/36/89/766343689.db2.gz JPZZLGALWIAEJK-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434025 767558673 /nfs/dbraw/zinc/55/86/73/767558673.db2.gz JANTYWOPDYBZJS-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046434025 767558678 /nfs/dbraw/zinc/55/86/78/767558678.db2.gz JANTYWOPDYBZJS-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001130483974 767559477 /nfs/dbraw/zinc/55/94/77/767559477.db2.gz BJSISUSYIMNVPR-MRXNPFEDSA-N 2 2 323.400 1.223 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046632327 767756358 /nfs/dbraw/zinc/75/63/58/767756358.db2.gz AVBGFTSJBULDLP-CPUCHLNUSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046632327 767756364 /nfs/dbraw/zinc/75/63/64/767756364.db2.gz AVBGFTSJBULDLP-CPUCHLNUSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161594 769075184 /nfs/dbraw/zinc/07/51/84/769075184.db2.gz MROLAICUONCNIE-PBHICJAKSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161594 769075191 /nfs/dbraw/zinc/07/51/91/769075191.db2.gz MROLAICUONCNIE-PBHICJAKSA-N 2 2 318.421 1.220 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132998878 769391950 /nfs/dbraw/zinc/39/19/50/769391950.db2.gz SXMSRPBKAOGKKH-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194749 769579082 /nfs/dbraw/zinc/57/90/82/769579082.db2.gz JXHXRKJXYISMFX-CABCVRRESA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133353986 769736040 /nfs/dbraw/zinc/73/60/40/769736040.db2.gz KLBGSHVVWNUNNR-HOTGVXAUSA-N 2 2 304.438 1.924 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899965 770080273 /nfs/dbraw/zinc/08/02/73/770080273.db2.gz SWINNNNYLSSEHV-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048899965 770080286 /nfs/dbraw/zinc/08/02/86/770080286.db2.gz SWINNNNYLSSEHV-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402084 770988314 /nfs/dbraw/zinc/98/83/14/770988314.db2.gz ANXAHZORWWYPAK-HUUCEWRRSA-N 2 2 316.449 1.658 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777685 774590793 /nfs/dbraw/zinc/59/07/93/774590793.db2.gz GMGJSHLXUCYUAD-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036777685 774590798 /nfs/dbraw/zinc/59/07/98/774590798.db2.gz GMGJSHLXUCYUAD-HZPDHXFCSA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111463138 774738236 /nfs/dbraw/zinc/73/82/36/774738236.db2.gz AFAPQBDRBKMXJP-ZJPYXAASSA-N 2 2 311.429 1.644 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111463138 774738241 /nfs/dbraw/zinc/73/82/41/774738241.db2.gz AFAPQBDRBKMXJP-ZJPYXAASSA-N 2 2 311.429 1.644 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001093542269 774815427 /nfs/dbraw/zinc/81/54/27/774815427.db2.gz RKBLRHQGEHNEBN-KRWDZBQOSA-N 2 2 321.465 1.204 20 30 DDEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001093546475 774822644 /nfs/dbraw/zinc/82/26/44/774822644.db2.gz MPDRERWRQJAIRY-QGZVFWFLSA-N 2 2 321.465 1.042 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099163822 774874494 /nfs/dbraw/zinc/87/44/94/774874494.db2.gz QZZXXRIOQZXPLI-HOCLYGCPSA-N 2 2 311.857 1.805 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099163822 774874505 /nfs/dbraw/zinc/87/45/05/774874505.db2.gz QZZXXRIOQZXPLI-HOCLYGCPSA-N 2 2 311.857 1.805 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882000 775948579 /nfs/dbraw/zinc/94/85/79/775948579.db2.gz FDJUMBCRYRZCQP-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882000 775948588 /nfs/dbraw/zinc/94/85/88/775948588.db2.gz FDJUMBCRYRZCQP-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528448 776275828 /nfs/dbraw/zinc/27/58/28/776275828.db2.gz BYLYDMXVRBXYCK-UHFFFAOYSA-N 2 2 304.438 1.803 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577743 776351922 /nfs/dbraw/zinc/35/19/22/776351922.db2.gz WEBSBLCSVLPORX-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101061667 776870520 /nfs/dbraw/zinc/87/05/20/776870520.db2.gz IXYQDJAXIFOVBU-UHFFFAOYSA-N 2 2 310.829 1.900 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001094966120 776918967 /nfs/dbraw/zinc/91/89/67/776918967.db2.gz QRFVEAGTCKNSFI-ZNMIVQPWSA-N 2 2 302.422 1.508 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540542 778193755 /nfs/dbraw/zinc/19/37/55/778193755.db2.gz PWPGMRGJGUNHCM-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540542 778193758 /nfs/dbraw/zinc/19/37/58/778193758.db2.gz PWPGMRGJGUNHCM-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177130571 778447771 /nfs/dbraw/zinc/44/77/71/778447771.db2.gz CRINJCNKMWYRAT-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177130571 778447774 /nfs/dbraw/zinc/44/77/74/778447774.db2.gz CRINJCNKMWYRAT-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106977 778643506 /nfs/dbraw/zinc/64/35/06/778643506.db2.gz PLWWDQCTDPXBSR-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106977 778643507 /nfs/dbraw/zinc/64/35/07/778643507.db2.gz PLWWDQCTDPXBSR-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106977 778643508 /nfs/dbraw/zinc/64/35/08/778643508.db2.gz PLWWDQCTDPXBSR-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106977 778643509 /nfs/dbraw/zinc/64/35/09/778643509.db2.gz PLWWDQCTDPXBSR-KLHDSHLOSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115602538 780262353 /nfs/dbraw/zinc/26/23/53/780262353.db2.gz BUPBNMLUCBIQRF-HNNXBMFYSA-N 2 2 314.433 1.487 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725213 780379003 /nfs/dbraw/zinc/37/90/03/780379003.db2.gz PVSWQEWWPPNNFT-AWEZNQCLSA-N 2 2 314.433 1.872 20 30 DDEDLP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001279421952 836390133 /nfs/dbraw/zinc/39/01/33/836390133.db2.gz ASWBWCFIIZIWJP-HNNXBMFYSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047345 837248564 /nfs/dbraw/zinc/24/85/64/837248564.db2.gz KCPCFCDXYGMIES-CABCVRRESA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586068 838370361 /nfs/dbraw/zinc/37/03/61/838370361.db2.gz JIVYWRXKHQIISA-JKSUJKDBSA-N 2 2 314.433 1.249 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586068 838370370 /nfs/dbraw/zinc/37/03/70/838370370.db2.gz JIVYWRXKHQIISA-JKSUJKDBSA-N 2 2 314.433 1.249 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267657723 838596689 /nfs/dbraw/zinc/59/66/89/838596689.db2.gz CVAHVHDOGIHIFQ-CQSZACIVSA-N 2 2 310.401 1.980 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267657723 838596692 /nfs/dbraw/zinc/59/66/92/838596692.db2.gz CVAHVHDOGIHIFQ-CQSZACIVSA-N 2 2 310.401 1.980 20 30 DDEDLP C#CCC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001268211217 839843491 /nfs/dbraw/zinc/84/34/91/839843491.db2.gz BTBZSVWEEUIIGV-INIZCTEOSA-N 2 2 316.449 1.516 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270370544 842523029 /nfs/dbraw/zinc/52/30/29/842523029.db2.gz YAWUQCUMDBKAAZ-INIZCTEOSA-N 2 2 316.449 1.855 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001326642800 861503584 /nfs/dbraw/zinc/50/35/84/861503584.db2.gz HITHJVACYLMSLZ-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001326642800 861503587 /nfs/dbraw/zinc/50/35/87/861503587.db2.gz HITHJVACYLMSLZ-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001326642800 861503595 /nfs/dbraw/zinc/50/35/95/861503595.db2.gz HITHJVACYLMSLZ-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001326642800 861503605 /nfs/dbraw/zinc/50/36/05/861503605.db2.gz HITHJVACYLMSLZ-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001272288447 846004390 /nfs/dbraw/zinc/00/43/90/846004390.db2.gz CGCRAVUUTINMCN-CABCVRRESA-N 2 2 302.422 1.251 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632178 861766112 /nfs/dbraw/zinc/76/61/12/861766112.db2.gz PLGCPQLLXJYKDN-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632178 861766117 /nfs/dbraw/zinc/76/61/17/861766117.db2.gz PLGCPQLLXJYKDN-CQSZACIVSA-N 2 2 306.410 1.126 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001005518474 848068940 /nfs/dbraw/zinc/06/89/40/848068940.db2.gz LQHNZDNXROBNFI-RDTXFTJFSA-N 2 2 323.868 1.759 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001005518474 848068944 /nfs/dbraw/zinc/06/89/44/848068944.db2.gz LQHNZDNXROBNFI-RDTXFTJFSA-N 2 2 323.868 1.759 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001273277914 849326258 /nfs/dbraw/zinc/32/62/58/849326258.db2.gz ZVRDNSFJEWZJEZ-HNNXBMFYSA-N 2 2 320.437 1.320 20 30 DDEDLP N#Cc1c[nH]c2cc[nH+]c(NCc3nnc4n3CCC[NH2+]C4)c12 ZINC001155430349 862079349 /nfs/dbraw/zinc/07/93/49/862079349.db2.gz XXCKLGKFCDYARF-UHFFFAOYSA-N 2 2 308.349 1.131 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371964 862198936 /nfs/dbraw/zinc/19/89/36/862198936.db2.gz NNGXDJVWGLHMEU-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371964 862198942 /nfs/dbraw/zinc/19/89/42/862198942.db2.gz NNGXDJVWGLHMEU-ZBFHGGJFSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273906456 851490113 /nfs/dbraw/zinc/49/01/13/851490113.db2.gz GCQRXGHKJMAKMH-QGZVFWFLSA-N 2 2 316.405 1.554 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001273906456 851490117 /nfs/dbraw/zinc/49/01/17/851490117.db2.gz GCQRXGHKJMAKMH-QGZVFWFLSA-N 2 2 316.405 1.554 20 30 DDEDLP N#CCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274041037 851880682 /nfs/dbraw/zinc/88/06/82/851880682.db2.gz ZNGXXICVHHFFTA-MRXNPFEDSA-N 2 2 301.394 1.111 20 30 DDEDLP N#CCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274041037 851880689 /nfs/dbraw/zinc/88/06/89/851880689.db2.gz ZNGXXICVHHFFTA-MRXNPFEDSA-N 2 2 301.394 1.111 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824988 862482399 /nfs/dbraw/zinc/48/23/99/862482399.db2.gz PNRBQGZOBGLILH-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824988 862482406 /nfs/dbraw/zinc/48/24/06/862482406.db2.gz PNRBQGZOBGLILH-INIZCTEOSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001328467128 862990182 /nfs/dbraw/zinc/99/01/82/862990182.db2.gz AOBWCJUREWDMIO-KRWDZBQOSA-N 2 2 310.401 1.785 20 30 DDEDLP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001328467128 862990190 /nfs/dbraw/zinc/99/01/90/862990190.db2.gz AOBWCJUREWDMIO-KRWDZBQOSA-N 2 2 310.401 1.785 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001276388365 858365668 /nfs/dbraw/zinc/36/56/68/858365668.db2.gz HDHIFHOTQZOVEF-DOTOQJQBSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001202932641 860392103 /nfs/dbraw/zinc/39/21/03/860392103.db2.gz RWPGVUBLZIRYEE-UHFFFAOYSA-N 2 2 324.428 1.789 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014444 860595913 /nfs/dbraw/zinc/59/59/13/860595913.db2.gz PWYDLWYGAJQYSD-HUUCEWRRSA-N 2 2 300.406 1.383 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014444 860595919 /nfs/dbraw/zinc/59/59/19/860595919.db2.gz PWYDLWYGAJQYSD-HUUCEWRRSA-N 2 2 300.406 1.383 20 30 DDEDLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC#Cc1ccccc1 ZINC001153344938 863838988 /nfs/dbraw/zinc/83/89/88/863838988.db2.gz MJDYPMDQARMNQY-UHFFFAOYSA-N 2 2 310.401 1.421 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158148295 864457549 /nfs/dbraw/zinc/45/75/49/864457549.db2.gz LUAVVMMPOIFQAX-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158148295 864457551 /nfs/dbraw/zinc/45/75/51/864457551.db2.gz LUAVVMMPOIFQAX-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158171944 864469317 /nfs/dbraw/zinc/46/93/17/864469317.db2.gz PZTSLBIWHZGAEP-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001158171944 864469327 /nfs/dbraw/zinc/46/93/27/864469327.db2.gz PZTSLBIWHZGAEP-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP N#Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1Cl ZINC001158259402 864523170 /nfs/dbraw/zinc/52/31/70/864523170.db2.gz ROLRITYCSYRVFV-NSHDSACASA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1Cl ZINC001158259402 864523177 /nfs/dbraw/zinc/52/31/77/864523177.db2.gz ROLRITYCSYRVFV-NSHDSACASA-N 2 2 305.813 1.608 20 30 DDEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160527764 865914737 /nfs/dbraw/zinc/91/47/37/865914737.db2.gz BBQVWJHABQKPGJ-MRXNPFEDSA-N 2 2 320.437 1.216 20 30 DDEDLP N#Cc1ccc(CC2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001160566674 865945745 /nfs/dbraw/zinc/94/57/45/865945745.db2.gz WRKREJGQFHXVHG-SJORKVTESA-N 2 2 312.417 1.029 20 30 DDEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001332827157 866171405 /nfs/dbraw/zinc/17/14/05/866171405.db2.gz SUMKUSLHMVTORO-GDBMZVCRSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001319922839 866386256 /nfs/dbraw/zinc/38/62/56/866386256.db2.gz SJUWITLQCKBLBS-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001320147544 866510729 /nfs/dbraw/zinc/51/07/29/866510729.db2.gz PYWIFENESBAWJS-ZBFHGGJFSA-N 2 2 315.417 1.531 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001325532140 868114011 /nfs/dbraw/zinc/11/40/11/868114011.db2.gz RRQVKQQIGQNNEU-GOEBONIOSA-N 2 2 315.417 1.340 20 30 DDEDLP C=CCO[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332193 868117372 /nfs/dbraw/zinc/11/73/72/868117372.db2.gz AAGGKDICBLNJBE-NVXWUHKLSA-N 2 2 321.421 1.137 20 30 DDEDLP C=CCO[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332193 868117378 /nfs/dbraw/zinc/11/73/78/868117378.db2.gz AAGGKDICBLNJBE-NVXWUHKLSA-N 2 2 321.421 1.137 20 30 DDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001381608401 882310868 /nfs/dbraw/zinc/31/08/68/882310868.db2.gz YMQJGXADLILGNH-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001381608401 882310893 /nfs/dbraw/zinc/31/08/93/882310893.db2.gz YMQJGXADLILGNH-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC001338491071 870008581 /nfs/dbraw/zinc/00/85/81/870008581.db2.gz DGGLKBWTXHHYHD-GOEBONIOSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC001338491071 870008595 /nfs/dbraw/zinc/00/85/95/870008595.db2.gz DGGLKBWTXHHYHD-GOEBONIOSA-N 2 2 303.406 1.229 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317186743 870436073 /nfs/dbraw/zinc/43/60/73/870436073.db2.gz BFHARDIKHMJJLO-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606732 870668543 /nfs/dbraw/zinc/66/85/43/870668543.db2.gz QMMFVJAOIQMZQF-HUUCEWRRSA-N 2 2 300.406 1.003 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317762520 871477016 /nfs/dbraw/zinc/47/70/16/871477016.db2.gz XKPXSKDODJWHSR-INIZCTEOSA-N 2 2 316.449 1.689 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317762520 871477018 /nfs/dbraw/zinc/47/70/18/871477018.db2.gz XKPXSKDODJWHSR-INIZCTEOSA-N 2 2 316.449 1.689 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001205762611 871791491 /nfs/dbraw/zinc/79/14/91/871791491.db2.gz KKOMYSSBPJYPIM-KRWDZBQOSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001205762611 871791501 /nfs/dbraw/zinc/79/15/01/871791501.db2.gz KKOMYSSBPJYPIM-KRWDZBQOSA-N 2 2 323.481 1.502 20 30 DDEDLP CC#CC[NH2+][C@H](CC)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001318527939 872133769 /nfs/dbraw/zinc/13/37/69/872133769.db2.gz PQGBWZGYINJTNH-CQSZACIVSA-N 2 2 302.422 1.270 20 30 DDEDLP C#CC[NH2+]C[C@]1(NC(=O)CCn2cc[nH+]c2)CCCC[C@H]1C ZINC001318745264 872243889 /nfs/dbraw/zinc/24/38/89/872243889.db2.gz MTRBKIRHXZKSOK-NVXWUHKLSA-N 2 2 302.422 1.561 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276547085 873591192 /nfs/dbraw/zinc/59/11/92/873591192.db2.gz CXOJCGUMJBRVSW-GOSISDBHSA-N 2 2 321.465 1.352 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276547085 873591203 /nfs/dbraw/zinc/59/12/03/873591203.db2.gz CXOJCGUMJBRVSW-GOSISDBHSA-N 2 2 321.465 1.352 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446948 874148208 /nfs/dbraw/zinc/14/82/08/874148208.db2.gz DNSYKXXTMMIXIS-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001381875999 882874076 /nfs/dbraw/zinc/87/40/76/882874076.db2.gz POJCQRRYBPDCSD-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001381875999 882874093 /nfs/dbraw/zinc/87/40/93/882874093.db2.gz POJCQRRYBPDCSD-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001381875999 882874108 /nfs/dbraw/zinc/87/41/08/882874108.db2.gz POJCQRRYBPDCSD-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001381875999 882874128 /nfs/dbraw/zinc/87/41/28/882874128.db2.gz POJCQRRYBPDCSD-CYBMUJFWSA-N 2 2 301.862 1.907 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001210303304 875321161 /nfs/dbraw/zinc/32/11/61/875321161.db2.gz KCTMYWRCOMAGRH-QGZVFWFLSA-N 2 2 322.412 1.585 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001379159412 876535541 /nfs/dbraw/zinc/53/55/41/876535541.db2.gz BKISPIVGSYYWLQ-ZIAGYGMSSA-N 2 2 310.829 1.900 20 30 DDEDLP N#Cc1cccc2[nH]nc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)c21 ZINC001218657092 877645283 /nfs/dbraw/zinc/64/52/83/877645283.db2.gz ZZHZRDGBOOFMPZ-ZDUSSCGKSA-N 2 2 320.356 1.645 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001356074690 878856656 /nfs/dbraw/zinc/85/66/56/878856656.db2.gz IUWMQNKDBBGXEM-GJZGRUSLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001356074690 878856661 /nfs/dbraw/zinc/85/66/61/878856661.db2.gz IUWMQNKDBBGXEM-GJZGRUSLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001356074690 878856667 /nfs/dbraw/zinc/85/66/67/878856667.db2.gz IUWMQNKDBBGXEM-GJZGRUSLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001356074690 878856678 /nfs/dbraw/zinc/85/66/78/878856678.db2.gz IUWMQNKDBBGXEM-GJZGRUSLSA-N 2 2 318.469 1.761 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223900730 881140055 /nfs/dbraw/zinc/14/00/55/881140055.db2.gz LMYCQTBPJNKUSW-UHFFFAOYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230378734 884457878 /nfs/dbraw/zinc/45/78/78/884457878.db2.gz UBLTZVWQOPNDFX-QGZVFWFLSA-N 2 2 316.449 1.841 20 30 DDEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277646670 886239212 /nfs/dbraw/zinc/23/92/12/886239212.db2.gz JMQHNZULFMGKGX-INIZCTEOSA-N 2 2 314.433 1.222 20 30 DDEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001278120245 889747227 /nfs/dbraw/zinc/74/72/27/889747227.db2.gz STBPAULDVUCVCQ-HNNXBMFYSA-N 2 2 305.422 1.653 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001252468902 895182017 /nfs/dbraw/zinc/18/20/17/895182017.db2.gz RSTRMRNIYVCKAT-KRWDZBQOSA-N 2 2 312.454 1.125 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001252468902 895182023 /nfs/dbraw/zinc/18/20/23/895182023.db2.gz RSTRMRNIYVCKAT-KRWDZBQOSA-N 2 2 312.454 1.125 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663263 896558317 /nfs/dbraw/zinc/55/83/17/896558317.db2.gz PFWMALICZRYUOS-RANZSIQMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663263 896558326 /nfs/dbraw/zinc/55/83/26/896558326.db2.gz PFWMALICZRYUOS-RANZSIQMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663263 896558334 /nfs/dbraw/zinc/55/83/34/896558334.db2.gz PFWMALICZRYUOS-RANZSIQMSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CC[C@H](C#N)C4)C[C@@H]3C2)cn1 ZINC001254663263 896558343 /nfs/dbraw/zinc/55/83/43/896558343.db2.gz PFWMALICZRYUOS-RANZSIQMSA-N 2 2 313.449 1.866 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001264395592 901084988 /nfs/dbraw/zinc/08/49/88/901084988.db2.gz ZMVGCERYKUWMCB-HRCADAONSA-N 2 2 316.449 1.896 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001265334302 901898020 /nfs/dbraw/zinc/89/80/20/901898020.db2.gz OLEKYNPBVNPAFH-INIZCTEOSA-N 2 2 316.449 1.900 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265484768 902062073 /nfs/dbraw/zinc/06/20/73/902062073.db2.gz OJDXOPVYIWAMFY-KKUMJFAQSA-N 2 2 302.422 1.649 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265593407 902174308 /nfs/dbraw/zinc/17/43/08/902174308.db2.gz WDZRFDARSVBSQV-JKSUJKDBSA-N 2 2 302.422 1.686 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265593407 902174316 /nfs/dbraw/zinc/17/43/16/902174316.db2.gz WDZRFDARSVBSQV-JKSUJKDBSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001391910050 902881824 /nfs/dbraw/zinc/88/18/24/902881824.db2.gz AGUAUBAPMQRGRE-AAEUAGOBSA-N 2 2 310.829 1.540 20 30 DDEDLP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001280353878 903604373 /nfs/dbraw/zinc/60/43/73/903604373.db2.gz CWJPBCFHKDUUAM-AWEZNQCLSA-N 2 2 310.401 1.943 20 30 DDEDLP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001282016298 905408639 /nfs/dbraw/zinc/40/86/39/905408639.db2.gz WURSVNRXKASZGL-SLTAFYQDSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001282887584 906161284 /nfs/dbraw/zinc/16/12/84/906161284.db2.gz WUFGSSISIYFLCN-QKDCVEJESA-N 2 2 302.422 1.521 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001282887584 906161293 /nfs/dbraw/zinc/16/12/93/906161293.db2.gz WUFGSSISIYFLCN-QKDCVEJESA-N 2 2 302.422 1.521 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283205158 906882687 /nfs/dbraw/zinc/88/26/87/906882687.db2.gz XHTMGUUJRHKSEK-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001284377656 908913140 /nfs/dbraw/zinc/91/31/40/908913140.db2.gz YMMUBQHPHTYVEE-JQWIXIFHSA-N 2 2 316.327 1.365 20 30 DDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001284726378 909405212 /nfs/dbraw/zinc/40/52/12/909405212.db2.gz WQCJZOIHHQOYRQ-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001394454277 909663444 /nfs/dbraw/zinc/66/34/44/909663444.db2.gz WVKIEDDPVZXKQV-CQSZACIVSA-N 2 2 310.829 1.542 20 30 DDEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(C#N)s1 ZINC001374072138 911804750 /nfs/dbraw/zinc/80/47/50/911804750.db2.gz CFZAZPDSANWWSX-NSHDSACASA-N 2 2 317.418 1.427 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000615788699 362441504 /nfs/dbraw/zinc/44/15/04/362441504.db2.gz AEKFDWKSJGNZHH-CQSZACIVSA-N 2 2 313.405 1.155 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961823 353640273 /nfs/dbraw/zinc/64/02/73/353640273.db2.gz WNZMQMUIXRJRFK-GJZGRUSLSA-N 2 2 309.373 1.687 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961823 353640274 /nfs/dbraw/zinc/64/02/74/353640274.db2.gz WNZMQMUIXRJRFK-GJZGRUSLSA-N 2 2 309.373 1.687 20 30 DDEDLP CC[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000081040921 353648724 /nfs/dbraw/zinc/64/87/24/353648724.db2.gz WPCJXDUEOHZLKR-UHFFFAOYSA-N 2 2 315.421 1.356 20 30 DDEDLP CC[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000081040921 353648728 /nfs/dbraw/zinc/64/87/28/353648728.db2.gz WPCJXDUEOHZLKR-UHFFFAOYSA-N 2 2 315.421 1.356 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000092802345 353870831 /nfs/dbraw/zinc/87/08/31/353870831.db2.gz NJOMGEMPDNRUKL-HNNXBMFYSA-N 2 2 302.378 1.297 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000092802345 353870832 /nfs/dbraw/zinc/87/08/32/353870832.db2.gz NJOMGEMPDNRUKL-HNNXBMFYSA-N 2 2 302.378 1.297 20 30 DDEDLP N#CCCN1CC[NH+](C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000601314939 358492718 /nfs/dbraw/zinc/49/27/18/358492718.db2.gz CFHLSLWZNRNPHV-UHFFFAOYSA-N 2 2 313.449 1.577 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(C#N)cc3F)C2)CC1 ZINC000591147568 355255033 /nfs/dbraw/zinc/25/50/33/355255033.db2.gz JKSPIKLDHBIDKI-CYBMUJFWSA-N 2 2 303.385 1.673 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(C#N)cc3F)C2)CC1 ZINC000591147568 355255036 /nfs/dbraw/zinc/25/50/36/355255036.db2.gz JKSPIKLDHBIDKI-CYBMUJFWSA-N 2 2 303.385 1.673 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H](C)C#N)CC2)CC1 ZINC000591551154 355326365 /nfs/dbraw/zinc/32/63/65/355326365.db2.gz KYRHPAAWAVOHEX-HNNXBMFYSA-N 2 2 321.469 1.348 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H](C)C#N)CC2)CC1 ZINC000591551154 355326369 /nfs/dbraw/zinc/32/63/69/355326369.db2.gz KYRHPAAWAVOHEX-HNNXBMFYSA-N 2 2 321.469 1.348 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H]([NH3+])CCCCC#N)CC1(C)C ZINC000595946882 356718035 /nfs/dbraw/zinc/71/80/35/356718035.db2.gz JRUDQHFFSGSSMO-OLZOCXBDSA-N 2 2 303.410 1.741 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](C(N)=O)C3)CC2)cc1 ZINC000599002496 357789729 /nfs/dbraw/zinc/78/97/29/357789729.db2.gz CRTHKCGTZKQWCU-JCNLHEQBSA-N 2 2 312.417 1.376 20 30 DDEDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000603433777 359636999 /nfs/dbraw/zinc/63/69/99/359636999.db2.gz WDMCCVNZINOXHY-INIZCTEOSA-N 2 2 305.422 1.749 20 30 DDEDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)cn1 ZINC000333496233 249002113 /nfs/dbraw/zinc/00/21/13/249002113.db2.gz ROGNBMLTRGJDLA-UHFFFAOYSA-N 2 2 313.449 1.654 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961822 285039308 /nfs/dbraw/zinc/03/93/08/285039308.db2.gz GHSOPOHTTZNONG-OWCLPIDISA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961822 285039310 /nfs/dbraw/zinc/03/93/10/285039310.db2.gz GHSOPOHTTZNONG-OWCLPIDISA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247961822 285039311 /nfs/dbraw/zinc/03/93/11/285039311.db2.gz GHSOPOHTTZNONG-OWCLPIDISA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247961822 285039313 /nfs/dbraw/zinc/03/93/13/285039313.db2.gz GHSOPOHTTZNONG-OWCLPIDISA-N 2 2 306.454 1.411 20 30 DDEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123600486 407334309 /nfs/dbraw/zinc/33/43/09/407334309.db2.gz PAXWGDLCJQNXND-OAHLLOKOSA-N 2 2 313.405 1.406 20 30 DDEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123600486 407334310 /nfs/dbraw/zinc/33/43/10/407334310.db2.gz PAXWGDLCJQNXND-OAHLLOKOSA-N 2 2 313.405 1.406 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000112560600 407432818 /nfs/dbraw/zinc/43/28/18/407432818.db2.gz GAVUVVNBHVNTPW-KRWDZBQOSA-N 2 2 317.481 1.922 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905299 407551479 /nfs/dbraw/zinc/55/14/79/407551479.db2.gz FLQSNEMKPCNTGQ-AWEZNQCLSA-N 3 2 304.442 1.272 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905299 407551485 /nfs/dbraw/zinc/55/14/85/407551485.db2.gz FLQSNEMKPCNTGQ-AWEZNQCLSA-N 3 2 304.442 1.272 20 30 DDEDLP CN(C(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000273339560 408159367 /nfs/dbraw/zinc/15/93/67/408159367.db2.gz MHALSJNNJULRDY-UHFFFAOYSA-N 2 2 302.422 1.428 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000293947072 409212439 /nfs/dbraw/zinc/21/24/39/409212439.db2.gz JRIRCIXDWDLUQQ-UHFFFAOYSA-N 2 2 310.401 1.616 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000293947072 409212440 /nfs/dbraw/zinc/21/24/40/409212440.db2.gz JRIRCIXDWDLUQQ-UHFFFAOYSA-N 2 2 310.401 1.616 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280546441 409352420 /nfs/dbraw/zinc/35/24/20/409352420.db2.gz UBYFLZCYGCCYLJ-NXHRZFHOSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280546441 409352431 /nfs/dbraw/zinc/35/24/31/409352431.db2.gz UBYFLZCYGCCYLJ-NXHRZFHOSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280546441 409352439 /nfs/dbraw/zinc/35/24/39/409352439.db2.gz UBYFLZCYGCCYLJ-NXHRZFHOSA-N 2 2 311.429 1.188 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280546441 409352445 /nfs/dbraw/zinc/35/24/45/409352445.db2.gz UBYFLZCYGCCYLJ-NXHRZFHOSA-N 2 2 311.429 1.188 20 30 DDEDLP C[NH+]1CCC(CNC(=[NH2+])N2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000304811290 409646455 /nfs/dbraw/zinc/64/64/55/409646455.db2.gz XBVCRPGXQBZXTN-UHFFFAOYSA-N 3 2 321.513 1.737 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359326013 410604816 /nfs/dbraw/zinc/60/48/16/410604816.db2.gz WIKVZPXBLOGAHL-KFWWJZLASA-N 2 2 319.474 1.802 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359326013 410604824 /nfs/dbraw/zinc/60/48/24/410604824.db2.gz WIKVZPXBLOGAHL-KFWWJZLASA-N 2 2 319.474 1.802 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330181815 410576654 /nfs/dbraw/zinc/57/66/54/410576654.db2.gz GXEZTWDXSVJISS-RDBSUJKOSA-N 2 2 305.426 1.430 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330181815 410576656 /nfs/dbraw/zinc/57/66/56/410576656.db2.gz GXEZTWDXSVJISS-RDBSUJKOSA-N 2 2 305.426 1.430 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091107 410952845 /nfs/dbraw/zinc/95/28/45/410952845.db2.gz CTYADQNEPMOOIS-CZUORRHYSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C#N)cc1 ZINC000344091107 410952849 /nfs/dbraw/zinc/95/28/49/410952849.db2.gz CTYADQNEPMOOIS-CZUORRHYSA-N 2 2 300.406 1.549 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374255169 418509563 /nfs/dbraw/zinc/50/95/63/418509563.db2.gz IRUGSHSDSGPSTA-CABCVRRESA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374255169 418509566 /nfs/dbraw/zinc/50/95/66/418509566.db2.gz IRUGSHSDSGPSTA-CABCVRRESA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000192231710 222123955 /nfs/dbraw/zinc/12/39/55/222123955.db2.gz DWVUOBXKZFPYQN-UHFFFAOYSA-N 2 2 317.458 1.739 20 30 DDEDLP C#CC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000192231710 222123956 /nfs/dbraw/zinc/12/39/56/222123956.db2.gz DWVUOBXKZFPYQN-UHFFFAOYSA-N 2 2 317.458 1.739 20 30 DDEDLP C[C@H]1C[NH+]=C(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)N1 ZINC000262680378 222290097 /nfs/dbraw/zinc/29/00/97/222290097.db2.gz VVOFPRYEYJFAQH-ZFWWWQNUSA-N 2 2 304.463 1.541 20 30 DDEDLP C[C@H]1C[NH+]=C(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)N1 ZINC000262680378 222290098 /nfs/dbraw/zinc/29/00/98/222290098.db2.gz VVOFPRYEYJFAQH-ZFWWWQNUSA-N 2 2 304.463 1.541 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccoc1 ZINC000262724255 222291551 /nfs/dbraw/zinc/29/15/51/222291551.db2.gz RNPUGHVJZSHKIO-UHFFFAOYSA-N 2 2 301.394 1.720 20 30 DDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000263279874 222307282 /nfs/dbraw/zinc/30/72/82/222307282.db2.gz ZSNSZGZSJMDJRJ-KFWWJZLASA-N 2 2 310.486 1.921 20 30 DDEDLP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000263279874 222307284 /nfs/dbraw/zinc/30/72/84/222307284.db2.gz ZSNSZGZSJMDJRJ-KFWWJZLASA-N 2 2 310.486 1.921 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264068753 222313061 /nfs/dbraw/zinc/31/30/61/222313061.db2.gz CLZUAWMCAQIINO-HUUCEWRRSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264068753 222313062 /nfs/dbraw/zinc/31/30/62/222313062.db2.gz CLZUAWMCAQIINO-HUUCEWRRSA-N 3 2 323.510 1.739 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000375539146 418656809 /nfs/dbraw/zinc/65/68/09/418656809.db2.gz AWPKDBKFRMYISR-UHFFFAOYSA-N 2 2 300.406 1.181 20 30 DDEDLP CNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273497454 222471489 /nfs/dbraw/zinc/47/14/89/222471489.db2.gz OPPBLWZSQQZQLS-UHFFFAOYSA-N 2 2 310.199 1.482 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376732458 418700948 /nfs/dbraw/zinc/70/09/48/418700948.db2.gz GIWIBYFTUXNPNU-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000370231493 418742142 /nfs/dbraw/zinc/74/21/42/418742142.db2.gz SEXVECIBFWWBBR-SJORKVTESA-N 2 2 315.417 1.910 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000370231493 418742143 /nfs/dbraw/zinc/74/21/43/418742143.db2.gz SEXVECIBFWWBBR-SJORKVTESA-N 2 2 315.417 1.910 20 30 DDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C(C)C ZINC000423349288 420022707 /nfs/dbraw/zinc/02/27/07/420022707.db2.gz VKONOQXVYKHDLZ-GJZGRUSLSA-N 2 2 322.478 1.958 20 30 DDEDLP C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000517231812 421602451 /nfs/dbraw/zinc/60/24/51/421602451.db2.gz QMKUHNPIOPGQHY-CGTJXYLNSA-N 2 2 318.465 1.474 20 30 DDEDLP C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000517231812 421602453 /nfs/dbraw/zinc/60/24/53/421602453.db2.gz QMKUHNPIOPGQHY-CGTJXYLNSA-N 2 2 318.465 1.474 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365239867 267231948 /nfs/dbraw/zinc/23/19/48/267231948.db2.gz GBECVJGQAHEOAX-MAUKXSAKSA-N 2 2 315.465 1.355 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365239867 267231951 /nfs/dbraw/zinc/23/19/51/267231951.db2.gz GBECVJGQAHEOAX-MAUKXSAKSA-N 2 2 315.465 1.355 20 30 DDEDLP Cc1cc(C#N)nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000376447615 267315135 /nfs/dbraw/zinc/31/51/35/267315135.db2.gz GNJZIWXTIAIMCS-CQSZACIVSA-N 2 2 314.437 1.261 20 30 DDEDLP Cc1cc(C#N)nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000376447615 267315138 /nfs/dbraw/zinc/31/51/38/267315138.db2.gz GNJZIWXTIAIMCS-CQSZACIVSA-N 2 2 314.437 1.261 20 30 DDEDLP N#Cc1ccc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000357753294 268172839 /nfs/dbraw/zinc/17/28/39/268172839.db2.gz KPAWQEMHFYNCIZ-UHFFFAOYSA-N 2 2 311.389 1.478 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648829 288135780 /nfs/dbraw/zinc/13/57/80/288135780.db2.gz UUAFBMGXUVUZSG-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648829 288135782 /nfs/dbraw/zinc/13/57/82/288135782.db2.gz UUAFBMGXUVUZSG-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648829 288135784 /nfs/dbraw/zinc/13/57/84/288135784.db2.gz UUAFBMGXUVUZSG-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648829 288135786 /nfs/dbraw/zinc/13/57/86/288135786.db2.gz UUAFBMGXUVUZSG-IYBDPMFKSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000526055955 333079310 /nfs/dbraw/zinc/07/93/10/333079310.db2.gz RJEDWTBZYJKQCG-HUUCEWRRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000526055955 333079311 /nfs/dbraw/zinc/07/93/11/333079311.db2.gz RJEDWTBZYJKQCG-HUUCEWRRSA-N 2 2 304.438 1.355 20 30 DDEDLP C=CC[C@@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]1 ZINC000662911106 484535551 /nfs/dbraw/zinc/53/55/51/484535551.db2.gz RPODQRBJXIFQNK-SFHVURJKSA-N 2 2 321.465 1.256 20 30 DDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424185374 534446197 /nfs/dbraw/zinc/44/61/97/534446197.db2.gz ZJEDRCHNWOWSKB-ZDUSSCGKSA-N 2 2 317.393 1.186 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826838 /nfs/dbraw/zinc/82/68/38/526826838.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826839 /nfs/dbraw/zinc/82/68/39/526826839.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826841 /nfs/dbraw/zinc/82/68/41/526826841.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826843 /nfs/dbraw/zinc/82/68/43/526826843.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830436 /nfs/dbraw/zinc/83/04/36/526830436.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830439 /nfs/dbraw/zinc/83/04/39/526830439.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830443 /nfs/dbraw/zinc/83/04/43/526830443.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830445 /nfs/dbraw/zinc/83/04/45/526830445.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000490650429 526928566 /nfs/dbraw/zinc/92/85/66/526928566.db2.gz NADIQNNQRQVMGM-UHFFFAOYSA-N 2 2 322.412 1.834 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000490800599 526949341 /nfs/dbraw/zinc/94/93/41/526949341.db2.gz VSNJPAUIGIYLRZ-HZPDHXFCSA-N 2 2 321.490 1.124 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000490800599 526949347 /nfs/dbraw/zinc/94/93/47/526949347.db2.gz VSNJPAUIGIYLRZ-HZPDHXFCSA-N 2 2 321.490 1.124 20 30 DDEDLP C#C[C@@H](CCC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491633576 527253614 /nfs/dbraw/zinc/25/36/14/527253614.db2.gz UKGLGMKCFACFFN-HNNXBMFYSA-N 2 2 320.481 1.646 20 30 DDEDLP CC1(C)C[NH+](CC#CC[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161621 529113172 /nfs/dbraw/zinc/11/31/72/529113172.db2.gz JHVZVFYOZXWMGJ-IYBDPMFKSA-N 2 2 308.466 1.175 20 30 DDEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161621 529113187 /nfs/dbraw/zinc/11/31/87/529113187.db2.gz JHVZVFYOZXWMGJ-IYBDPMFKSA-N 2 2 308.466 1.175 20 30 DDEDLP CC1(C)C[N@H+](CC#CC[NH+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161621 529113191 /nfs/dbraw/zinc/11/31/91/529113191.db2.gz JHVZVFYOZXWMGJ-IYBDPMFKSA-N 2 2 308.466 1.175 20 30 DDEDLP CC1(C)C[N@@H+](CC#CC[NH+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161621 529113200 /nfs/dbraw/zinc/11/32/00/529113200.db2.gz JHVZVFYOZXWMGJ-IYBDPMFKSA-N 2 2 308.466 1.175 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738626 695722825 /nfs/dbraw/zinc/72/28/25/695722825.db2.gz CTTQPUJGUYZMPA-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974738626 695722827 /nfs/dbraw/zinc/72/28/27/695722827.db2.gz CTTQPUJGUYZMPA-KBPBESRZSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473517 696179132 /nfs/dbraw/zinc/17/91/32/696179132.db2.gz XNHUYAHHFUBQJL-UONOGXRCSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473517 696179133 /nfs/dbraw/zinc/17/91/33/696179133.db2.gz XNHUYAHHFUBQJL-UONOGXRCSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473517 696179134 /nfs/dbraw/zinc/17/91/34/696179134.db2.gz XNHUYAHHFUBQJL-UONOGXRCSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473517 696179135 /nfs/dbraw/zinc/17/91/35/696179135.db2.gz XNHUYAHHFUBQJL-UONOGXRCSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000978537254 696405859 /nfs/dbraw/zinc/40/58/59/696405859.db2.gz VAJVUSLQLQADGY-NNZMDNLPSA-N 2 2 322.412 1.966 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000978537254 696405860 /nfs/dbraw/zinc/40/58/60/696405860.db2.gz VAJVUSLQLQADGY-NNZMDNLPSA-N 2 2 322.412 1.966 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981807208 696924444 /nfs/dbraw/zinc/92/44/44/696924444.db2.gz ZFBUEVAHJWBNBX-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000981807208 696924447 /nfs/dbraw/zinc/92/44/47/696924447.db2.gz ZFBUEVAHJWBNBX-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981807208 696924450 /nfs/dbraw/zinc/92/44/50/696924450.db2.gz ZFBUEVAHJWBNBX-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000981807208 696924453 /nfs/dbraw/zinc/92/44/53/696924453.db2.gz ZFBUEVAHJWBNBX-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853548 696943251 /nfs/dbraw/zinc/94/32/51/696943251.db2.gz PNKDWUBPUFLVBC-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000981853548 696943253 /nfs/dbraw/zinc/94/32/53/696943253.db2.gz PNKDWUBPUFLVBC-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000986296646 697770369 /nfs/dbraw/zinc/77/03/69/697770369.db2.gz SAYHHLIDTCFLOS-UKRRQHHQSA-N 2 2 302.422 1.527 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987067110 697983329 /nfs/dbraw/zinc/98/33/29/697983329.db2.gz LWZWCXGOLGGMFK-GUYCJALGSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989672310 698719691 /nfs/dbraw/zinc/71/96/91/698719691.db2.gz IPQDCOXQOGIANM-KBPBESRZSA-N 2 2 311.389 1.646 20 30 DDEDLP C[C@H](C#N)OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000801926950 700355448 /nfs/dbraw/zinc/35/54/48/700355448.db2.gz ZRTYACWXCQDBDQ-MRXNPFEDSA-N 2 2 316.449 1.949 20 30 DDEDLP C[C@H](C#N)OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000801926950 700355452 /nfs/dbraw/zinc/35/54/52/700355452.db2.gz ZRTYACWXCQDBDQ-MRXNPFEDSA-N 2 2 316.449 1.949 20 30 DDEDLP C#C[C@@H]1COCC[NH+]1CCC(C)CC[N@@H+]1CCOC[C@H]1C#C ZINC000839619708 701755416 /nfs/dbraw/zinc/75/54/16/701755416.db2.gz UUVJJLQSPVVGQV-QZTJIDSGSA-N 2 2 304.434 1.071 20 30 DDEDLP C#C[C@@H]1COCC[NH+]1CCC(C)CC[N@H+]1CCOC[C@H]1C#C ZINC000839619708 701755422 /nfs/dbraw/zinc/75/54/22/701755422.db2.gz UUVJJLQSPVVGQV-QZTJIDSGSA-N 2 2 304.434 1.071 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCNC(=O)CC2)cc1 ZINC000842036927 702661026 /nfs/dbraw/zinc/66/10/26/702661026.db2.gz RKDIJMKJXQPWII-CQSZACIVSA-N 2 2 318.421 1.301 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000883372379 707986123 /nfs/dbraw/zinc/98/61/23/707986123.db2.gz YSLLAQQEMXFZHT-OAHLLOKOSA-N 2 2 318.421 1.037 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000886615745 708794662 /nfs/dbraw/zinc/79/46/62/708794662.db2.gz MYRGPFODQBJXBM-ZDUSSCGKSA-N 2 2 304.394 1.049 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000886615745 708794664 /nfs/dbraw/zinc/79/46/64/708794664.db2.gz MYRGPFODQBJXBM-ZDUSSCGKSA-N 2 2 304.394 1.049 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912387343 711305942 /nfs/dbraw/zinc/30/59/42/711305942.db2.gz OPSVGRGFCVEPGF-HTWSVDAQSA-N 2 2 320.481 1.706 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912387343 711305945 /nfs/dbraw/zinc/30/59/45/711305945.db2.gz OPSVGRGFCVEPGF-HTWSVDAQSA-N 2 2 320.481 1.706 20 30 DDEDLP CCOCCC[NH+]=C(NCC[N@@H+](C)CCOC)NC(C)(C)C ZINC000912498726 711353193 /nfs/dbraw/zinc/35/31/93/711353193.db2.gz FKUPAYMXTYTUSJ-UHFFFAOYSA-N 2 2 316.490 1.325 20 30 DDEDLP CCOCCC[NH+]=C(NCC[N@H+](C)CCOC)NC(C)(C)C ZINC000912498726 711353187 /nfs/dbraw/zinc/35/31/87/711353187.db2.gz FKUPAYMXTYTUSJ-UHFFFAOYSA-N 2 2 316.490 1.325 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000928647976 713249566 /nfs/dbraw/zinc/24/95/66/713249566.db2.gz BWNAQWFXFODYTM-MRXNPFEDSA-N 2 2 302.422 1.684 20 30 DDEDLP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924995649 714720439 /nfs/dbraw/zinc/72/04/39/714720439.db2.gz ZVJTUKVQGKPXSN-PBHICJAKSA-N 2 2 316.449 1.940 20 30 DDEDLP N#Cc1ccccc1N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925726338 714922173 /nfs/dbraw/zinc/92/21/73/714922173.db2.gz RIXAWEKHELJASJ-MRXNPFEDSA-N 2 2 300.406 1.105 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282305 716894645 /nfs/dbraw/zinc/89/46/45/716894645.db2.gz BRHUGVJPHCGQJQ-HOTGVXAUSA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961282305 716894651 /nfs/dbraw/zinc/89/46/51/716894651.db2.gz BRHUGVJPHCGQJQ-HOTGVXAUSA-N 2 2 300.406 1.077 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289945 716897956 /nfs/dbraw/zinc/89/79/56/716897956.db2.gz YYPILDUQZTUNAO-HOTGVXAUSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961289945 716897959 /nfs/dbraw/zinc/89/79/59/716897959.db2.gz YYPILDUQZTUNAO-HOTGVXAUSA-N 2 2 302.422 1.630 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000962467761 717466953 /nfs/dbraw/zinc/46/69/53/717466953.db2.gz YVEGLAXLNAXGAP-UHFFFAOYSA-N 2 2 323.400 1.508 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486611 717697214 /nfs/dbraw/zinc/69/72/14/717697214.db2.gz NLTDGQSEIVBEER-LSDHHAIUSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486611 717697218 /nfs/dbraw/zinc/69/72/18/717697218.db2.gz NLTDGQSEIVBEER-LSDHHAIUSA-N 2 2 310.401 1.798 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471333 719176591 /nfs/dbraw/zinc/17/65/91/719176591.db2.gz ASIONTVNURONCP-KBPBESRZSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471333 719176593 /nfs/dbraw/zinc/17/65/93/719176593.db2.gz ASIONTVNURONCP-KBPBESRZSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473838 719177674 /nfs/dbraw/zinc/17/76/74/719177674.db2.gz OQJJDUISGXHYCT-CHWSQXEVSA-N 2 2 306.410 1.505 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473838 719177676 /nfs/dbraw/zinc/17/76/76/719177676.db2.gz OQJJDUISGXHYCT-CHWSQXEVSA-N 2 2 306.410 1.505 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557512 719211196 /nfs/dbraw/zinc/21/11/96/719211196.db2.gz YNKUHLWSWKMQSL-HUUCEWRRSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557512 719211199 /nfs/dbraw/zinc/21/11/99/719211199.db2.gz YNKUHLWSWKMQSL-HUUCEWRRSA-N 2 2 314.433 1.364 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948745172 719683080 /nfs/dbraw/zinc/68/30/80/719683080.db2.gz ATDGWGUKMSPTDM-KRWDZBQOSA-N 2 2 321.465 1.350 20 30 DDEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948745172 719683082 /nfs/dbraw/zinc/68/30/82/719683082.db2.gz ATDGWGUKMSPTDM-KRWDZBQOSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948986099 719825400 /nfs/dbraw/zinc/82/54/00/719825400.db2.gz HZPMVHYKFCIUAX-WMZOPIPTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948986099 719825407 /nfs/dbraw/zinc/82/54/07/719825407.db2.gz HZPMVHYKFCIUAX-WMZOPIPTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986099 719825411 /nfs/dbraw/zinc/82/54/11/719825411.db2.gz HZPMVHYKFCIUAX-WMZOPIPTSA-N 2 2 311.429 1.287 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948986099 719825418 /nfs/dbraw/zinc/82/54/18/719825418.db2.gz HZPMVHYKFCIUAX-WMZOPIPTSA-N 2 2 311.429 1.287 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925502 719875266 /nfs/dbraw/zinc/87/52/66/719875266.db2.gz FPWDPPLHBXCLGM-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012727 720598050 /nfs/dbraw/zinc/59/80/50/720598050.db2.gz NFLPKMQTVJAPEL-GFCCVEGCSA-N 2 2 306.410 1.362 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950704773 720741011 /nfs/dbraw/zinc/74/10/11/720741011.db2.gz BIOZXYGOWYRBEF-QGZVFWFLSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950704773 720741015 /nfs/dbraw/zinc/74/10/15/720741015.db2.gz BIOZXYGOWYRBEF-QGZVFWFLSA-N 2 2 305.466 1.663 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407841 720750837 /nfs/dbraw/zinc/75/08/37/720750837.db2.gz QJNZRQQHEPXBTN-TZMCWYRMSA-N 2 2 302.422 1.842 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970447473 720765714 /nfs/dbraw/zinc/76/57/14/720765714.db2.gz QPNNBSPPNNQFIR-NUEKZKHPSA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970753079 720923337 /nfs/dbraw/zinc/92/33/37/720923337.db2.gz YOAHLWJELROQHH-LBPRGKRZSA-N 2 2 322.840 1.950 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024488440 735865721 /nfs/dbraw/zinc/86/57/21/735865721.db2.gz YVCNXBKOQDBZNW-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024488440 735865725 /nfs/dbraw/zinc/86/57/25/735865725.db2.gz YVCNXBKOQDBZNW-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024488440 735865728 /nfs/dbraw/zinc/86/57/28/735865728.db2.gz YVCNXBKOQDBZNW-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024488440 735865731 /nfs/dbraw/zinc/86/57/31/735865731.db2.gz YVCNXBKOQDBZNW-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682735 738544708 /nfs/dbraw/zinc/54/47/08/738544708.db2.gz WRNYYGJUKFJPSM-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682735 738544712 /nfs/dbraw/zinc/54/47/12/738544712.db2.gz WRNYYGJUKFJPSM-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001020660921 732611858 /nfs/dbraw/zinc/61/18/58/732611858.db2.gz MORHLNFVWLSJGE-WKILWMFISA-N 2 2 321.465 1.444 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202054 733127600 /nfs/dbraw/zinc/12/76/00/733127600.db2.gz KKXUEANUPWLNGE-GJZGRUSLSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644154 733397929 /nfs/dbraw/zinc/39/79/29/733397929.db2.gz DWLUDCQGAIMTAE-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645489 733398286 /nfs/dbraw/zinc/39/82/86/733398286.db2.gz LXZORPDOCPVPEV-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021645489 733398290 /nfs/dbraw/zinc/39/82/90/733398290.db2.gz LXZORPDOCPVPEV-DLBZAZTESA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001027897020 738784794 /nfs/dbraw/zinc/78/47/94/738784794.db2.gz DFNNEQACFHGLKX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001027897020 738784798 /nfs/dbraw/zinc/78/47/98/738784798.db2.gz DFNNEQACFHGLKX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897020 738784800 /nfs/dbraw/zinc/78/48/00/738784800.db2.gz DFNNEQACFHGLKX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897020 738784803 /nfs/dbraw/zinc/78/48/03/738784803.db2.gz DFNNEQACFHGLKX-CJNGLKHVSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479866 735862321 /nfs/dbraw/zinc/86/23/21/735862321.db2.gz RXIMVSAWCDNXCY-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479866 735862324 /nfs/dbraw/zinc/86/23/24/735862324.db2.gz RXIMVSAWCDNXCY-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024515862 735893077 /nfs/dbraw/zinc/89/30/77/735893077.db2.gz DNUOVTZMUFLIDW-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001024515862 735893080 /nfs/dbraw/zinc/89/30/80/735893080.db2.gz DNUOVTZMUFLIDW-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024515862 735893082 /nfs/dbraw/zinc/89/30/82/735893082.db2.gz DNUOVTZMUFLIDW-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001024515862 735893084 /nfs/dbraw/zinc/89/30/84/735893084.db2.gz DNUOVTZMUFLIDW-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516571 735894160 /nfs/dbraw/zinc/89/41/60/735894160.db2.gz LJQDTDHJVQUHOP-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516571 735894164 /nfs/dbraw/zinc/89/41/64/735894164.db2.gz LJQDTDHJVQUHOP-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984687 738909167 /nfs/dbraw/zinc/90/91/67/738909167.db2.gz RCQNEGHFLNYIFE-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984687 738909168 /nfs/dbraw/zinc/90/91/68/738909168.db2.gz RCQNEGHFLNYIFE-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726919 736842817 /nfs/dbraw/zinc/84/28/17/736842817.db2.gz NMTXUMULHYAORO-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726919 736842823 /nfs/dbraw/zinc/84/28/23/736842823.db2.gz NMTXUMULHYAORO-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001026311940 737333059 /nfs/dbraw/zinc/33/30/59/737333059.db2.gz NNBZRRRKAOTPIQ-SOUVJXGZSA-N 2 2 308.385 1.408 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697252 738956428 /nfs/dbraw/zinc/95/64/28/738956428.db2.gz YXGVFLGTVUOHCN-DLBZAZTESA-N 2 2 322.412 1.560 20 30 DDEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101851 737531516 /nfs/dbraw/zinc/53/15/16/737531516.db2.gz KBDYQONFHDWGGW-HZPDHXFCSA-N 2 2 320.437 1.160 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001026517971 737630484 /nfs/dbraw/zinc/63/04/84/737630484.db2.gz WWWAOGSISMJVJM-NFOMZHRRSA-N 2 2 300.406 1.096 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001027140997 738078657 /nfs/dbraw/zinc/07/86/57/738078657.db2.gz RXTURUQIPKYGNT-MRXNPFEDSA-N 2 2 323.400 1.462 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027468288 738321750 /nfs/dbraw/zinc/32/17/50/738321750.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001027468288 738321753 /nfs/dbraw/zinc/32/17/53/738321753.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027468288 738321756 /nfs/dbraw/zinc/32/17/56/738321756.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027468288 738321760 /nfs/dbraw/zinc/32/17/60/738321760.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027470104 738327385 /nfs/dbraw/zinc/32/73/85/738327385.db2.gz JKCDHQVDQVCCEM-GDBMZVCRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001027470104 738327389 /nfs/dbraw/zinc/32/73/89/738327389.db2.gz JKCDHQVDQVCCEM-GDBMZVCRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001037865983 751517306 /nfs/dbraw/zinc/51/73/06/751517306.db2.gz CKQUCWJOUOYENZ-HZPDHXFCSA-N 2 2 316.449 1.777 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791294 740507207 /nfs/dbraw/zinc/50/72/07/740507207.db2.gz LDQVCJBFKJIDHN-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791294 740507209 /nfs/dbraw/zinc/50/72/09/740507209.db2.gz LDQVCJBFKJIDHN-DLBZAZTESA-N 2 2 322.412 1.812 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630598 740683873 /nfs/dbraw/zinc/68/38/73/740683873.db2.gz PIXROGORQLDQHS-OWCLPIDISA-N 2 2 314.433 1.438 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630598 740683874 /nfs/dbraw/zinc/68/38/74/740683874.db2.gz PIXROGORQLDQHS-OWCLPIDISA-N 2 2 314.433 1.438 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC ZINC001037967456 751603809 /nfs/dbraw/zinc/60/38/09/751603809.db2.gz PTAFVSNESGOKTJ-KGLIPLIRSA-N 2 2 302.422 1.537 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001088420775 741481160 /nfs/dbraw/zinc/48/11/60/741481160.db2.gz YANAMDUQQWASFS-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679334 742071965 /nfs/dbraw/zinc/07/19/65/742071965.db2.gz MMDAUJHQTHUIKP-KFWWJZLASA-N 2 2 300.406 1.048 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679334 742071968 /nfs/dbraw/zinc/07/19/68/742071968.db2.gz MMDAUJHQTHUIKP-KFWWJZLASA-N 2 2 300.406 1.048 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001076424615 742724927 /nfs/dbraw/zinc/72/49/27/742724927.db2.gz DGPKGSGUSWTTRL-WMLDXEAASA-N 2 2 323.400 1.600 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001076424615 742724929 /nfs/dbraw/zinc/72/49/29/742724929.db2.gz DGPKGSGUSWTTRL-WMLDXEAASA-N 2 2 323.400 1.600 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001181952348 743408277 /nfs/dbraw/zinc/40/82/77/743408277.db2.gz VKHRTZFZZUDTHL-IIDMSEBBSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)CC)C1 ZINC001030024693 743689199 /nfs/dbraw/zinc/68/91/99/743689199.db2.gz FCQKWFXPCOYCGX-BBWFWOEESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001030024693 743689203 /nfs/dbraw/zinc/68/92/03/743689203.db2.gz FCQKWFXPCOYCGX-BBWFWOEESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001030024693 743689206 /nfs/dbraw/zinc/68/92/06/743689206.db2.gz FCQKWFXPCOYCGX-BBWFWOEESA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001030024693 743689210 /nfs/dbraw/zinc/68/92/10/743689210.db2.gz FCQKWFXPCOYCGX-BBWFWOEESA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183272496 743804879 /nfs/dbraw/zinc/80/48/79/743804879.db2.gz YDUIFUDQYLLIPX-CXAGYDPISA-N 2 2 302.422 1.358 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001185110207 744162186 /nfs/dbraw/zinc/16/21/86/744162186.db2.gz OOXNYYVXIIAOJO-WBVHZDCISA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001185110207 744162187 /nfs/dbraw/zinc/16/21/87/744162187.db2.gz OOXNYYVXIIAOJO-WBVHZDCISA-N 2 2 321.465 1.396 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185490460 744244741 /nfs/dbraw/zinc/24/47/41/744244741.db2.gz ASUNZEOBFYUTRH-CABCVRRESA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185786804 744285540 /nfs/dbraw/zinc/28/55/40/744285540.db2.gz BGKBEFUINFDYTI-GXTWGEPZSA-N 2 2 310.829 1.710 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187421219 744560686 /nfs/dbraw/zinc/56/06/86/744560686.db2.gz XWZCGSMSNMHGGK-QGZVFWFLSA-N 2 2 322.412 1.503 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992833738 745235877 /nfs/dbraw/zinc/23/58/77/745235877.db2.gz LUBZRDWCJXNWBP-VHDGCEQUSA-N 2 2 322.840 1.921 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990032 745398254 /nfs/dbraw/zinc/39/82/54/745398254.db2.gz WNBLMXPLQMMPMX-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001190990032 745398259 /nfs/dbraw/zinc/39/82/59/745398259.db2.gz WNBLMXPLQMMPMX-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142514 745710043 /nfs/dbraw/zinc/71/00/43/745710043.db2.gz JIPULZKZJUPZIV-GFCCVEGCSA-N 2 2 318.259 1.379 20 30 DDEDLP C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192142514 745710044 /nfs/dbraw/zinc/71/00/44/745710044.db2.gz JIPULZKZJUPZIV-GFCCVEGCSA-N 2 2 318.259 1.379 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426507 745781111 /nfs/dbraw/zinc/78/11/11/745781111.db2.gz PXDWDEZVROOSIP-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426507 745781116 /nfs/dbraw/zinc/78/11/16/745781116.db2.gz PXDWDEZVROOSIP-RBSFLKMASA-N 2 2 300.406 1.080 20 30 DDEDLP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577389 745829408 /nfs/dbraw/zinc/82/94/08/745829408.db2.gz GEKQZILCMMFZHB-HOTGVXAUSA-N 2 2 318.421 1.017 20 30 DDEDLP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577389 745829413 /nfs/dbraw/zinc/82/94/13/745829413.db2.gz GEKQZILCMMFZHB-HOTGVXAUSA-N 2 2 318.421 1.017 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153045 746292814 /nfs/dbraw/zinc/29/28/14/746292814.db2.gz ATORUISIINUYFP-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153045 746292820 /nfs/dbraw/zinc/29/28/20/746292820.db2.gz ATORUISIINUYFP-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294970 746347591 /nfs/dbraw/zinc/34/75/91/746347591.db2.gz NUFFFFHBONFXEV-IRXDYDNUSA-N 2 2 314.433 1.240 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194294970 746347598 /nfs/dbraw/zinc/34/75/98/746347598.db2.gz NUFFFFHBONFXEV-IRXDYDNUSA-N 2 2 314.433 1.240 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001003190648 747041791 /nfs/dbraw/zinc/04/17/91/747041791.db2.gz QTDWOPXZZLPXBK-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#C[C@H](C)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198036020 747356925 /nfs/dbraw/zinc/35/69/25/747356925.db2.gz HZGJNQBOQZCLKB-HNNXBMFYSA-N 2 2 301.434 1.822 20 30 DDEDLP C#C[C@H](C)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198036020 747356931 /nfs/dbraw/zinc/35/69/31/747356931.db2.gz HZGJNQBOQZCLKB-HNNXBMFYSA-N 2 2 301.434 1.822 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001004259173 748178880 /nfs/dbraw/zinc/17/88/80/748178880.db2.gz WPISKMBMWDAKJQ-UHFFFAOYSA-N 2 2 322.412 1.515 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097378 748252329 /nfs/dbraw/zinc/25/23/29/748252329.db2.gz SEMRQXQWULRESM-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097378 748252334 /nfs/dbraw/zinc/25/23/34/748252334.db2.gz SEMRQXQWULRESM-INIZCTEOSA-N 2 2 316.449 1.871 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001201339353 748490298 /nfs/dbraw/zinc/49/02/98/748490298.db2.gz XVBISOVZDCDHBV-CQSZACIVSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001201339353 748490302 /nfs/dbraw/zinc/49/03/02/748490302.db2.gz XVBISOVZDCDHBV-CQSZACIVSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004583500 748566512 /nfs/dbraw/zinc/56/65/12/748566512.db2.gz YPLDGWDJVRCRJU-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004583500 748566518 /nfs/dbraw/zinc/56/65/18/748566518.db2.gz YPLDGWDJVRCRJU-KRWDZBQOSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704527 752285249 /nfs/dbraw/zinc/28/52/49/752285249.db2.gz KDAHTWATOBTGRL-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704527 752285250 /nfs/dbraw/zinc/28/52/50/752285250.db2.gz KDAHTWATOBTGRL-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201856376 748612065 /nfs/dbraw/zinc/61/20/65/748612065.db2.gz KCFAAHFNXBNBQL-AWEZNQCLSA-N 2 2 320.437 1.471 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885442 748694003 /nfs/dbraw/zinc/69/40/03/748694003.db2.gz GNAUQNQMDCFKFV-LLLHUVSDSA-N 2 2 314.433 1.317 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885442 748694007 /nfs/dbraw/zinc/69/40/07/748694007.db2.gz GNAUQNQMDCFKFV-LLLHUVSDSA-N 2 2 314.433 1.317 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201451 748909804 /nfs/dbraw/zinc/90/98/04/748909804.db2.gz DACHBVHICLFJDM-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033201451 748909807 /nfs/dbraw/zinc/90/98/07/748909807.db2.gz DACHBVHICLFJDM-HOCLYGCPSA-N 2 2 300.406 1.002 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032313664 749870973 /nfs/dbraw/zinc/87/09/73/749870973.db2.gz NOKSTLWFVINEBI-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032313664 749870979 /nfs/dbraw/zinc/87/09/79/749870979.db2.gz NOKSTLWFVINEBI-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032313664 749870985 /nfs/dbraw/zinc/87/09/85/749870985.db2.gz NOKSTLWFVINEBI-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032313664 749870989 /nfs/dbraw/zinc/87/09/89/749870989.db2.gz NOKSTLWFVINEBI-BZSNNMDCSA-N 2 2 324.428 1.438 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878738 750020528 /nfs/dbraw/zinc/02/05/28/750020528.db2.gz SDBXKGUTNQLKCO-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033878738 750020535 /nfs/dbraw/zinc/02/05/35/750020535.db2.gz SDBXKGUTNQLKCO-RDJZCZTQSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001095556481 750038256 /nfs/dbraw/zinc/03/82/56/750038256.db2.gz TYSNLNDWLLNWJH-QZWWFDLISA-N 2 2 301.434 1.216 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001095556481 750038261 /nfs/dbraw/zinc/03/82/61/750038261.db2.gz TYSNLNDWLLNWJH-QZWWFDLISA-N 2 2 301.434 1.216 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC1 ZINC001095556481 750038269 /nfs/dbraw/zinc/03/82/69/750038269.db2.gz TYSNLNDWLLNWJH-QZWWFDLISA-N 2 2 301.434 1.216 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC1 ZINC001095556481 750038277 /nfs/dbraw/zinc/03/82/77/750038277.db2.gz TYSNLNDWLLNWJH-QZWWFDLISA-N 2 2 301.434 1.216 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001039410011 762006952 /nfs/dbraw/zinc/00/69/52/762006952.db2.gz OCNXEEYQOSRNBX-CVEARBPZSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001039410011 762006963 /nfs/dbraw/zinc/00/69/63/762006963.db2.gz OCNXEEYQOSRNBX-CVEARBPZSA-N 2 2 314.433 1.441 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000996855891 750210251 /nfs/dbraw/zinc/21/02/51/750210251.db2.gz IODLVROCVMAPMC-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996855891 750210253 /nfs/dbraw/zinc/21/02/53/750210253.db2.gz IODLVROCVMAPMC-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997177922 750664598 /nfs/dbraw/zinc/66/45/98/750664598.db2.gz QGWWHBACXHRCFI-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997181781 750670126 /nfs/dbraw/zinc/67/01/26/750670126.db2.gz SCEPXRDOKGKWTD-GDBMZVCRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005604567 750693945 /nfs/dbraw/zinc/69/39/45/750693945.db2.gz CCNONLMSNISTAB-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005618226 750708645 /nfs/dbraw/zinc/70/86/45/750708645.db2.gz PSTGNBMLLYJBQH-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999169343 752597132 /nfs/dbraw/zinc/59/71/32/752597132.db2.gz PKJBOVQPZHZIJN-GPANFISMSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999169343 752597133 /nfs/dbraw/zinc/59/71/33/752597133.db2.gz PKJBOVQPZHZIJN-GPANFISMSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001032674379 752703983 /nfs/dbraw/zinc/70/39/83/752703983.db2.gz ONPFFXBRLFRWQW-BPUTZDHNSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001032674379 752703988 /nfs/dbraw/zinc/70/39/88/752703988.db2.gz ONPFFXBRLFRWQW-BPUTZDHNSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001032674379 752703991 /nfs/dbraw/zinc/70/39/91/752703991.db2.gz ONPFFXBRLFRWQW-BPUTZDHNSA-N 2 2 302.422 1.840 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 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XEOXIFZANVPNBF-HRCADAONSA-N 2 2 314.433 1.705 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565849 758036187 /nfs/dbraw/zinc/03/61/87/758036187.db2.gz XEOXIFZANVPNBF-HRCADAONSA-N 2 2 314.433 1.705 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)CC1CC[NH+](C)CC1)CCO2 ZINC001053460135 758478939 /nfs/dbraw/zinc/47/89/39/758478939.db2.gz RQWZJRRHEJKTAA-UHFFFAOYSA-N 2 2 321.465 1.208 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053925561 758963047 /nfs/dbraw/zinc/96/30/47/758963047.db2.gz MUKSFRTXBYFZMK-HNNXBMFYSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053925561 758963051 /nfs/dbraw/zinc/96/30/51/758963051.db2.gz MUKSFRTXBYFZMK-HNNXBMFYSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054227876 759318264 /nfs/dbraw/zinc/31/82/64/759318264.db2.gz LSKKSMUBYNQOBG-GOSISDBHSA-N 2 2 314.433 1.635 20 30 DDEDLP 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ZINC001085816921 760297858 /nfs/dbraw/zinc/29/78/58/760297858.db2.gz KBOFYRPSHRTGQC-HOTGVXAUSA-N 2 2 316.449 1.863 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816921 760297868 /nfs/dbraw/zinc/29/78/68/760297868.db2.gz KBOFYRPSHRTGQC-HOTGVXAUSA-N 2 2 316.449 1.863 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](F)CC)CC1 ZINC001085987232 760658357 /nfs/dbraw/zinc/65/83/57/760658357.db2.gz XHAWCZFCZMVBJI-SJORKVTESA-N 2 2 323.456 1.612 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](F)CC)CC1 ZINC001085987232 760658359 /nfs/dbraw/zinc/65/83/59/760658359.db2.gz XHAWCZFCZMVBJI-SJORKVTESA-N 2 2 323.456 1.612 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086123860 761015878 /nfs/dbraw/zinc/01/58/78/761015878.db2.gz XNIMTTDVUULJRZ-MELADBBJSA-N 2 2 322.840 1.682 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039161039 761788156 /nfs/dbraw/zinc/78/81/56/761788156.db2.gz GQRLBXHZTLWPCH-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039161039 761788168 /nfs/dbraw/zinc/78/81/68/761788168.db2.gz GQRLBXHZTLWPCH-MRXNPFEDSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039161854 761789838 /nfs/dbraw/zinc/78/98/38/761789838.db2.gz PMACBLFMNQLEFM-OAHLLOKOSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001039161854 761789841 /nfs/dbraw/zinc/78/98/41/761789841.db2.gz PMACBLFMNQLEFM-OAHLLOKOSA-N 2 2 302.422 1.699 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042163015 763728288 /nfs/dbraw/zinc/72/82/88/763728288.db2.gz NJFUBIHSSRYXJF-HZPDHXFCSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042163015 763728297 /nfs/dbraw/zinc/72/82/97/763728297.db2.gz NJFUBIHSSRYXJF-HZPDHXFCSA-N 2 2 314.433 1.299 20 30 DDEDLP 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C#CCC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482337 766340398 /nfs/dbraw/zinc/34/03/98/766340398.db2.gz JQNCUWLNBDCFRJ-UHFFFAOYSA-N 2 2 318.421 1.344 20 30 DDEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553085 766397377 /nfs/dbraw/zinc/39/73/77/766397377.db2.gz FSDDFYULSRMWTF-ZDUSSCGKSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130006363 767150584 /nfs/dbraw/zinc/15/05/84/767150584.db2.gz DXXNVTIMQSCRMJ-OAHLLOKOSA-N 2 2 308.426 1.379 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133020378 769409689 /nfs/dbraw/zinc/40/96/89/769409689.db2.gz DMBUPQPTZITMDE-HOTGVXAUSA-N 2 2 302.422 1.371 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071690072 769885275 /nfs/dbraw/zinc/88/52/75/769885275.db2.gz UVFMNRKRTJVSMD-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071690072 769885286 /nfs/dbraw/zinc/88/52/86/769885286.db2.gz UVFMNRKRTJVSMD-JSGCOSHPSA-N 2 2 310.829 1.913 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048909009 770092643 /nfs/dbraw/zinc/09/26/43/770092643.db2.gz YKCNGQBPHMZEFV-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048909009 770092656 /nfs/dbraw/zinc/09/26/56/770092656.db2.gz YKCNGQBPHMZEFV-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960839 770169846 /nfs/dbraw/zinc/16/98/46/770169846.db2.gz OKLFTOYDSYADFD-BBWFWOEESA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960839 770169856 /nfs/dbraw/zinc/16/98/56/770169856.db2.gz OKLFTOYDSYADFD-BBWFWOEESA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960839 770169860 /nfs/dbraw/zinc/16/98/60/770169860.db2.gz OKLFTOYDSYADFD-BBWFWOEESA-N 2 2 321.465 1.064 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960839 770169869 /nfs/dbraw/zinc/16/98/69/770169869.db2.gz OKLFTOYDSYADFD-BBWFWOEESA-N 2 2 321.465 1.064 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513367 770954830 /nfs/dbraw/zinc/95/48/30/770954830.db2.gz WFIRQAMDEAJWDD-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513367 770954839 /nfs/dbraw/zinc/95/48/39/770954839.db2.gz WFIRQAMDEAJWDD-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513367 770954847 /nfs/dbraw/zinc/95/48/47/770954847.db2.gz WFIRQAMDEAJWDD-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513367 770954853 /nfs/dbraw/zinc/95/48/53/770954853.db2.gz WFIRQAMDEAJWDD-CVEARBPZSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611118 771017781 /nfs/dbraw/zinc/01/77/81/771017781.db2.gz HIRPQVOWTHHFQY-JKSUJKDBSA-N 2 2 314.433 1.441 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049611118 771017786 /nfs/dbraw/zinc/01/77/86/771017786.db2.gz HIRPQVOWTHHFQY-JKSUJKDBSA-N 2 2 314.433 1.441 20 30 DDEDLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001134498927 771028769 /nfs/dbraw/zinc/02/87/69/771028769.db2.gz RXKHORRLZCZXSV-AWEZNQCLSA-N 2 2 311.389 1.612 20 30 DDEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853307 771753029 /nfs/dbraw/zinc/75/30/29/771753029.db2.gz VFOHQEGHPPXYSZ-UONOGXRCSA-N 2 2 311.389 1.387 20 30 DDEDLP C[NH+](C)C=Cc1ccncc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171260552 772759649 /nfs/dbraw/zinc/75/96/49/772759649.db2.gz IYUIVUHZULKULV-CSKARUKUSA-N 2 2 309.373 1.750 20 30 DDEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706227 772922755 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AFAPQBDRBKMXJP-BDXSIMOUSA-N 2 2 311.429 1.644 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111463137 774738138 /nfs/dbraw/zinc/73/81/38/774738138.db2.gz AFAPQBDRBKMXJP-BDXSIMOUSA-N 2 2 311.429 1.644 20 30 DDEDLP C=CCOCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528397 776276134 /nfs/dbraw/zinc/27/61/34/776276134.db2.gz AMFOKDQSMVLUQU-UHFFFAOYSA-N 2 2 320.437 1.040 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171596111 776362411 /nfs/dbraw/zinc/36/24/11/776362411.db2.gz KLZXGTHXYJRWIX-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302898 776743611 /nfs/dbraw/zinc/74/36/11/776743611.db2.gz RYLPQKLBIWIPSS-BBRMVZONSA-N 2 2 303.406 1.749 20 30 DDEDLP N#CCC1CCC(n2c[nH+]cc2CCNC(=O)CC[NH3+])CC1 ZINC001173329016 777114228 /nfs/dbraw/zinc/11/42/28/777114228.db2.gz YARJXSYNJGVIHV-UHFFFAOYSA-N 2 2 303.410 1.536 20 30 DDEDLP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179629884 779442346 /nfs/dbraw/zinc/44/23/46/779442346.db2.gz CRCDLPJNHDVPOL-HUUCEWRRSA-N 2 2 304.438 1.976 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885246 779537856 /nfs/dbraw/zinc/53/78/56/779537856.db2.gz HPNZDRMHHXSDGJ-BQFCYCMXSA-N 2 2 314.433 1.828 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885246 779537859 /nfs/dbraw/zinc/53/78/59/779537859.db2.gz HPNZDRMHHXSDGJ-BQFCYCMXSA-N 2 2 314.433 1.828 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598383 837526960 /nfs/dbraw/zinc/52/69/60/837526960.db2.gz XINOPPVUQHOECE-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001279598383 837526967 /nfs/dbraw/zinc/52/69/67/837526967.db2.gz XINOPPVUQHOECE-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CCC[N@H+](CC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266392067 836199009 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/nfs/dbraw/zinc/70/94/96/870709496.db2.gz ZCHMUWNHVKBXKT-HOTGVXAUSA-N 2 2 314.433 1.393 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787981 871502035 /nfs/dbraw/zinc/50/20/35/871502035.db2.gz HHUKRFCKNBGIBT-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787981 871502047 /nfs/dbraw/zinc/50/20/47/871502047.db2.gz HHUKRFCKNBGIBT-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537240 871617005 /nfs/dbraw/zinc/61/70/05/871617005.db2.gz LJQIAWJQRJQVKJ-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553326 871625042 /nfs/dbraw/zinc/62/50/42/871625042.db2.gz UMFOKQZXOSKAFA-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001318214008 871836540 /nfs/dbraw/zinc/83/65/40/871836540.db2.gz BFAWAYZADKVRJU-ROUUACIJSA-N 2 2 311.429 1.079 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001318214008 871836546 /nfs/dbraw/zinc/83/65/46/871836546.db2.gz BFAWAYZADKVRJU-ROUUACIJSA-N 2 2 311.429 1.079 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001318214008 871836558 /nfs/dbraw/zinc/83/65/58/871836558.db2.gz BFAWAYZADKVRJU-ROUUACIJSA-N 2 2 311.429 1.079 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCc1ccccc1 ZINC001318214008 871836573 /nfs/dbraw/zinc/83/65/73/871836573.db2.gz BFAWAYZADKVRJU-ROUUACIJSA-N 2 2 311.429 1.079 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325468 872213924 /nfs/dbraw/zinc/21/39/24/872213924.db2.gz JRUGKAZQEIXLQD-HUUCEWRRSA-N 2 2 302.422 1.538 20 30 DDEDLP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001276664472 875056087 /nfs/dbraw/zinc/05/60/87/875056087.db2.gz BKPIWCNZIIKNOU-KFWWJZLASA-N 2 2 302.422 1.584 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001379810029 878082148 /nfs/dbraw/zinc/08/21/48/878082148.db2.gz SJTKJZWYCCJFDU-GFCCVEGCSA-N 2 2 317.418 1.453 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001379810029 878082168 /nfs/dbraw/zinc/08/21/68/878082168.db2.gz SJTKJZWYCCJFDU-GFCCVEGCSA-N 2 2 317.418 1.453 20 30 DDEDLP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277663541 886360841 /nfs/dbraw/zinc/36/08/41/886360841.db2.gz ZHCSEAMTNVYZBJ-DOTOQJQBSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277663323 886361042 /nfs/dbraw/zinc/36/10/42/886361042.db2.gz VMIWSLHRPOWQPL-RDJZCZTQSA-N 2 2 316.449 1.848 20 30 DDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001235002700 888326319 /nfs/dbraw/zinc/32/63/19/888326319.db2.gz DLALACIYACTFGR-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001235002700 888326332 /nfs/dbraw/zinc/32/63/32/888326332.db2.gz DLALACIYACTFGR-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001235002700 888326345 /nfs/dbraw/zinc/32/63/45/888326345.db2.gz DLALACIYACTFGR-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001235002700 888326357 /nfs/dbraw/zinc/32/63/57/888326357.db2.gz DLALACIYACTFGR-DLBZAZTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252463140 895173098 /nfs/dbraw/zinc/17/30/98/895173098.db2.gz LRSQPWNDZGHCCF-OKZBNKHCSA-N 2 2 317.433 1.009 20 30 DDEDLP C=CC[C@@](C)([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)OC ZINC001256687631 897541360 /nfs/dbraw/zinc/54/13/60/897541360.db2.gz DLCYGSNBAUHRDM-VMBOVVBDSA-N 2 2 310.438 1.727 20 30 DDEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001264553384 901181177 /nfs/dbraw/zinc/18/11/77/901181177.db2.gz KMUBPLMUWHAYQA-OAGGEKHMSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001265540638 902114357 /nfs/dbraw/zinc/11/43/57/902114357.db2.gz YJEKJPCHZZBIFC-DVOMOZLQSA-N 2 2 317.437 1.603 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001265540638 902114369 /nfs/dbraw/zinc/11/43/69/902114369.db2.gz YJEKJPCHZZBIFC-DVOMOZLQSA-N 2 2 317.437 1.603 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265632972 902226212 /nfs/dbraw/zinc/22/62/12/902226212.db2.gz LORAMPOUIHNMAU-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001392061486 903201663 /nfs/dbraw/zinc/20/16/63/903201663.db2.gz IPWDYPXPQIDZLH-ZDUSSCGKSA-N 2 2 324.856 1.951 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001280457985 903700928 /nfs/dbraw/zinc/70/09/28/903700928.db2.gz IKDVLIBLFADCAQ-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001392786591 905255328 /nfs/dbraw/zinc/25/53/28/905255328.db2.gz UKCNPRLPZAUQTQ-DZGCQCFKSA-N 2 2 322.840 1.682 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001281967255 905375972 /nfs/dbraw/zinc/37/59/72/905375972.db2.gz CXLBJSDOVLUVBA-INIZCTEOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001281967255 905375986 /nfs/dbraw/zinc/37/59/86/905375986.db2.gz CXLBJSDOVLUVBA-INIZCTEOSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001282337960 905699840 /nfs/dbraw/zinc/69/98/40/905699840.db2.gz QTBBFMQMXXRYMX-UHFFFAOYSA-N 2 2 304.438 1.785 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001284026608 908338523 /nfs/dbraw/zinc/33/85/23/908338523.db2.gz QOVGDMHLYIVRFA-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001376617304 918880626 /nfs/dbraw/zinc/88/06/26/918880626.db2.gz MJINURCPKJBJBC-JOCQHMNTSA-N 2 2 310.829 1.969 20 30 DDEDLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000330604341 529778851 /nfs/dbraw/zinc/77/88/51/529778851.db2.gz YBUSBCAKJWNLNQ-KGLIPLIRSA-N 2 2 305.426 1.634 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000066922242 353025059 /nfs/dbraw/zinc/02/50/59/353025059.db2.gz SIIOLQAHMJHSCS-UHFFFAOYSA-N 2 2 322.412 1.834 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718577 353211555 /nfs/dbraw/zinc/21/15/55/353211555.db2.gz LNVVOWYRZNRMFL-IAGOWNOFSA-N 2 2 320.481 1.802 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718577 353211560 /nfs/dbraw/zinc/21/15/60/353211560.db2.gz LNVVOWYRZNRMFL-IAGOWNOFSA-N 2 2 320.481 1.802 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000592184747 355528774 /nfs/dbraw/zinc/52/87/74/355528774.db2.gz OVWGLHALJLJOAH-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000592184747 355528777 /nfs/dbraw/zinc/52/87/77/355528777.db2.gz OVWGLHALJLJOAH-UHFFFAOYSA-N 2 2 303.381 1.994 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000602565306 359047464 /nfs/dbraw/zinc/04/74/64/359047464.db2.gz AJKAQTYJIUQHRW-MSOLQXFVSA-N 2 2 314.433 1.811 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258421 360278962 /nfs/dbraw/zinc/27/89/62/360278962.db2.gz UPUCPORIKQDZTQ-KRWDZBQOSA-N 2 2 323.400 1.708 20 30 DDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609258421 360278966 /nfs/dbraw/zinc/27/89/66/360278966.db2.gz UPUCPORIKQDZTQ-KRWDZBQOSA-N 2 2 323.400 1.708 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168450 223082463 /nfs/dbraw/zinc/08/24/63/223082463.db2.gz AWOMKTJMEVHPLW-BFHYXJOUSA-N 2 2 305.426 1.574 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168450 223082466 /nfs/dbraw/zinc/08/24/66/223082466.db2.gz AWOMKTJMEVHPLW-BFHYXJOUSA-N 2 2 305.426 1.574 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475025 285395971 /nfs/dbraw/zinc/39/59/71/285395971.db2.gz LEBJLWGJCFXGGZ-JLJPHGGASA-N 2 2 306.454 1.599 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475025 285395973 /nfs/dbraw/zinc/39/59/73/285395973.db2.gz LEBJLWGJCFXGGZ-JLJPHGGASA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475025 285395974 /nfs/dbraw/zinc/39/59/74/285395974.db2.gz LEBJLWGJCFXGGZ-JLJPHGGASA-N 2 2 306.454 1.599 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1C ZINC000331475025 285395976 /nfs/dbraw/zinc/39/59/76/285395976.db2.gz LEBJLWGJCFXGGZ-JLJPHGGASA-N 2 2 306.454 1.599 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C[NH3+])C1 ZINC000579809576 422835537 /nfs/dbraw/zinc/83/55/37/422835537.db2.gz OOKZDUDSOQBSBI-NSHDSACASA-N 2 2 307.785 1.318 20 30 DDEDLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000113516218 407510778 /nfs/dbraw/zinc/51/07/78/407510778.db2.gz JVMCBIKTMCGEPI-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1(C#N)CCCCC1 ZINC000113516218 407510786 /nfs/dbraw/zinc/51/07/86/407510786.db2.gz JVMCBIKTMCGEPI-OAHLLOKOSA-N 2 2 306.454 1.555 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129522752 407617012 /nfs/dbraw/zinc/61/70/12/407617012.db2.gz ICWTZXALMVLQBC-RDBSUJKOSA-N 2 2 319.409 1.166 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129522752 407617018 /nfs/dbraw/zinc/61/70/18/407617018.db2.gz ICWTZXALMVLQBC-RDBSUJKOSA-N 2 2 319.409 1.166 20 30 DDEDLP C#CCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179141357 407733353 /nfs/dbraw/zinc/73/33/53/407733353.db2.gz MFRSIAOHITWNAG-SJPCQFCGSA-N 2 2 318.465 1.352 20 30 DDEDLP C#CCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179141357 407733359 /nfs/dbraw/zinc/73/33/59/407733359.db2.gz MFRSIAOHITWNAG-SJPCQFCGSA-N 2 2 318.465 1.352 20 30 DDEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000267242314 407804893 /nfs/dbraw/zinc/80/48/93/407804893.db2.gz FGUFVXNSFSZLOT-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000267242314 407804900 /nfs/dbraw/zinc/80/49/00/407804900.db2.gz FGUFVXNSFSZLOT-UHFFFAOYSA-N 2 2 305.447 1.347 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877987 407902111 /nfs/dbraw/zinc/90/21/11/407902111.db2.gz KEPUFJJQJOQXGR-INIZCTEOSA-N 2 2 306.454 1.556 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877987 407902123 /nfs/dbraw/zinc/90/21/23/407902123.db2.gz KEPUFJJQJOQXGR-INIZCTEOSA-N 2 2 306.454 1.556 20 30 DDEDLP CN(C)C(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181640854 408021595 /nfs/dbraw/zinc/02/15/95/408021595.db2.gz FWTZUFBBIVUNTK-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000150839217 408207677 /nfs/dbraw/zinc/20/76/77/408207677.db2.gz FZZPXGTVXFIZAS-PBHICJAKSA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000150839217 408207684 /nfs/dbraw/zinc/20/76/84/408207684.db2.gz FZZPXGTVXFIZAS-PBHICJAKSA-N 2 2 304.438 1.213 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354946411 410195417 /nfs/dbraw/zinc/19/54/17/410195417.db2.gz JFXVHINPAIKFDM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354946411 410195422 /nfs/dbraw/zinc/19/54/22/410195422.db2.gz JFXVHINPAIKFDM-HOTGVXAUSA-N 2 2 323.481 1.595 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000329741519 410428057 /nfs/dbraw/zinc/42/80/57/410428057.db2.gz OROULTWLLMNZGH-CHWSQXEVSA-N 2 2 301.394 1.127 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000329741519 410428062 /nfs/dbraw/zinc/42/80/62/410428062.db2.gz OROULTWLLMNZGH-CHWSQXEVSA-N 2 2 301.394 1.127 20 30 DDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352463297 410659176 /nfs/dbraw/zinc/65/91/76/410659176.db2.gz IYVHHESVKLAQBT-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352463297 410659182 /nfs/dbraw/zinc/65/91/82/410659182.db2.gz IYVHHESVKLAQBT-UHFFFAOYSA-N 2 2 301.434 1.839 20 30 DDEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246556352 222223302 /nfs/dbraw/zinc/22/33/02/222223302.db2.gz WXXADKKEEXJRRA-JYJNAYRXSA-N 2 2 309.454 1.110 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246958357 222226127 /nfs/dbraw/zinc/22/61/27/222226127.db2.gz FYXAYDCFXPLPRH-IAGOWNOFSA-N 2 2 320.481 1.945 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246958357 222226131 /nfs/dbraw/zinc/22/61/31/222226131.db2.gz FYXAYDCFXPLPRH-IAGOWNOFSA-N 2 2 320.481 1.945 20 30 DDEDLP C[NH+]=C(NC[C@]1(C)CCOC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262022612 222270905 /nfs/dbraw/zinc/27/09/05/222270905.db2.gz ZCUYKEZXJHMPMI-UXLLHSPISA-N 2 2 319.453 1.768 20 30 DDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCCCCC1 ZINC000263082159 222302738 /nfs/dbraw/zinc/30/27/38/222302738.db2.gz HWOFBSBUYXKFIW-UHFFFAOYSA-N 2 2 324.469 1.059 20 30 DDEDLP CN(C)c1nc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc[nH+]1 ZINC000407988486 418780743 /nfs/dbraw/zinc/78/07/43/418780743.db2.gz FILNDHPOGCBQSE-KBPBESRZSA-N 2 2 300.410 1.357 20 30 DDEDLP Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425242935 228397921 /nfs/dbraw/zinc/39/79/21/228397921.db2.gz SJOFNVSDUHQCDF-GJZGRUSLSA-N 2 2 302.422 1.985 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516781284 421567792 /nfs/dbraw/zinc/56/77/92/421567792.db2.gz GUMCNNHAZRLEBS-AWEZNQCLSA-N 2 2 303.410 1.121 20 30 DDEDLP C[NH+]1CCC(CNc2cc(C#N)ncn2)([NH+]2CCCCC2)CC1 ZINC000530515876 421603873 /nfs/dbraw/zinc/60/38/73/421603873.db2.gz GMFAIDLFYHSUMI-UHFFFAOYSA-N 2 2 314.437 1.710 20 30 DDEDLP C=CC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000636988839 421937470 /nfs/dbraw/zinc/93/74/70/421937470.db2.gz YXOYDACSXQPGLD-OAHLLOKOSA-N 2 2 308.470 1.620 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344548108 268073640 /nfs/dbraw/zinc/07/36/40/268073640.db2.gz MZTFEFHSSMGZKJ-GOSISDBHSA-N 2 2 311.385 1.878 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344548108 268073642 /nfs/dbraw/zinc/07/36/42/268073642.db2.gz MZTFEFHSSMGZKJ-GOSISDBHSA-N 2 2 311.385 1.878 20 30 DDEDLP N#Cc1csc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000353665153 268320672 /nfs/dbraw/zinc/32/06/72/268320672.db2.gz JIFQRNGHJVWZAU-UHFFFAOYSA-N 2 2 321.450 1.097 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332317163 289041757 /nfs/dbraw/zinc/04/17/57/289041757.db2.gz NSJKTNIFXBFQRV-HUUCEWRRSA-N 2 2 319.453 1.243 20 30 DDEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332317163 289041759 /nfs/dbraw/zinc/04/17/59/289041759.db2.gz NSJKTNIFXBFQRV-HUUCEWRRSA-N 2 2 319.453 1.243 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547630994 341224163 /nfs/dbraw/zinc/22/41/63/341224163.db2.gz CFJPTMDOHKXZLY-AWEZNQCLSA-N 2 2 303.410 1.148 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329723148 534764188 /nfs/dbraw/zinc/76/41/88/534764188.db2.gz FJZAYGRYUHAJEW-CHWSQXEVSA-N 2 2 314.393 1.542 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000494872084 526432844 /nfs/dbraw/zinc/43/28/44/526432844.db2.gz FBALNUAZFHRCKD-INIZCTEOSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000494872084 526432848 /nfs/dbraw/zinc/43/28/48/526432848.db2.gz FBALNUAZFHRCKD-INIZCTEOSA-N 2 2 324.469 1.047 20 30 DDEDLP C#C[C@@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491707631 527201630 /nfs/dbraw/zinc/20/16/30/527201630.db2.gz GSDHPERLKDRWFS-MRXNPFEDSA-N 2 2 320.481 1.600 20 30 DDEDLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330847139 527385043 /nfs/dbraw/zinc/38/50/43/527385043.db2.gz VEPHTORIRXCKBV-NSHDSACASA-N 2 2 307.398 1.416 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@H](C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186692 529019142 /nfs/dbraw/zinc/01/91/42/529019142.db2.gz JYIIWCJOEHSVQA-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@H+]1CCC[C@H](C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186692 529019147 /nfs/dbraw/zinc/01/91/47/529019147.db2.gz JYIIWCJOEHSVQA-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@@H+]1CCC[C@H](CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186692 529019149 /nfs/dbraw/zinc/01/91/49/529019149.db2.gz JYIIWCJOEHSVQA-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)[N@H+]1CCC[C@H](CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330186692 529019152 /nfs/dbraw/zinc/01/91/52/529019152.db2.gz JYIIWCJOEHSVQA-CABCVRRESA-N 2 2 319.453 1.822 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980210360 696708744 /nfs/dbraw/zinc/70/87/44/696708744.db2.gz XTLOWMMKZSJZFR-XHSDSOJGSA-N 2 2 314.433 1.203 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980210360 696708745 /nfs/dbraw/zinc/70/87/45/696708745.db2.gz XTLOWMMKZSJZFR-XHSDSOJGSA-N 2 2 314.433 1.203 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402190 695240971 /nfs/dbraw/zinc/24/09/71/695240971.db2.gz OQAIADLPTXUJLM-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402190 695240974 /nfs/dbraw/zinc/24/09/74/695240974.db2.gz OQAIADLPTXUJLM-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402190 695240976 /nfs/dbraw/zinc/24/09/76/695240976.db2.gz OQAIADLPTXUJLM-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402190 695240977 /nfs/dbraw/zinc/24/09/77/695240977.db2.gz OQAIADLPTXUJLM-FUHWJXTLSA-N 2 2 321.465 1.350 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771129 695731075 /nfs/dbraw/zinc/73/10/75/695731075.db2.gz WYBWDZCIXZUAOF-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000974771129 695731077 /nfs/dbraw/zinc/73/10/77/695731077.db2.gz WYBWDZCIXZUAOF-HNNXBMFYSA-N 2 2 318.421 1.200 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998849 695775284 /nfs/dbraw/zinc/77/52/84/695775284.db2.gz WBUVMDZLPBACKI-CQSZACIVSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998849 695775285 /nfs/dbraw/zinc/77/52/85/695775285.db2.gz WBUVMDZLPBACKI-CQSZACIVSA-N 2 2 313.873 1.907 20 30 DDEDLP CC(C)CCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104154399 696618689 /nfs/dbraw/zinc/61/86/89/696618689.db2.gz FXOFNDFHNVYCDG-UHFFFAOYSA-N 2 2 310.486 1.972 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000981165821 697023962 /nfs/dbraw/zinc/02/39/62/697023962.db2.gz GSSRGZDLWPBCHK-HUUCEWRRSA-N 2 2 303.406 1.836 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986296647 697770535 /nfs/dbraw/zinc/77/05/35/697770535.db2.gz SAYHHLIDTCFLOS-ZFWWWQNUSA-N 2 2 302.422 1.527 20 30 DDEDLP CCC(CC)[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCOCC1 ZINC000303777058 698606314 /nfs/dbraw/zinc/60/63/14/698606314.db2.gz IMFVCRQURDVZHI-MRXNPFEDSA-N 2 2 310.486 1.924 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000303791114 698607194 /nfs/dbraw/zinc/60/71/94/698607194.db2.gz WZZDSGLHARQUQJ-INIZCTEOSA-N 2 2 322.453 1.629 20 30 DDEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801583517 700324057 /nfs/dbraw/zinc/32/40/57/700324057.db2.gz ZKYBURCKAVOXBC-QGZVFWFLSA-N 2 2 313.445 1.626 20 30 DDEDLP C#CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801583517 700324060 /nfs/dbraw/zinc/32/40/60/700324060.db2.gz ZKYBURCKAVOXBC-QGZVFWFLSA-N 2 2 313.445 1.626 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2OCCCO2)cc1 ZINC000760443550 700808501 /nfs/dbraw/zinc/80/85/01/700808501.db2.gz PRDVUHYWGAVRIF-UHFFFAOYSA-N 2 2 307.394 1.538 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000764480067 700973131 /nfs/dbraw/zinc/97/31/31/700973131.db2.gz PWIHGGZJTKLEPZ-UHFFFAOYSA-N 2 2 317.433 1.457 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NC3CC3)cc2)CC1 ZINC000771555587 701323111 /nfs/dbraw/zinc/32/31/11/701323111.db2.gz NQCJVQPPRLYDHZ-UHFFFAOYSA-N 2 2 317.462 1.399 20 30 DDEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000814929223 701772753 /nfs/dbraw/zinc/77/27/53/701772753.db2.gz GBINCYXMUXZZOW-UHFFFAOYSA-N 2 2 300.410 1.948 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000814929223 701772756 /nfs/dbraw/zinc/77/27/56/701772756.db2.gz GBINCYXMUXZZOW-UHFFFAOYSA-N 2 2 300.410 1.948 20 30 DDEDLP C#CCOCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957898 703891232 /nfs/dbraw/zinc/89/12/32/703891232.db2.gz UADQEKWBQHEHKA-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP C#CCOCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957898 703891235 /nfs/dbraw/zinc/89/12/35/703891235.db2.gz UADQEKWBQHEHKA-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP C#CCOCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851957898 703891238 /nfs/dbraw/zinc/89/12/38/703891238.db2.gz UADQEKWBQHEHKA-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP C#CCOCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851957898 703891241 /nfs/dbraw/zinc/89/12/41/703891241.db2.gz UADQEKWBQHEHKA-SFHVURJKSA-N 2 2 302.418 1.205 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819024379 704053848 /nfs/dbraw/zinc/05/38/48/704053848.db2.gz PCDLSWCGWDRVEM-QGZVFWFLSA-N 2 2 320.433 1.977 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000819067090 704064589 /nfs/dbraw/zinc/06/45/89/704064589.db2.gz JXCHYJLDCNUIJI-DLBZAZTESA-N 2 2 317.433 1.912 20 30 DDEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000819067090 704064593 /nfs/dbraw/zinc/06/45/93/704064593.db2.gz JXCHYJLDCNUIJI-DLBZAZTESA-N 2 2 317.433 1.912 20 30 DDEDLP C#CCC(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667445 704100157 /nfs/dbraw/zinc/10/01/57/704100157.db2.gz XQYSQONYPDCOPR-UHFFFAOYSA-N 2 2 300.406 1.821 20 30 DDEDLP Cn1c[nH+]cc1CCO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853642400 704291925 /nfs/dbraw/zinc/29/19/25/704291925.db2.gz GTBLIMQEUJQBNY-UHFFFAOYSA-N 2 2 314.389 1.850 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1snc(Cl)c1C#N ZINC000853798481 704316887 /nfs/dbraw/zinc/31/68/87/704316887.db2.gz HPVYYPBJJFIDSA-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1snc(Cl)c1C#N ZINC000853798481 704316889 /nfs/dbraw/zinc/31/68/89/704316889.db2.gz HPVYYPBJJFIDSA-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000876716656 705835678 /nfs/dbraw/zinc/83/56/78/705835678.db2.gz JNQRNFANQNERCX-CYBMUJFWSA-N 2 2 308.813 1.768 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000876750491 705857096 /nfs/dbraw/zinc/85/70/96/705857096.db2.gz HQMRDPMVWYFTJS-UONOGXRCSA-N 2 2 315.845 1.170 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926864456 712914297 /nfs/dbraw/zinc/91/42/97/712914297.db2.gz HBBIRGWDUGJEDD-IAGOWNOFSA-N 2 2 322.497 1.701 20 30 DDEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000839383357 708045597 /nfs/dbraw/zinc/04/55/97/708045597.db2.gz ISYFCCHAQMXGPA-UHFFFAOYSA-N 2 2 302.422 1.495 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000923292251 714299118 /nfs/dbraw/zinc/29/91/18/714299118.db2.gz IRAQKHIMEQVJGT-CVEARBPZSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000923292251 714299122 /nfs/dbraw/zinc/29/91/22/714299122.db2.gz IRAQKHIMEQVJGT-CVEARBPZSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000957286355 715817378 /nfs/dbraw/zinc/81/73/78/715817378.db2.gz WAAJWDDLPSXJQQ-UHFFFAOYSA-N 2 2 302.422 1.870 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000939463037 716266997 /nfs/dbraw/zinc/26/69/97/716266997.db2.gz GIOWMINSLWUNMJ-CZUORRHYSA-N 2 2 311.389 1.503 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000964478623 717281263 /nfs/dbraw/zinc/28/12/63/717281263.db2.gz IMPHCSVSTANLHP-UHFFFAOYSA-N 2 2 310.829 1.995 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180230 717529646 /nfs/dbraw/zinc/52/96/46/717529646.db2.gz FNGWSSJLRVLYSG-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180230 717529649 /nfs/dbraw/zinc/52/96/49/717529649.db2.gz FNGWSSJLRVLYSG-GOEBONIOSA-N 2 2 316.449 1.777 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965087 718370801 /nfs/dbraw/zinc/37/08/01/718370801.db2.gz PXRYZGWXTHQDGB-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965087 718370802 /nfs/dbraw/zinc/37/08/02/718370802.db2.gz PXRYZGWXTHQDGB-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617393 718854621 /nfs/dbraw/zinc/85/46/21/718854621.db2.gz FUDBDYCZDXONAZ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617393 718854626 /nfs/dbraw/zinc/85/46/26/718854626.db2.gz FUDBDYCZDXONAZ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617393 718854632 /nfs/dbraw/zinc/85/46/32/718854632.db2.gz FUDBDYCZDXONAZ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617393 718854635 /nfs/dbraw/zinc/85/46/35/718854635.db2.gz FUDBDYCZDXONAZ-IYBDPMFKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315131 719115657 /nfs/dbraw/zinc/11/56/57/719115657.db2.gz NUJNICSLFJJWSQ-BBRMVZONSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315131 719115661 /nfs/dbraw/zinc/11/56/61/719115661.db2.gz NUJNICSLFJJWSQ-BBRMVZONSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561372 719547577 /nfs/dbraw/zinc/54/75/77/719547577.db2.gz KURCGDDQYZSGTN-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948561372 719547580 /nfs/dbraw/zinc/54/75/80/719547580.db2.gz KURCGDDQYZSGTN-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691518 720252304 /nfs/dbraw/zinc/25/23/04/720252304.db2.gz UHDVYPNZLLBGFJ-AEGPPILISA-N 2 2 313.873 1.906 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691518 720252306 /nfs/dbraw/zinc/25/23/06/720252306.db2.gz UHDVYPNZLLBGFJ-AEGPPILISA-N 2 2 313.873 1.906 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC000970338791 720718738 /nfs/dbraw/zinc/71/87/38/720718738.db2.gz HRNSHLKRTBABJU-ZDUSSCGKSA-N 2 2 303.406 1.415 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023446980 735239687 /nfs/dbraw/zinc/23/96/87/735239687.db2.gz CLUYWKNGEYMBSZ-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023446980 735239692 /nfs/dbraw/zinc/23/96/92/735239692.db2.gz CLUYWKNGEYMBSZ-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448965 735241248 /nfs/dbraw/zinc/24/12/48/735241248.db2.gz CQHKYOFDYKSHCU-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448965 735241252 /nfs/dbraw/zinc/24/12/52/735241252.db2.gz CQHKYOFDYKSHCU-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449769 735242293 /nfs/dbraw/zinc/24/22/93/735242293.db2.gz ZCNKGYWCGNULEP-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449769 735242296 /nfs/dbraw/zinc/24/22/96/735242296.db2.gz ZCNKGYWCGNULEP-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449490 735242355 /nfs/dbraw/zinc/24/23/55/735242355.db2.gz RFCBTFVTLPQBGQ-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449490 735242357 /nfs/dbraw/zinc/24/23/57/735242357.db2.gz RFCBTFVTLPQBGQ-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237859 736385425 /nfs/dbraw/zinc/38/54/25/736385425.db2.gz PIKKWSOWKXQKSK-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237859 736385427 /nfs/dbraw/zinc/38/54/27/736385427.db2.gz PIKKWSOWKXQKSK-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237859 736385430 /nfs/dbraw/zinc/38/54/30/736385430.db2.gz PIKKWSOWKXQKSK-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237859 736385432 /nfs/dbraw/zinc/38/54/32/736385432.db2.gz PIKKWSOWKXQKSK-IRXDYDNUSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255692 736395785 /nfs/dbraw/zinc/39/57/85/736395785.db2.gz SGZYWUIMIOFUKX-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255692 736395788 /nfs/dbraw/zinc/39/57/88/736395788.db2.gz SGZYWUIMIOFUKX-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001026293679 737309477 /nfs/dbraw/zinc/30/94/77/737309477.db2.gz HWPSHPMQRQAEJM-HRCADAONSA-N 2 2 316.449 1.939 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001026319824 737345300 /nfs/dbraw/zinc/34/53/00/737345300.db2.gz YGQNJKNQEJALMR-RRFJBIMHSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001026518562 737631132 /nfs/dbraw/zinc/63/11/32/737631132.db2.gz XRNNQNXBKXGPCA-NFOMZHRRSA-N 2 2 302.422 1.649 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001027245385 738125650 /nfs/dbraw/zinc/12/56/50/738125650.db2.gz UKUHQZAGELRKHT-QGZVFWFLSA-N 2 2 323.400 1.393 20 30 DDEDLP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885395 751416386 /nfs/dbraw/zinc/41/63/86/751416386.db2.gz OJYUQMZGUNWOLW-QLPKVWCKSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885395 751416388 /nfs/dbraw/zinc/41/63/88/751416388.db2.gz OJYUQMZGUNWOLW-QLPKVWCKSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638864 739829194 /nfs/dbraw/zinc/82/91/94/739829194.db2.gz PKPBBJLMINDOIM-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638864 739829199 /nfs/dbraw/zinc/82/91/99/739829199.db2.gz PKPBBJLMINDOIM-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640326 739832754 /nfs/dbraw/zinc/83/27/54/739832754.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640326 739832756 /nfs/dbraw/zinc/83/27/56/739832756.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640326 739832760 /nfs/dbraw/zinc/83/27/60/739832760.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640326 739832766 /nfs/dbraw/zinc/83/27/66/739832766.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 2 316.449 1.837 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088123777 741045928 /nfs/dbraw/zinc/04/59/28/741045928.db2.gz GQFSASCRQBLOFO-XHSDSOJGSA-N 2 2 302.422 1.801 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088123777 741045931 /nfs/dbraw/zinc/04/59/31/741045931.db2.gz GQFSASCRQBLOFO-XHSDSOJGSA-N 2 2 302.422 1.801 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001088391362 741457609 /nfs/dbraw/zinc/45/76/09/741457609.db2.gz JGUGDIYGBBMUBC-JKSUJKDBSA-N 2 2 302.422 1.828 20 30 DDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001089073889 744490811 /nfs/dbraw/zinc/49/08/11/744490811.db2.gz IADCFDIEEZJFDR-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001089073889 744490812 /nfs/dbraw/zinc/49/08/12/744490812.db2.gz IADCFDIEEZJFDR-PBHICJAKSA-N 2 2 323.400 1.534 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187993582 744644398 /nfs/dbraw/zinc/64/43/98/744644398.db2.gz CFQOIDCTINKFCM-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844515 751940695 /nfs/dbraw/zinc/94/06/95/751940695.db2.gz JTQQSVMCBYGEJD-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260632 745166143 /nfs/dbraw/zinc/16/61/43/745166143.db2.gz VMPXHYHCVIQWSM-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001190260632 745166147 /nfs/dbraw/zinc/16/61/47/745166147.db2.gz VMPXHYHCVIQWSM-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC000992867846 745252699 /nfs/dbraw/zinc/25/26/99/745252699.db2.gz BEYAKBKHXHIEJZ-SOUVJXGZSA-N 2 2 302.422 1.663 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212201215 745554309 /nfs/dbraw/zinc/55/43/09/745554309.db2.gz VRVWKRWPXUJNHY-RRFJBIMHSA-N 2 2 320.437 1.512 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212201215 745554311 /nfs/dbraw/zinc/55/43/11/745554311.db2.gz VRVWKRWPXUJNHY-RRFJBIMHSA-N 2 2 320.437 1.512 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342971 745616276 /nfs/dbraw/zinc/61/62/76/745616276.db2.gz KTRUSWIILGGOEA-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003192350 747054636 /nfs/dbraw/zinc/05/46/36/747054636.db2.gz HFQSPUXEVCBOJX-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199354752 747796274 /nfs/dbraw/zinc/79/62/74/747796274.db2.gz ZJOFXWOBXCOXDU-BZUAXINKSA-N 2 2 320.437 1.179 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199354752 747796278 /nfs/dbraw/zinc/79/62/78/747796278.db2.gz ZJOFXWOBXCOXDU-BZUAXINKSA-N 2 2 320.437 1.179 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802981 747882072 /nfs/dbraw/zinc/88/20/72/747882072.db2.gz JJFWFSUGOVKWJD-JONQDZQNSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089802981 747882079 /nfs/dbraw/zinc/88/20/79/747882079.db2.gz JJFWFSUGOVKWJD-JONQDZQNSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498499 748486475 /nfs/dbraw/zinc/48/64/75/748486475.db2.gz IHRFKCOQJZRNBE-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498499 748486478 /nfs/dbraw/zinc/48/64/78/748486478.db2.gz IHRFKCOQJZRNBE-KRWDZBQOSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871546 748515008 /nfs/dbraw/zinc/51/50/08/748515008.db2.gz ZSABPRJLWVTIOJ-SVGFKBNWSA-N 2 2 312.417 1.144 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089871546 748515014 /nfs/dbraw/zinc/51/50/14/748515014.db2.gz ZSABPRJLWVTIOJ-SVGFKBNWSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007698936 752280925 /nfs/dbraw/zinc/28/09/25/752280925.db2.gz KPEGBOSETSTANL-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001007698936 752280927 /nfs/dbraw/zinc/28/09/27/752280927.db2.gz KPEGBOSETSTANL-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007698936 752280930 /nfs/dbraw/zinc/28/09/30/752280930.db2.gz KPEGBOSETSTANL-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007698936 752280933 /nfs/dbraw/zinc/28/09/33/752280933.db2.gz KPEGBOSETSTANL-CABCVRRESA-N 2 2 314.433 1.427 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089880711 748670013 /nfs/dbraw/zinc/67/00/13/748670013.db2.gz NIPGLCSSWCUNSW-AJNGGQMLSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089880711 748670015 /nfs/dbraw/zinc/67/00/15/748670015.db2.gz NIPGLCSSWCUNSW-AJNGGQMLSA-N 2 2 300.406 1.307 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202207603 748712348 /nfs/dbraw/zinc/71/23/48/748712348.db2.gz AMCGNDQWKPRGLX-MRXNPFEDSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995925288 749291454 /nfs/dbraw/zinc/29/14/54/749291454.db2.gz QVUAHVIIFUNSKF-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC000995925288 749291458 /nfs/dbraw/zinc/29/14/58/749291458.db2.gz QVUAHVIIFUNSKF-UMVBOHGHSA-N 2 2 302.422 1.916 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089895392 749650991 /nfs/dbraw/zinc/65/09/91/749650991.db2.gz DGVAAJJELQGAEC-JKQORVJESA-N 2 2 312.417 1.063 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001089895392 749650993 /nfs/dbraw/zinc/65/09/93/749650993.db2.gz DGVAAJJELQGAEC-JKQORVJESA-N 2 2 312.417 1.063 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773392 749949962 /nfs/dbraw/zinc/94/99/62/749949962.db2.gz QVTUKDGIPHVPTN-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CCCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773392 749949964 /nfs/dbraw/zinc/94/99/64/749949964.db2.gz QVTUKDGIPHVPTN-OAHLLOKOSA-N 2 2 305.426 1.462 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876516 750012599 /nfs/dbraw/zinc/01/25/99/750012599.db2.gz VQSBSMZUQVFSMZ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876516 750012606 /nfs/dbraw/zinc/01/26/06/750012606.db2.gz VQSBSMZUQVFSMZ-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876567 750012968 /nfs/dbraw/zinc/01/29/68/750012968.db2.gz CAKZBYFWQFQAOI-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033876567 750012976 /nfs/dbraw/zinc/01/29/76/750012976.db2.gz CAKZBYFWQFQAOI-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116101 750390213 /nfs/dbraw/zinc/39/02/13/750390213.db2.gz ZTJYYDPXANNBST-QGZVFWFLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108116101 750390220 /nfs/dbraw/zinc/39/02/20/750390220.db2.gz ZTJYYDPXANNBST-QGZVFWFLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000996910442 750428528 /nfs/dbraw/zinc/42/85/28/750428528.db2.gz LIKMGRYDCSYUKR-KRWDZBQOSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000996910442 750428532 /nfs/dbraw/zinc/42/85/32/750428532.db2.gz LIKMGRYDCSYUKR-KRWDZBQOSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460402 762052786 /nfs/dbraw/zinc/05/27/86/762052786.db2.gz OHTQETXAYZOYEM-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460402 762052797 /nfs/dbraw/zinc/05/27/97/762052797.db2.gz OHTQETXAYZOYEM-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911111 750950302 /nfs/dbraw/zinc/95/03/02/750950302.db2.gz HKGLRTPDXZOVMO-YVSFHVDLSA-N 2 2 314.433 1.628 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911111 750950308 /nfs/dbraw/zinc/95/03/08/750950308.db2.gz HKGLRTPDXZOVMO-YVSFHVDLSA-N 2 2 314.433 1.628 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001036273224 752319791 /nfs/dbraw/zinc/31/97/91/752319791.db2.gz FBSNNGXVEFOVPG-MFKMUULPSA-N 2 2 310.829 1.840 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032665019 752654084 /nfs/dbraw/zinc/65/40/84/752654084.db2.gz VZUUWLHVCKAGOT-HOTGVXAUSA-N 2 2 314.433 1.705 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032665019 752654088 /nfs/dbraw/zinc/65/40/88/752654088.db2.gz VZUUWLHVCKAGOT-HOTGVXAUSA-N 2 2 314.433 1.705 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537698 752981408 /nfs/dbraw/zinc/98/14/08/752981408.db2.gz UBZUGCSNWWKPBE-KGLIPLIRSA-N 2 2 322.840 1.779 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000999872561 753221620 /nfs/dbraw/zinc/22/16/20/753221620.db2.gz FJSFADGERKKHGL-UHFFFAOYSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000999872561 753221626 /nfs/dbraw/zinc/22/16/26/753221626.db2.gz FJSFADGERKKHGL-UHFFFAOYSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107993534 753356732 /nfs/dbraw/zinc/35/67/32/753356732.db2.gz SFYRFWRGEBOVIZ-AEFFLSMTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107993534 753356737 /nfs/dbraw/zinc/35/67/37/753356737.db2.gz SFYRFWRGEBOVIZ-AEFFLSMTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993534 753356742 /nfs/dbraw/zinc/35/67/42/753356742.db2.gz SFYRFWRGEBOVIZ-AEFFLSMTSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107993534 753356745 /nfs/dbraw/zinc/35/67/45/753356745.db2.gz SFYRFWRGEBOVIZ-AEFFLSMTSA-N 2 2 323.481 1.642 20 30 DDEDLP N#Cc1ccc(-c2ccccc2)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067026 762216989 /nfs/dbraw/zinc/21/69/89/762216989.db2.gz LMRUCTHTSNUUOR-OAHLLOKOSA-N 2 2 319.368 1.668 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496037 753637867 /nfs/dbraw/zinc/63/78/67/753637867.db2.gz KLYUFCXFTKIWOD-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496037 753637871 /nfs/dbraw/zinc/63/78/71/753637871.db2.gz KLYUFCXFTKIWOD-OAGGEKHMSA-N 2 2 302.422 1.961 20 30 DDEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783585 753648752 /nfs/dbraw/zinc/64/87/52/753648752.db2.gz INPMYEFYXGBKDL-ROUUACIJSA-N 2 2 324.428 1.439 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783585 753648755 /nfs/dbraw/zinc/64/87/55/753648755.db2.gz INPMYEFYXGBKDL-ROUUACIJSA-N 2 2 324.428 1.439 20 30 DDEDLP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000876501 762289633 /nfs/dbraw/zinc/28/96/33/762289633.db2.gz HXWVJZAKWOXKAZ-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000876501 762289636 /nfs/dbraw/zinc/28/96/36/762289636.db2.gz HXWVJZAKWOXKAZ-INIZCTEOSA-N 2 2 314.433 1.770 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795433 756109511 /nfs/dbraw/zinc/10/95/11/756109511.db2.gz QGTZXFRZALJHLJ-UKRRQHHQSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795433 756109518 /nfs/dbraw/zinc/10/95/18/756109518.db2.gz QGTZXFRZALJHLJ-UKRRQHHQSA-N 2 2 300.406 1.221 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082700748 756895614 /nfs/dbraw/zinc/89/56/14/756895614.db2.gz QJDAYFWFPCOTJK-OIISXLGYSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082700748 756895618 /nfs/dbraw/zinc/89/56/18/756895618.db2.gz QJDAYFWFPCOTJK-OIISXLGYSA-N 2 2 321.465 1.252 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425004 762532064 /nfs/dbraw/zinc/53/20/64/762532064.db2.gz PGAKFHCXINICEI-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425004 762532066 /nfs/dbraw/zinc/53/20/66/762532066.db2.gz PGAKFHCXINICEI-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040469798 762547437 /nfs/dbraw/zinc/54/74/37/762547437.db2.gz DWNZRCYCUHPTTG-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040469798 762547442 /nfs/dbraw/zinc/54/74/42/762547442.db2.gz DWNZRCYCUHPTTG-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040508534 762569849 /nfs/dbraw/zinc/56/98/49/762569849.db2.gz 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ZINC001132781718 769189456 /nfs/dbraw/zinc/18/94/56/769189456.db2.gz FIJKUYQFJKYFSZ-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134668 769519667 /nfs/dbraw/zinc/51/96/67/769519667.db2.gz GANVKADIIAONLG-CABCVRRESA-N 2 2 320.437 1.229 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001133240971 769618623 /nfs/dbraw/zinc/61/86/23/769618623.db2.gz CSWQEEGROTWMNT-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048900648 770081725 /nfs/dbraw/zinc/08/17/25/770081725.db2.gz KVGDCCIDNRXIRR-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048900648 770081734 /nfs/dbraw/zinc/08/17/34/770081734.db2.gz KVGDCCIDNRXIRR-HRCADAONSA-N 2 2 314.433 1.412 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC001133664770 770119494 /nfs/dbraw/zinc/11/94/94/770119494.db2.gz ZNPGTKWWVZLATF-HNNXBMFYSA-N 2 2 323.400 1.607 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174521 770501198 /nfs/dbraw/zinc/50/11/98/770501198.db2.gz TXYFKIZSISYACA-OKILXGFUSA-N 2 2 302.422 1.654 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049174521 770501203 /nfs/dbraw/zinc/50/12/03/770501203.db2.gz TXYFKIZSISYACA-OKILXGFUSA-N 2 2 302.422 1.654 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449122 770851815 /nfs/dbraw/zinc/85/18/15/770851815.db2.gz XCZWQNOFAHJBTA-CABCVRRESA-N 2 2 300.406 1.431 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449122 770851827 /nfs/dbraw/zinc/85/18/27/770851827.db2.gz XCZWQNOFAHJBTA-CABCVRRESA-N 2 2 300.406 1.431 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476931 770904486 /nfs/dbraw/zinc/90/44/86/770904486.db2.gz CYYVKHUCWVGNFE-IRXDYDNUSA-N 2 2 322.412 1.955 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049476931 770904489 /nfs/dbraw/zinc/90/44/89/770904489.db2.gz CYYVKHUCWVGNFE-IRXDYDNUSA-N 2 2 322.412 1.955 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049868995 771220372 /nfs/dbraw/zinc/22/03/72/771220372.db2.gz AXLOYAGWLWLVEI-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049868995 771220376 /nfs/dbraw/zinc/22/03/76/771220376.db2.gz AXLOYAGWLWLVEI-HZPDHXFCSA-N 2 2 300.406 1.051 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001074718325 774083047 /nfs/dbraw/zinc/08/30/47/774083047.db2.gz JDKNOTKEKZTRBW-KKUMJFAQSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696379 774220010 /nfs/dbraw/zinc/22/00/10/774220010.db2.gz ROCVZDKLBHZKTP-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092696379 774220015 /nfs/dbraw/zinc/22/00/15/774220015.db2.gz ROCVZDKLBHZKTP-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696379 774220019 /nfs/dbraw/zinc/22/00/19/774220019.db2.gz ROCVZDKLBHZKTP-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092696379 774220024 /nfs/dbraw/zinc/22/00/24/774220024.db2.gz ROCVZDKLBHZKTP-KBUPBQIOSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734164 774426799 /nfs/dbraw/zinc/42/67/99/774426799.db2.gz NMESCKXGIBCBMO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734164 774426803 /nfs/dbraw/zinc/42/68/03/774426803.db2.gz NMESCKXGIBCBMO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734164 774426805 /nfs/dbraw/zinc/42/68/05/774426805.db2.gz NMESCKXGIBCBMO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734164 774426808 /nfs/dbraw/zinc/42/68/08/774426808.db2.gz NMESCKXGIBCBMO-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751053 774474473 /nfs/dbraw/zinc/47/44/73/774474473.db2.gz XJDZPKUAYLSAOZ-GUYCJALGSA-N 2 2 308.385 1.733 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751053 774474478 /nfs/dbraw/zinc/47/44/78/774474478.db2.gz XJDZPKUAYLSAOZ-GUYCJALGSA-N 2 2 308.385 1.733 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001093574100 774847431 /nfs/dbraw/zinc/84/74/31/774847431.db2.gz MQVMRNAYAFRMHH-INIZCTEOSA-N 2 2 309.454 1.204 20 30 DDEDLP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136180 775721550 /nfs/dbraw/zinc/72/15/50/775721550.db2.gz ITFOKFFJYGFJGD-HOTGVXAUSA-N 2 2 322.453 1.405 20 30 DDEDLP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136180 775721562 /nfs/dbraw/zinc/72/15/62/775721562.db2.gz ITFOKFFJYGFJGD-HOTGVXAUSA-N 2 2 322.453 1.405 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882344 775947907 /nfs/dbraw/zinc/94/79/07/775947907.db2.gz KLWHQYDWGMCQHH-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882344 775947918 /nfs/dbraw/zinc/94/79/18/775947918.db2.gz KLWHQYDWGMCQHH-NVXWUHKLSA-N 2 2 314.433 1.299 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910350 776079793 /nfs/dbraw/zinc/07/97/93/776079793.db2.gz RXCRTFAOZVGMRD-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910350 776079800 /nfs/dbraw/zinc/07/98/00/776079800.db2.gz RXCRTFAOZVGMRD-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001171917620 776518038 /nfs/dbraw/zinc/51/80/38/776518038.db2.gz AZMPABWGIVVIMS-SJORKVTESA-N 2 2 323.481 1.385 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001171917620 776518043 /nfs/dbraw/zinc/51/80/43/776518043.db2.gz AZMPABWGIVVIMS-SJORKVTESA-N 2 2 323.481 1.385 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084834 777862665 /nfs/dbraw/zinc/86/26/65/777862665.db2.gz LWCZMJDOAYMRGF-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084834 777862674 /nfs/dbraw/zinc/86/26/74/777862674.db2.gz LWCZMJDOAYMRGF-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179022672 779250021 /nfs/dbraw/zinc/25/00/21/779250021.db2.gz RVUIAMAMUCISEN-UXLLHSPISA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190127 779934473 /nfs/dbraw/zinc/93/44/73/779934473.db2.gz KAVYBSLVVYZVNJ-KBEGMRNHSA-N 2 2 316.449 1.754 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190127 779934477 /nfs/dbraw/zinc/93/44/77/779934477.db2.gz KAVYBSLVVYZVNJ-KBEGMRNHSA-N 2 2 316.449 1.754 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267184551 837489309 /nfs/dbraw/zinc/48/93/09/837489309.db2.gz AXTPIKSAJODQHS-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267184551 837489315 /nfs/dbraw/zinc/48/93/15/837489315.db2.gz AXTPIKSAJODQHS-CQSZACIVSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267204845 837530915 /nfs/dbraw/zinc/53/09/15/837530915.db2.gz NJXUOEFCMGFMSW-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267204845 837530921 /nfs/dbraw/zinc/53/09/21/837530921.db2.gz NJXUOEFCMGFMSW-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296554 837773827 /nfs/dbraw/zinc/77/38/27/837773827.db2.gz PSZZIPJTEXTHDS-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296554 837773834 /nfs/dbraw/zinc/77/38/34/837773834.db2.gz PSZZIPJTEXTHDS-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267304286 837791014 /nfs/dbraw/zinc/79/10/14/837791014.db2.gz XQZGUVFPFVQOGE-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267304286 837791023 /nfs/dbraw/zinc/79/10/23/837791023.db2.gz XQZGUVFPFVQOGE-ARFHVFGLSA-N 2 2 316.449 1.928 20 30 DDEDLP CC#CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001271799984 844116190 /nfs/dbraw/zinc/11/61/90/844116190.db2.gz OUHLSEGCYLNRTA-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001271799984 844116194 /nfs/dbraw/zinc/11/61/94/844116194.db2.gz OUHLSEGCYLNRTA-UHFFFAOYSA-N 2 2 302.422 1.467 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266745720 836767916 /nfs/dbraw/zinc/76/79/16/836767916.db2.gz HJCRLMOAKLZNKX-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770434 836807694 /nfs/dbraw/zinc/80/76/94/836807694.db2.gz VZXXEHNTDRFBID-MRXNPFEDSA-N 2 2 302.422 1.515 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770434 836807701 /nfs/dbraw/zinc/80/77/01/836807701.db2.gz VZXXEHNTDRFBID-MRXNPFEDSA-N 2 2 302.422 1.515 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266896466 837019099 /nfs/dbraw/zinc/01/90/99/837019099.db2.gz BBUZMNNJSNXFNT-IAGOWNOFSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266896466 837019111 /nfs/dbraw/zinc/01/91/11/837019111.db2.gz BBUZMNNJSNXFNT-IAGOWNOFSA-N 2 2 316.449 1.903 20 30 DDEDLP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267064131 837276575 /nfs/dbraw/zinc/27/65/75/837276575.db2.gz CRMQCLKKPXEXQA-CQSZACIVSA-N 2 2 320.437 1.328 20 30 DDEDLP CC#CC[NH+]1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267687043 838639659 /nfs/dbraw/zinc/63/96/59/838639659.db2.gz XTIAYQWMCPLUIN-INIZCTEOSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001267965401 839284176 /nfs/dbraw/zinc/28/41/76/839284176.db2.gz DVFBMGBWZPEBGJ-MRXNPFEDSA-N 2 2 312.417 1.952 20 30 DDEDLP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267993415 839343192 /nfs/dbraw/zinc/34/31/92/839343192.db2.gz YEMBSHPPFPKQHK-LSDHHAIUSA-N 2 2 304.438 1.754 20 30 DDEDLP C#CCC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268364762 840063615 /nfs/dbraw/zinc/06/36/15/840063615.db2.gz AMWAWGBHENXOAD-XJKSGUPXSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268364762 840063626 /nfs/dbraw/zinc/06/36/26/840063626.db2.gz AMWAWGBHENXOAD-XJKSGUPXSA-N 2 2 317.437 1.298 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001268617975 840586481 /nfs/dbraw/zinc/58/64/81/840586481.db2.gz LNDVXUWSAFAULK-AATRIKPKSA-N 2 2 322.412 1.574 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268888110 840949591 /nfs/dbraw/zinc/94/95/91/840949591.db2.gz NPNQONYDEBBUKS-KGLIPLIRSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001268888110 840949597 /nfs/dbraw/zinc/94/95/97/840949597.db2.gz NPNQONYDEBBUKS-KGLIPLIRSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270228771 842404463 /nfs/dbraw/zinc/40/44/63/842404463.db2.gz PQFISIQCPRJTDJ-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599494 842707877 /nfs/dbraw/zinc/70/78/77/842707877.db2.gz HTKQOJUYNLHTEB-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270599494 842707885 /nfs/dbraw/zinc/70/78/85/842707885.db2.gz HTKQOJUYNLHTEB-CRAIPNDOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001326642801 861503325 /nfs/dbraw/zinc/50/33/25/861503325.db2.gz HITHJVACYLMSLZ-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001326642801 861503337 /nfs/dbraw/zinc/50/33/37/861503337.db2.gz HITHJVACYLMSLZ-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001326642801 861503347 /nfs/dbraw/zinc/50/33/47/861503347.db2.gz HITHJVACYLMSLZ-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001326642801 861503355 /nfs/dbraw/zinc/50/33/55/861503355.db2.gz HITHJVACYLMSLZ-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001272771872 847403513 /nfs/dbraw/zinc/40/35/13/847403513.db2.gz NUQYAXKBHXMTQK-KRWDZBQOSA-N 2 2 316.405 1.256 20 30 DDEDLP C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001272771872 847403520 /nfs/dbraw/zinc/40/35/20/847403520.db2.gz NUQYAXKBHXMTQK-KRWDZBQOSA-N 2 2 316.405 1.256 20 30 DDEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001273929195 851521949 /nfs/dbraw/zinc/52/19/49/851521949.db2.gz ICFUEJIKHXOPSI-KRWDZBQOSA-N 2 2 320.437 1.207 20 30 DDEDLP N#CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274043296 851885384 /nfs/dbraw/zinc/88/53/84/851885384.db2.gz PKIRKKBJQUDHOD-HZPDHXFCSA-N 2 2 315.421 1.642 20 30 DDEDLP N#CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274043296 851885386 /nfs/dbraw/zinc/88/53/86/851885386.db2.gz PKIRKKBJQUDHOD-HZPDHXFCSA-N 2 2 315.421 1.642 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001275166590 852853055 /nfs/dbraw/zinc/85/30/55/852853055.db2.gz AZEJCGUTPHOFRT-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001275166590 852853056 /nfs/dbraw/zinc/85/30/56/852853056.db2.gz AZEJCGUTPHOFRT-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)cc1C#N ZINC001275212560 852894828 /nfs/dbraw/zinc/89/48/28/852894828.db2.gz RXUAUBPHYJIGCA-ALOPSCKCSA-N 2 2 324.432 1.905 20 30 DDEDLP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)cc1C#N ZINC001275212560 852894832 /nfs/dbraw/zinc/89/48/32/852894832.db2.gz RXUAUBPHYJIGCA-ALOPSCKCSA-N 2 2 324.432 1.905 20 30 DDEDLP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277228446 883119449 /nfs/dbraw/zinc/11/94/49/883119449.db2.gz VFDBXNDNJLXFQJ-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001276128537 854800633 /nfs/dbraw/zinc/80/06/33/854800633.db2.gz GARIQODBEPTOME-NVXWUHKLSA-N 2 2 316.449 1.541 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1Cl ZINC001140809757 860703387 /nfs/dbraw/zinc/70/33/87/860703387.db2.gz GPIRDSWJDFDHRQ-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)c1Cl ZINC001140809757 860703392 /nfs/dbraw/zinc/70/33/92/860703392.db2.gz GPIRDSWJDFDHRQ-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001381384252 881640080 /nfs/dbraw/zinc/64/00/80/881640080.db2.gz UAGGCDPDNKAWIB-CHWSQXEVSA-N 2 2 324.856 1.997 20 30 DDEDLP C=CC[NH2+]CCCOC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001329786676 863853553 /nfs/dbraw/zinc/85/35/53/863853553.db2.gz NAGUQPPOMIDLFN-UHFFFAOYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747382 864096081 /nfs/dbraw/zinc/09/60/81/864096081.db2.gz DAZUULNSDWVGFI-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747382 864096098 /nfs/dbraw/zinc/09/60/98/864096098.db2.gz DAZUULNSDWVGFI-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747382 864096114 /nfs/dbraw/zinc/09/61/14/864096114.db2.gz DAZUULNSDWVGFI-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747382 864096127 /nfs/dbraw/zinc/09/61/27/864096127.db2.gz DAZUULNSDWVGFI-SJORKVTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001330464797 864371871 /nfs/dbraw/zinc/37/18/71/864371871.db2.gz BBPCCWGGYXPZPL-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001330464797 864371889 /nfs/dbraw/zinc/37/18/89/864371889.db2.gz BBPCCWGGYXPZPL-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158171781 864469840 /nfs/dbraw/zinc/46/98/40/864469840.db2.gz IMWNJYRMQLSJLX-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001158171781 864469845 /nfs/dbraw/zinc/46/98/45/864469845.db2.gz IMWNJYRMQLSJLX-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533957 864710307 /nfs/dbraw/zinc/71/03/07/864710307.db2.gz NUQAOFKKNSBRIG-MRXNPFEDSA-N 2 2 320.437 1.468 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533957 864710314 /nfs/dbraw/zinc/71/03/14/864710314.db2.gz NUQAOFKKNSBRIG-MRXNPFEDSA-N 2 2 320.437 1.468 20 30 DDEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821382 866132741 /nfs/dbraw/zinc/13/27/41/866132741.db2.gz FUIFDHZMGBCDFV-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821382 866132745 /nfs/dbraw/zinc/13/27/45/866132745.db2.gz FUIFDHZMGBCDFV-UHFFFAOYSA-N 2 2 302.422 1.988 20 30 DDEDLP C[NH+](C)C1(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)CCC1 ZINC001323733016 866804866 /nfs/dbraw/zinc/80/48/66/866804866.db2.gz BLTIBHRISVHQJN-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+](C)C1(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)CCC1 ZINC001323733016 866804886 /nfs/dbraw/zinc/80/48/86/866804886.db2.gz BLTIBHRISVHQJN-UHFFFAOYSA-N 2 2 318.465 1.697 20 30 DDEDLP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163012822 867997996 /nfs/dbraw/zinc/99/79/96/867997996.db2.gz AQWALMSPESBEEI-UHFFFAOYSA-N 2 2 312.417 1.730 20 30 DDEDLP C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013795 868000045 /nfs/dbraw/zinc/00/00/45/868000045.db2.gz XLAWTWFNCRERTQ-UHFFFAOYSA-N 2 2 324.428 1.567 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCC[C@@H]3CO)cc2F)CC1 ZINC001325667131 868232831 /nfs/dbraw/zinc/23/28/31/868232831.db2.gz NCPGTTHUERBVOR-OAHLLOKOSA-N 2 2 320.412 1.368 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496328 869234239 /nfs/dbraw/zinc/23/42/39/869234239.db2.gz QDFPLDKAZJKMRP-KRWDZBQOSA-N 2 2 323.481 1.692 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164496328 869234243 /nfs/dbraw/zinc/23/42/43/869234243.db2.gz QDFPLDKAZJKMRP-KRWDZBQOSA-N 2 2 323.481 1.692 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166422009 869991740 /nfs/dbraw/zinc/99/17/40/869991740.db2.gz BKGAWMUTNNEZQG-UHFFFAOYSA-N 2 2 322.412 1.995 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317325592 870646053 /nfs/dbraw/zinc/64/60/53/870646053.db2.gz HHOFKROJQDJOED-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317421438 870800133 /nfs/dbraw/zinc/80/01/33/870800133.db2.gz BIFIEPRSSGPGEC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317421438 870800148 /nfs/dbraw/zinc/80/01/48/870800148.db2.gz BIFIEPRSSGPGEC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317421438 870800161 /nfs/dbraw/zinc/80/01/61/870800161.db2.gz BIFIEPRSSGPGEC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317421438 870800166 /nfs/dbraw/zinc/80/01/66/870800166.db2.gz BIFIEPRSSGPGEC-RBSFLKMASA-N 2 2 300.406 1.507 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317326746 871159768 /nfs/dbraw/zinc/15/97/68/871159768.db2.gz RHKBHNXGSWTSQV-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001317675299 871382003 /nfs/dbraw/zinc/38/20/03/871382003.db2.gz LXRBNRFXDRKRGN-AWEZNQCLSA-N 2 2 310.401 1.798 20 30 DDEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001317720784 871441650 /nfs/dbraw/zinc/44/16/50/871441650.db2.gz MBVWUDJGMOWGBD-WMZOPIPTSA-N 2 2 322.412 1.526 20 30 DDEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317791104 871509154 /nfs/dbraw/zinc/50/91/54/871509154.db2.gz YYRQHBMCAHQNGE-HNNXBMFYSA-N 2 2 314.433 1.223 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317791104 871509184 /nfs/dbraw/zinc/50/91/84/871509184.db2.gz YYRQHBMCAHQNGE-HNNXBMFYSA-N 2 2 314.433 1.223 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733841 873512611 /nfs/dbraw/zinc/51/26/11/873512611.db2.gz JVVYZTJFDOYRSX-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733841 873512615 /nfs/dbraw/zinc/51/26/15/873512615.db2.gz JVVYZTJFDOYRSX-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC001346571217 873810454 /nfs/dbraw/zinc/81/04/54/873810454.db2.gz ZCLRXLVYYGSCAN-INIZCTEOSA-N 2 2 318.396 1.222 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210899469 875588792 /nfs/dbraw/zinc/58/87/92/875588792.db2.gz KFPYLPQHWNDKMT-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006381 876538263 /nfs/dbraw/zinc/53/82/63/876538263.db2.gz VKIFFFYPPNIEHF-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006381 876538275 /nfs/dbraw/zinc/53/82/75/876538275.db2.gz VKIFFFYPPNIEHF-SUYBPPKGSA-N 2 2 316.449 1.836 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226790 876616869 /nfs/dbraw/zinc/61/68/69/876616869.db2.gz SODFGISKBIZPDG-BRWVUGGUSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226790 876616874 /nfs/dbraw/zinc/61/68/74/876616874.db2.gz SODFGISKBIZPDG-BRWVUGGUSA-N 2 2 323.481 1.500 20 30 DDEDLP N#Cc1c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)sc2c1CCC2 ZINC001218545695 877556956 /nfs/dbraw/zinc/55/69/56/877556956.db2.gz MAIXBZCSXNFPFD-NSHDSACASA-N 2 2 301.375 1.340 20 30 DDEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220663656 879167376 /nfs/dbraw/zinc/16/73/76/879167376.db2.gz KDBNAUAVKKQIOB-DOMZBBRYSA-N 2 2 314.389 1.722 20 30 DDEDLP N#CC1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)Cc2ccccc2C1 ZINC001221370131 879722195 /nfs/dbraw/zinc/72/21/95/879722195.db2.gz PESKXMYTNWWIBU-KRWDZBQOSA-N 2 2 320.396 1.436 20 30 DDEDLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001222097757 880245648 /nfs/dbraw/zinc/24/56/48/880245648.db2.gz FLJFDKVUKLAECC-SFHVURJKSA-N 2 2 322.412 1.515 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223832756 881115469 /nfs/dbraw/zinc/11/54/69/881115469.db2.gz VULITOSHBYSHDR-UHFFFAOYSA-N 2 2 310.829 1.772 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228535272 883542948 /nfs/dbraw/zinc/54/29/48/883542948.db2.gz UXSAUUOVDKPTLL-UHFFFAOYSA-N 2 2 306.410 1.056 20 30 DDEDLP COCC#CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229386104 883954500 /nfs/dbraw/zinc/95/45/00/883954500.db2.gz XTLSRASUAGGMDC-OAHLLOKOSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558800 884045206 /nfs/dbraw/zinc/04/52/06/884045206.db2.gz 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20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001284239985 908712511 /nfs/dbraw/zinc/71/25/11/908712511.db2.gz AMIIVIYGZCWGPC-HUUCEWRRSA-N 2 2 302.422 1.251 20 30 DDEDLP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001284658382 909310212 /nfs/dbraw/zinc/31/02/12/909310212.db2.gz WCKTZRHBTAWAKC-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001284658382 909310226 /nfs/dbraw/zinc/31/02/26/909310226.db2.gz WCKTZRHBTAWAKC-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C=CCOCC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284700604 909371959 /nfs/dbraw/zinc/37/19/59/909371959.db2.gz ZCDWMVPOHLTJHD-CQSZACIVSA-N 2 2 320.437 1.372 20 30 DDEDLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1C ZINC000328995056 539300137 /nfs/dbraw/zinc/30/01/37/539300137.db2.gz UGUOHSNXEJMXPC-NSHDSACASA-N 2 2 302.382 1.402 20 30 DDEDLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329816513 539308023 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OFQVOALQSXKDNW-IRXDYDNUSA-N 2 2 321.465 1.254 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686374 408355307 /nfs/dbraw/zinc/35/53/07/408355307.db2.gz ASYHEJKYLSLVOW-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686374 408355311 /nfs/dbraw/zinc/35/53/11/408355311.db2.gz ASYHEJKYLSLVOW-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686374 408355315 /nfs/dbraw/zinc/35/53/15/408355315.db2.gz ASYHEJKYLSLVOW-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000158686374 408355320 /nfs/dbraw/zinc/35/53/20/408355320.db2.gz ASYHEJKYLSLVOW-HOTGVXAUSA-N 2 2 318.465 1.745 20 30 DDEDLP COCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281632978 408901343 /nfs/dbraw/zinc/90/13/43/408901343.db2.gz OLVHEAFNWWUJLG-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023363 409308579 /nfs/dbraw/zinc/30/85/79/409308579.db2.gz NWYLZCUDNGSSHN-AWEZNQCLSA-N 2 2 308.447 1.696 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000318255450 164030541 /nfs/dbraw/zinc/03/05/41/164030541.db2.gz AHUHQWOSFGLXBP-JKSUJKDBSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000318255450 164030544 /nfs/dbraw/zinc/03/05/44/164030544.db2.gz AHUHQWOSFGLXBP-JKSUJKDBSA-N 2 2 301.390 1.520 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000296456106 409566841 /nfs/dbraw/zinc/56/68/41/409566841.db2.gz PJIOLQKZVXFVTN-UHFFFAOYSA-N 2 2 303.410 1.138 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000296456106 409566844 /nfs/dbraw/zinc/56/68/44/409566844.db2.gz PJIOLQKZVXFVTN-UHFFFAOYSA-N 2 2 303.410 1.138 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328764171 409971740 /nfs/dbraw/zinc/97/17/40/409971740.db2.gz GEIRIJHBDIBSTE-HUUCEWRRSA-N 2 2 319.453 1.855 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328764171 409971748 /nfs/dbraw/zinc/97/17/48/409971748.db2.gz GEIRIJHBDIBSTE-HUUCEWRRSA-N 2 2 319.453 1.855 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298138430 410122748 /nfs/dbraw/zinc/12/27/48/410122748.db2.gz CSYCGVMVDWVSKJ-CYBMUJFWSA-N 2 2 305.426 1.722 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000298138430 410122757 /nfs/dbraw/zinc/12/27/57/410122757.db2.gz CSYCGVMVDWVSKJ-CYBMUJFWSA-N 2 2 305.426 1.722 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329329619 410237114 /nfs/dbraw/zinc/23/71/14/410237114.db2.gz YPEIQNWPVXUCIX-CQSZACIVSA-N 2 2 315.421 1.354 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329329619 410237118 /nfs/dbraw/zinc/23/71/18/410237118.db2.gz YPEIQNWPVXUCIX-CQSZACIVSA-N 2 2 315.421 1.354 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330190917 410579631 /nfs/dbraw/zinc/57/96/31/410579631.db2.gz MRTLFQWAYZKEKX-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330190917 410579637 /nfs/dbraw/zinc/57/96/37/410579637.db2.gz MRTLFQWAYZKEKX-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000359733118 410840479 /nfs/dbraw/zinc/84/04/79/410840479.db2.gz GEBNKCVMTTWPDY-IBGZPJMESA-N 2 2 324.428 1.623 20 30 DDEDLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000359733118 410840489 /nfs/dbraw/zinc/84/04/89/410840489.db2.gz GEBNKCVMTTWPDY-IBGZPJMESA-N 2 2 324.428 1.623 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000341135911 410887807 /nfs/dbraw/zinc/88/78/07/410887807.db2.gz YYSSFDNPWIYXCX-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000341135911 410887812 /nfs/dbraw/zinc/88/78/12/410887812.db2.gz YYSSFDNPWIYXCX-UHFFFAOYSA-N 2 2 311.389 1.393 20 30 DDEDLP Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000360343656 411129408 /nfs/dbraw/zinc/12/94/08/411129408.db2.gz MEMQTJBDQWHZNQ-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000360343656 411129410 /nfs/dbraw/zinc/12/94/10/411129410.db2.gz MEMQTJBDQWHZNQ-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367142308 418564768 /nfs/dbraw/zinc/56/47/68/418564768.db2.gz USMYBIJGGUCNGP-IAGOWNOFSA-N 2 2 320.481 1.945 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367142308 418564769 /nfs/dbraw/zinc/56/47/69/418564769.db2.gz USMYBIJGGUCNGP-IAGOWNOFSA-N 2 2 320.481 1.945 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1CC1 ZINC000261729291 222255633 /nfs/dbraw/zinc/25/56/33/222255633.db2.gz GZFVWLZDVHCLAP-UHFFFAOYSA-N 2 2 305.401 1.014 20 30 DDEDLP CC[C@@]1(C)CCN(C(NCC[N@@H+]2CCOC(C)(C)C2)=[NH+]C)C1 ZINC000261723924 222255818 /nfs/dbraw/zinc/25/58/18/222255818.db2.gz IQYYHXMEMOKDRB-KRWDZBQOSA-N 2 2 310.486 1.795 20 30 DDEDLP CC[C@@]1(C)CCN(C(NCC[N@H+]2CCOC(C)(C)C2)=[NH+]C)C1 ZINC000261723924 222255822 /nfs/dbraw/zinc/25/58/22/222255822.db2.gz IQYYHXMEMOKDRB-KRWDZBQOSA-N 2 2 310.486 1.795 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328597725 418606182 /nfs/dbraw/zinc/60/61/82/418606182.db2.gz ALGVVLCQMARGJW-ILXRZTDVSA-N 2 2 319.453 1.993 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328597725 418606187 /nfs/dbraw/zinc/60/61/87/418606187.db2.gz ALGVVLCQMARGJW-ILXRZTDVSA-N 2 2 319.453 1.993 20 30 DDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000263230187 222306098 /nfs/dbraw/zinc/30/60/98/222306098.db2.gz BZLZKPORIWARCS-OAHLLOKOSA-N 2 2 304.463 1.671 20 30 DDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000263230187 222306100 /nfs/dbraw/zinc/30/61/00/222306100.db2.gz BZLZKPORIWARCS-OAHLLOKOSA-N 2 2 304.463 1.671 20 30 DDEDLP COc1ccccc1CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000267447737 222385768 /nfs/dbraw/zinc/38/57/68/222385768.db2.gz QNGSKFCMFFWBCL-UHFFFAOYSA-N 2 2 308.451 1.148 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378065673 418718547 /nfs/dbraw/zinc/71/85/47/418718547.db2.gz AYJOCFRIVJSDQK-ZDUSSCGKSA-N 2 2 303.410 1.217 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378065673 418718549 /nfs/dbraw/zinc/71/85/49/418718549.db2.gz AYJOCFRIVJSDQK-ZDUSSCGKSA-N 2 2 303.410 1.217 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363709523 418768806 /nfs/dbraw/zinc/76/88/06/418768806.db2.gz CDEDLDICBJGZMD-QKPAOTATSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363709523 418768808 /nfs/dbraw/zinc/76/88/08/418768808.db2.gz CDEDLDICBJGZMD-QKPAOTATSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372222397 418846709 /nfs/dbraw/zinc/84/67/09/418846709.db2.gz NJYWUUJGVNMREA-OAHLLOKOSA-N 2 2 308.470 1.810 20 30 DDEDLP C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372222397 418846711 /nfs/dbraw/zinc/84/67/11/418846711.db2.gz NJYWUUJGVNMREA-OAHLLOKOSA-N 2 2 308.470 1.810 20 30 DDEDLP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000425242655 228398014 /nfs/dbraw/zinc/39/80/14/228398014.db2.gz CQZWJVFMQLNZHQ-GOSISDBHSA-N 2 2 322.412 1.862 20 30 DDEDLP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C#N)c[nH+]1 ZINC000425242655 228398017 /nfs/dbraw/zinc/39/80/17/228398017.db2.gz CQZWJVFMQLNZHQ-GOSISDBHSA-N 2 2 322.412 1.862 20 30 DDEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000514856417 421459781 /nfs/dbraw/zinc/45/97/81/421459781.db2.gz ZVUCPWFLCYRFPD-CVEARBPZSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)C[NH+](C)CCC#N)C1 ZINC000514856417 421459783 /nfs/dbraw/zinc/45/97/83/421459783.db2.gz ZVUCPWFLCYRFPD-CVEARBPZSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@H+](C)CCC#N)C1 ZINC000514856417 421459784 /nfs/dbraw/zinc/45/97/84/421459784.db2.gz ZVUCPWFLCYRFPD-CVEARBPZSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+](C)CCC#N)C1 ZINC000514856417 421459786 /nfs/dbraw/zinc/45/97/86/421459786.db2.gz ZVUCPWFLCYRFPD-CVEARBPZSA-N 2 2 310.486 1.293 20 30 DDEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000579108917 422706272 /nfs/dbraw/zinc/70/62/72/422706272.db2.gz KACJZCQTQVFKQB-UHFFFAOYSA-N 2 2 300.410 1.765 20 30 DDEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000579108917 422706275 /nfs/dbraw/zinc/70/62/75/422706275.db2.gz KACJZCQTQVFKQB-UHFFFAOYSA-N 2 2 300.410 1.765 20 30 DDEDLP C=CC[C@]1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CCC[NH2+]1 ZINC000662825113 424780234 /nfs/dbraw/zinc/78/02/34/424780234.db2.gz QQEHXTNHXYQZEK-GOSISDBHSA-N 2 2 312.417 2.000 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COCCO3)CC2)cc1 ZINC000344042870 268065460 /nfs/dbraw/zinc/06/54/60/268065460.db2.gz CPMIUOOOALQPEA-GOSISDBHSA-N 2 2 315.417 1.528 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526055673 333057847 /nfs/dbraw/zinc/05/78/47/333057847.db2.gz JZGKSMPWLAFROV-HOTGVXAUSA-N 2 2 318.465 1.888 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000526055673 333057848 /nfs/dbraw/zinc/05/78/48/333057848.db2.gz JZGKSMPWLAFROV-HOTGVXAUSA-N 2 2 318.465 1.888 20 30 DDEDLP C=C(Br)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370321 483932342 /nfs/dbraw/zinc/93/23/42/483932342.db2.gz QFAALKRIUYZDRN-AWEZNQCLSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370321 483932335 /nfs/dbraw/zinc/93/23/35/483932335.db2.gz QFAALKRIUYZDRN-AWEZNQCLSA-N 2 2 316.287 1.995 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980231881 696714283 /nfs/dbraw/zinc/71/42/83/696714283.db2.gz UBELQVOSIBENGH-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000980231881 696714287 /nfs/dbraw/zinc/71/42/87/696714287.db2.gz UBELQVOSIBENGH-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972495209 695265403 /nfs/dbraw/zinc/26/54/03/695265403.db2.gz YSMUBSLJGOLENL-SFHVURJKSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972495209 695265405 /nfs/dbraw/zinc/26/54/05/695265405.db2.gz YSMUBSLJGOLENL-SFHVURJKSA-N 2 2 321.465 1.350 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980180040 696701666 /nfs/dbraw/zinc/70/16/66/696701666.db2.gz ASAFMSOJGULVJK-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980180040 696701668 /nfs/dbraw/zinc/70/16/68/696701668.db2.gz ASAFMSOJGULVJK-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539307 696795528 /nfs/dbraw/zinc/79/55/28/696795528.db2.gz POVQWZCBERIMJE-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539307 696795529 /nfs/dbraw/zinc/79/55/29/696795529.db2.gz POVQWZCBERIMJE-KRWDZBQOSA-N 2 2 323.400 1.488 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982734648 697174381 /nfs/dbraw/zinc/17/43/81/697174381.db2.gz AUPFVSXKOPTRLF-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982734648 697174383 /nfs/dbraw/zinc/17/43/83/697174383.db2.gz AUPFVSXKOPTRLF-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799488888 700145245 /nfs/dbraw/zinc/14/52/45/700145245.db2.gz MIHBHTITSCOQBQ-UHFFFAOYSA-N 2 2 321.381 1.213 20 30 DDEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985510981 697522387 /nfs/dbraw/zinc/52/23/87/697522387.db2.gz ADWMCCOFEAAPCZ-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000985510981 697522390 /nfs/dbraw/zinc/52/23/90/697522390.db2.gz ADWMCCOFEAAPCZ-HNNXBMFYSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000985559369 697530488 /nfs/dbraw/zinc/53/04/88/697530488.db2.gz SFAOEXNIBHISAO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000985559369 697530489 /nfs/dbraw/zinc/53/04/89/697530489.db2.gz SFAOEXNIBHISAO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000985559369 697530492 /nfs/dbraw/zinc/53/04/92/697530492.db2.gz SFAOEXNIBHISAO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000985559369 697530495 /nfs/dbraw/zinc/53/04/95/697530495.db2.gz SFAOEXNIBHISAO-KRWDZBQOSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565175 698152073 /nfs/dbraw/zinc/15/20/73/698152073.db2.gz DMQXUXYTRGMUME-DZGCQCFKSA-N 2 2 317.458 1.318 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@H]1C ZINC000987565175 698152078 /nfs/dbraw/zinc/15/20/78/698152078.db2.gz DMQXUXYTRGMUME-DZGCQCFKSA-N 2 2 317.458 1.318 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988878320 698490299 /nfs/dbraw/zinc/49/02/99/698490299.db2.gz ZQYAKTWLSABPJG-CABCVRRESA-N 2 2 316.449 1.917 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990026736 698904428 /nfs/dbraw/zinc/90/44/28/698904428.db2.gz PBZAAJWFYJPLDR-SQWLQELKSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990026736 698904429 /nfs/dbraw/zinc/90/44/29/698904429.db2.gz PBZAAJWFYJPLDR-SQWLQELKSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026736 698904430 /nfs/dbraw/zinc/90/44/30/698904430.db2.gz PBZAAJWFYJPLDR-SQWLQELKSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026736 698904431 /nfs/dbraw/zinc/90/44/31/698904431.db2.gz PBZAAJWFYJPLDR-SQWLQELKSA-N 2 2 311.857 1.946 20 30 DDEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000866617252 706745203 /nfs/dbraw/zinc/74/52/03/706745203.db2.gz ZYTBEPNGPGXKGN-MOPGFXCFSA-N 2 2 311.429 1.868 20 30 DDEDLP COC(=O)CCC[NH+]1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848419060 703548527 /nfs/dbraw/zinc/54/85/27/703548527.db2.gz XVMBMIHRVKFVCC-UHFFFAOYSA-N 2 2 321.425 1.268 20 30 DDEDLP C#Cc1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000854122811 704358296 /nfs/dbraw/zinc/35/82/96/704358296.db2.gz XEPUICGPKAQLCK-UHFFFAOYSA-N 2 2 316.449 1.351 20 30 DDEDLP C#Cc1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000854122811 704358299 /nfs/dbraw/zinc/35/82/99/704358299.db2.gz XEPUICGPKAQLCK-UHFFFAOYSA-N 2 2 316.449 1.351 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000855764271 704500482 /nfs/dbraw/zinc/50/04/82/704500482.db2.gz XGHQILWKWGBROK-INIZCTEOSA-N 2 2 312.417 1.938 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000876873715 705901220 /nfs/dbraw/zinc/90/12/20/705901220.db2.gz OONKLPCBNBBCML-GJZGRUSLSA-N 2 2 307.825 1.972 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000876873715 705901222 /nfs/dbraw/zinc/90/12/22/705901222.db2.gz OONKLPCBNBBCML-GJZGRUSLSA-N 2 2 307.825 1.972 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877009092 705957858 /nfs/dbraw/zinc/95/78/58/705957858.db2.gz HDOALPKLZCTCPG-UHFFFAOYSA-N 2 2 305.382 1.735 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000877747246 706197302 /nfs/dbraw/zinc/19/73/02/706197302.db2.gz DULOMEHMOZQWIB-UHFFFAOYSA-N 2 2 304.463 1.832 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883131703 707936304 /nfs/dbraw/zinc/93/63/04/707936304.db2.gz OAJUSFYCVSNJEH-UHFFFAOYSA-N 2 2 319.361 1.411 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883131703 707936306 /nfs/dbraw/zinc/93/63/06/707936306.db2.gz OAJUSFYCVSNJEH-UHFFFAOYSA-N 2 2 319.361 1.411 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000886525032 708773241 /nfs/dbraw/zinc/77/32/41/708773241.db2.gz WAVSIOZIDDFGLN-AWEZNQCLSA-N 2 2 318.421 1.745 20 30 DDEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCN(O)C3=O)CC2)C1 ZINC000895162836 711438148 /nfs/dbraw/zinc/43/81/48/711438148.db2.gz OBYCJXOGHODAMM-FVQBIDKESA-N 2 2 309.454 1.999 20 30 DDEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccnc1 ZINC000905550440 712074461 /nfs/dbraw/zinc/07/44/61/712074461.db2.gz IUZNRIZYZWDAFN-HZPDHXFCSA-N 2 2 302.422 1.719 20 30 DDEDLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000905554877 712076429 /nfs/dbraw/zinc/07/64/29/712076429.db2.gz ZSNIFSWGUNOAGZ-HOTGVXAUSA-N 2 2 304.438 1.965 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C#N)C3)C2)CC1 ZINC000918905849 713573062 /nfs/dbraw/zinc/57/30/62/713573062.db2.gz IFWJZVNMGWGUMM-GJZGRUSLSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C#N)C3)C2)CC1 ZINC000918905849 713573064 /nfs/dbraw/zinc/57/30/64/713573064.db2.gz IFWJZVNMGWGUMM-GJZGRUSLSA-N 2 2 319.453 1.100 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398973 714342160 /nfs/dbraw/zinc/34/21/60/714342160.db2.gz PBLSWWZJENICDL-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923398973 714342162 /nfs/dbraw/zinc/34/21/62/714342162.db2.gz PBLSWWZJENICDL-BFYDXBDKSA-N 2 2 301.390 1.111 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942172279 717523265 /nfs/dbraw/zinc/52/32/65/717523265.db2.gz BRJPBUWHVIMRGG-GDBMZVCRSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000942172279 717523268 /nfs/dbraw/zinc/52/32/68/717523268.db2.gz BRJPBUWHVIMRGG-GDBMZVCRSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296507 717730090 /nfs/dbraw/zinc/73/00/90/717730090.db2.gz DOZAQDMPMVEMHC-HZPDHXFCSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296507 717730094 /nfs/dbraw/zinc/73/00/94/717730094.db2.gz DOZAQDMPMVEMHC-HZPDHXFCSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963406329 717777944 /nfs/dbraw/zinc/77/79/44/717777944.db2.gz PLMDVVFHVFWLGC-WBVHZDCISA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000963406329 717777947 /nfs/dbraw/zinc/77/79/47/717777947.db2.gz PLMDVVFHVFWLGC-WBVHZDCISA-N 2 2 314.433 1.597 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963440429 717790606 /nfs/dbraw/zinc/79/06/06/717790606.db2.gz IUKOKUKVURRSRK-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963440429 717790609 /nfs/dbraw/zinc/79/06/09/717790609.db2.gz IUKOKUKVURRSRK-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943947940 718229864 /nfs/dbraw/zinc/22/98/64/718229864.db2.gz HRSCSKUKACXMFE-GDBMZVCRSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943947940 718229865 /nfs/dbraw/zinc/22/98/65/718229865.db2.gz HRSCSKUKACXMFE-GDBMZVCRSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082535 718760307 /nfs/dbraw/zinc/76/03/07/718760307.db2.gz DFIMZBXQONOFMQ-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967082535 718760311 /nfs/dbraw/zinc/76/03/11/718760311.db2.gz DFIMZBXQONOFMQ-IUODEOHRSA-N 2 2 306.410 1.362 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554899 719662666 /nfs/dbraw/zinc/66/26/66/719662666.db2.gz YKJJJMYUUQQSLI-HOCLYGCPSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554899 719662668 /nfs/dbraw/zinc/66/26/68/719662668.db2.gz YKJJJMYUUQQSLI-HOCLYGCPSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000970000863 720593253 /nfs/dbraw/zinc/59/32/53/720593253.db2.gz NVIGSGFLBCZFLE-GXTWGEPZSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000970000863 720593255 /nfs/dbraw/zinc/59/32/55/720593255.db2.gz NVIGSGFLBCZFLE-GXTWGEPZSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000950692145 720737410 /nfs/dbraw/zinc/73/74/10/720737410.db2.gz CLXGINWWMRTNIB-UHFFFAOYSA-N 2 2 310.401 1.812 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000970407839 720750911 /nfs/dbraw/zinc/75/09/11/720750911.db2.gz QJNZRQQHEPXBTN-JSGCOSHPSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000951781827 721180246 /nfs/dbraw/zinc/18/02/46/721180246.db2.gz KKCBPTCSMMTUFJ-HUUCEWRRSA-N 2 2 302.422 1.632 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001027646451 738506967 /nfs/dbraw/zinc/50/69/67/738506967.db2.gz WHHWMTJMMKYHOL-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001027646451 738506970 /nfs/dbraw/zinc/50/69/70/738506970.db2.gz WHHWMTJMMKYHOL-INIZCTEOSA-N 2 2 323.400 1.437 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271504 732882612 /nfs/dbraw/zinc/88/26/12/732882612.db2.gz URNQWQNMIHYOOW-HUUCEWRRSA-N 2 2 314.433 1.423 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001027940691 738841811 /nfs/dbraw/zinc/84/18/11/738841811.db2.gz QZVDCXSVHWMNFL-PNPSXAPQSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC001027940691 738841813 /nfs/dbraw/zinc/84/18/13/738841813.db2.gz QZVDCXSVHWMNFL-PNPSXAPQSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C/C=C\Cl ZINC001027940691 738841815 /nfs/dbraw/zinc/84/18/15/738841815.db2.gz QZVDCXSVHWMNFL-PNPSXAPQSA-N 2 2 309.841 1.417 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C/C=C\Cl ZINC001027940691 738841819 /nfs/dbraw/zinc/84/18/19/738841819.db2.gz QZVDCXSVHWMNFL-PNPSXAPQSA-N 2 2 309.841 1.417 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440552 734909932 /nfs/dbraw/zinc/90/99/32/734909932.db2.gz LGKIRPRRMLJBRW-HUUCEWRRSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427758 735226508 /nfs/dbraw/zinc/22/65/08/735226508.db2.gz QSUPXPQHJWGQCX-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023427758 735226512 /nfs/dbraw/zinc/22/65/12/735226512.db2.gz QSUPXPQHJWGQCX-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427758 735226515 /nfs/dbraw/zinc/22/65/15/735226515.db2.gz QSUPXPQHJWGQCX-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023427758 735226519 /nfs/dbraw/zinc/22/65/19/735226519.db2.gz QSUPXPQHJWGQCX-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023430464 735228631 /nfs/dbraw/zinc/22/86/31/735228631.db2.gz OHKPCEJQYZZLEA-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001023430464 735228636 /nfs/dbraw/zinc/22/86/36/735228636.db2.gz OHKPCEJQYZZLEA-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023430464 735228639 /nfs/dbraw/zinc/22/86/39/735228639.db2.gz OHKPCEJQYZZLEA-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001023430464 735228645 /nfs/dbraw/zinc/22/86/45/735228645.db2.gz OHKPCEJQYZZLEA-RBSFLKMASA-N 2 2 302.422 1.918 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449814 735241850 /nfs/dbraw/zinc/24/18/50/735241850.db2.gz ZWPDDKCTCZMERL-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449814 735241854 /nfs/dbraw/zinc/24/18/54/735241854.db2.gz ZWPDDKCTCZMERL-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512400 735888226 /nfs/dbraw/zinc/88/82/26/735888226.db2.gz WGWPKJMNPOBXHD-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024512400 735888229 /nfs/dbraw/zinc/88/82/29/735888229.db2.gz WGWPKJMNPOBXHD-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087306833 736012041 /nfs/dbraw/zinc/01/20/41/736012041.db2.gz OYXGBRIMCHAADR-HYVNUMGLSA-N 2 2 314.433 1.581 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289790 736410357 /nfs/dbraw/zinc/41/03/57/736410357.db2.gz SHAJGQOIQYXXCS-DLBZAZTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025289790 736410358 /nfs/dbraw/zinc/41/03/58/736410358.db2.gz SHAJGQOIQYXXCS-DLBZAZTESA-N 2 2 316.449 1.994 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304930 736414652 /nfs/dbraw/zinc/41/46/52/736414652.db2.gz QZJKWRBWPYKFBE-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025304930 736414653 /nfs/dbraw/zinc/41/46/53/736414653.db2.gz QZJKWRBWPYKFBE-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021553 736537201 /nfs/dbraw/zinc/53/72/01/736537201.db2.gz UQTCDHLDCAMRGU-RDJZCZTQSA-N 2 2 318.421 1.056 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021553 736537205 /nfs/dbraw/zinc/53/72/05/736537205.db2.gz UQTCDHLDCAMRGU-RDJZCZTQSA-N 2 2 318.421 1.056 20 30 DDEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]12 ZINC001026408466 737498885 /nfs/dbraw/zinc/49/88/85/737498885.db2.gz DKRRRMAYNASWRK-FVQBIDKESA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098513748 739045065 /nfs/dbraw/zinc/04/50/65/739045065.db2.gz AKNKEQUASKVZAH-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098513748 739045068 /nfs/dbraw/zinc/04/50/68/739045068.db2.gz AKNKEQUASKVZAH-UHFFFAOYSA-N 2 2 320.437 1.204 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131246 739075026 /nfs/dbraw/zinc/07/50/26/739075026.db2.gz GDQPOTBFLNKGLF-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131246 739075031 /nfs/dbraw/zinc/07/50/31/739075031.db2.gz GDQPOTBFLNKGLF-UONOGXRCSA-N 2 2 300.406 1.434 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035375942 751433133 /nfs/dbraw/zinc/43/31/33/751433133.db2.gz MTYZIPCSFATRFT-OWCLPIDISA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035375942 751433136 /nfs/dbraw/zinc/43/31/36/751433136.db2.gz MTYZIPCSFATRFT-OWCLPIDISA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035375942 751433137 /nfs/dbraw/zinc/43/31/37/751433137.db2.gz MTYZIPCSFATRFT-OWCLPIDISA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035375942 751433141 /nfs/dbraw/zinc/43/31/41/751433141.db2.gz MTYZIPCSFATRFT-OWCLPIDISA-N 2 2 309.454 1.110 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942270 739808613 /nfs/dbraw/zinc/80/86/13/739808613.db2.gz GUYIKUJGDHLMRX-UHFFFAOYSA-N 2 2 302.422 1.252 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644024 739842008 /nfs/dbraw/zinc/84/20/08/739842008.db2.gz VMFOKSSNMWOIEW-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028644024 739842013 /nfs/dbraw/zinc/84/20/13/739842013.db2.gz VMFOKSSNMWOIEW-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028907035 740162069 /nfs/dbraw/zinc/16/20/69/740162069.db2.gz BZARTSANXQUXRW-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028907035 740162073 /nfs/dbraw/zinc/16/20/73/740162073.db2.gz BZARTSANXQUXRW-OAHLLOKOSA-N 2 2 323.400 1.342 20 30 DDEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167969650 740314394 /nfs/dbraw/zinc/31/43/94/740314394.db2.gz RKKLEEVKXGQXKD-MRXNPFEDSA-N 2 2 324.428 1.736 20 30 DDEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167969650 740314396 /nfs/dbraw/zinc/31/43/96/740314396.db2.gz RKKLEEVKXGQXKD-MRXNPFEDSA-N 2 2 324.428 1.736 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035482901 751537152 /nfs/dbraw/zinc/53/71/52/751537152.db2.gz FGPUEYLJJCYXMH-JYJNAYRXSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482901 751537158 /nfs/dbraw/zinc/53/71/58/751537158.db2.gz FGPUEYLJJCYXMH-JYJNAYRXSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482901 751537165 /nfs/dbraw/zinc/53/71/65/751537165.db2.gz FGPUEYLJJCYXMH-JYJNAYRXSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482901 751537170 /nfs/dbraw/zinc/53/71/70/751537170.db2.gz FGPUEYLJJCYXMH-JYJNAYRXSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899722 751539189 /nfs/dbraw/zinc/53/91/89/751539189.db2.gz YHSVWMTWKVXXAC-LJIGWXMPSA-N 2 2 318.421 1.083 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899722 751539195 /nfs/dbraw/zinc/53/91/95/751539195.db2.gz YHSVWMTWKVXXAC-LJIGWXMPSA-N 2 2 318.421 1.083 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001088380697 741450031 /nfs/dbraw/zinc/45/00/31/741450031.db2.gz NNJMIXKZTXJHQR-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217666 741695933 /nfs/dbraw/zinc/69/59/33/741695933.db2.gz RKMHBMDGKWCCFR-VXGBXAGGSA-N 2 2 316.327 1.438 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228910 742611238 /nfs/dbraw/zinc/61/12/38/742611238.db2.gz PFDUVWXHZXIGQB-KCQAQPDRSA-N 2 2 300.406 1.548 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228910 742611242 /nfs/dbraw/zinc/61/12/42/742611242.db2.gz PFDUVWXHZXIGQB-KCQAQPDRSA-N 2 2 300.406 1.548 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462487 742745951 /nfs/dbraw/zinc/74/59/51/742745951.db2.gz WUNRTHJZBHVAQC-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462487 742745956 /nfs/dbraw/zinc/74/59/56/742745956.db2.gz WUNRTHJZBHVAQC-GOEBONIOSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001183782041 743909479 /nfs/dbraw/zinc/90/94/79/743909479.db2.gz DWNXWFRCWUQBAQ-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001183782041 743909480 /nfs/dbraw/zinc/90/94/80/743909480.db2.gz DWNXWFRCWUQBAQ-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185380053 744211687 /nfs/dbraw/zinc/21/16/87/744211687.db2.gz HOHAXRZBYXWNQX-WCQYABFASA-N 2 2 310.829 1.779 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185571420 744249474 /nfs/dbraw/zinc/24/94/74/744249474.db2.gz CKRFKWVHYYMGQO-UKRRQHHQSA-N 2 2 302.422 1.358 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851548 751921963 /nfs/dbraw/zinc/92/19/63/751921963.db2.gz QEHQFIXMOBPTIE-UHFFFAOYSA-N 2 2 300.406 1.139 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992217601 744699438 /nfs/dbraw/zinc/69/94/38/744699438.db2.gz JWIPBRVEJBTVSG-DEICHXMPSA-N 2 2 312.417 1.270 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992217601 744699440 /nfs/dbraw/zinc/69/94/40/744699440.db2.gz JWIPBRVEJBTVSG-DEICHXMPSA-N 2 2 312.417 1.270 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900044 745354585 /nfs/dbraw/zinc/35/45/85/745354585.db2.gz NIYWABCBRRQGPN-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900044 745354589 /nfs/dbraw/zinc/35/45/89/745354589.db2.gz NIYWABCBRRQGPN-HNNXBMFYSA-N 2 2 302.422 1.483 20 30 DDEDLP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292697 745746198 /nfs/dbraw/zinc/74/61/98/745746198.db2.gz BCBZDHTVPBZUGR-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292697 745746201 /nfs/dbraw/zinc/74/62/01/745746201.db2.gz BCBZDHTVPBZUGR-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292880 745746339 /nfs/dbraw/zinc/74/63/39/745746339.db2.gz CTZODVKWDITVMS-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292880 745746342 /nfs/dbraw/zinc/74/63/42/745746342.db2.gz CTZODVKWDITVMS-KBPBESRZSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578206 745830882 /nfs/dbraw/zinc/83/08/82/745830882.db2.gz MUTVNJKGFYYEGT-HOTGVXAUSA-N 2 2 320.437 1.570 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192578206 745830886 /nfs/dbraw/zinc/83/08/86/745830886.db2.gz MUTVNJKGFYYEGT-HOTGVXAUSA-N 2 2 320.437 1.570 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197791211 747265866 /nfs/dbraw/zinc/26/58/66/747265866.db2.gz CFLAZRGCXCHCOI-HZPDHXFCSA-N 2 2 322.453 1.094 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197791211 747265869 /nfs/dbraw/zinc/26/58/69/747265869.db2.gz CFLAZRGCXCHCOI-HZPDHXFCSA-N 2 2 322.453 1.094 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007598700 752234215 /nfs/dbraw/zinc/23/42/15/752234215.db2.gz XAFMVCLSRGFCTK-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001007598700 752234217 /nfs/dbraw/zinc/23/42/17/752234217.db2.gz XAFMVCLSRGFCTK-OAHLLOKOSA-N 2 2 302.422 1.531 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203950312 748150669 /nfs/dbraw/zinc/15/06/69/748150669.db2.gz KIHIHRIRZWUPRC-KRWDZBQOSA-N 2 2 314.433 1.288 20 30 DDEDLP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C1CC1 ZINC001004456313 748448114 /nfs/dbraw/zinc/44/81/14/748448114.db2.gz DJQVLGMCECXBRA-SJORKVTESA-N 2 2 318.465 1.553 20 30 DDEDLP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C1CC1 ZINC001004456313 748448120 /nfs/dbraw/zinc/44/81/20/748448120.db2.gz DJQVLGMCECXBRA-SJORKVTESA-N 2 2 318.465 1.553 20 30 DDEDLP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004539197 748542436 /nfs/dbraw/zinc/54/24/36/748542436.db2.gz HVCJKRLITFTVHF-IAGOWNOFSA-N 2 2 320.481 1.799 20 30 DDEDLP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004539197 748542442 /nfs/dbraw/zinc/54/24/42/748542442.db2.gz HVCJKRLITFTVHF-IAGOWNOFSA-N 2 2 320.481 1.799 20 30 DDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032183078 748774014 /nfs/dbraw/zinc/77/40/14/748774014.db2.gz ZGXLYVORFOZVPM-KRWDZBQOSA-N 2 2 312.417 1.058 20 30 DDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032183078 748774018 /nfs/dbraw/zinc/77/40/18/748774018.db2.gz ZGXLYVORFOZVPM-KRWDZBQOSA-N 2 2 312.417 1.058 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039256346 761895894 /nfs/dbraw/zinc/89/58/94/761895894.db2.gz JLAZOQWXUCSLBU-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001039256346 761895905 /nfs/dbraw/zinc/89/59/05/761895905.db2.gz JLAZOQWXUCSLBU-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001039310463 761924005 /nfs/dbraw/zinc/92/40/05/761924005.db2.gz KNKACFPXLSHWBQ-GOOCMWNKSA-N 2 2 302.422 1.948 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445185 749219878 /nfs/dbraw/zinc/21/98/78/749219878.db2.gz LKUJODRXABQTHC-VVLHAWIVSA-N 2 2 314.433 1.540 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445185 749219881 /nfs/dbraw/zinc/21/98/81/749219881.db2.gz LKUJODRXABQTHC-VVLHAWIVSA-N 2 2 314.433 1.540 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772411 749956603 /nfs/dbraw/zinc/95/66/03/749956603.db2.gz IAQPBZQESJIKOD-CYBMUJFWSA-N 2 2 311.817 1.248 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772411 749956605 /nfs/dbraw/zinc/95/66/05/749956605.db2.gz IAQPBZQESJIKOD-CYBMUJFWSA-N 2 2 311.817 1.248 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879029 750014784 /nfs/dbraw/zinc/01/47/84/750014784.db2.gz OKZPUWXPGSSDME-AWEZNQCLSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879029 750014789 /nfs/dbraw/zinc/01/47/89/750014789.db2.gz OKZPUWXPGSSDME-AWEZNQCLSA-N 2 2 318.421 1.296 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876836 750015746 /nfs/dbraw/zinc/01/57/46/750015746.db2.gz YIJNXNIMIUQGMK-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033876836 750015753 /nfs/dbraw/zinc/01/57/53/750015753.db2.gz YIJNXNIMIUQGMK-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491852 750048582 /nfs/dbraw/zinc/04/85/82/750048582.db2.gz NTPVKRKVUKQYQB-SJLPKXTDSA-N 2 2 314.433 1.657 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491852 750048588 /nfs/dbraw/zinc/04/85/88/750048588.db2.gz NTPVKRKVUKQYQB-SJLPKXTDSA-N 2 2 314.433 1.657 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101079 750364631 /nfs/dbraw/zinc/36/46/31/750364631.db2.gz KXBMXPMZMZEBOV-OAGGEKHMSA-N 2 2 314.433 1.751 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101079 750364640 /nfs/dbraw/zinc/36/46/40/750364640.db2.gz KXBMXPMZMZEBOV-OAGGEKHMSA-N 2 2 314.433 1.751 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460199 762050257 /nfs/dbraw/zinc/05/02/57/762050257.db2.gz FBKLEGFYDIMQKO-KGLIPLIRSA-N 2 2 302.422 1.939 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001039460199 762050263 /nfs/dbraw/zinc/05/02/63/762050263.db2.gz FBKLEGFYDIMQKO-KGLIPLIRSA-N 2 2 302.422 1.939 20 30 DDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001035063601 751154985 /nfs/dbraw/zinc/15/49/85/751154985.db2.gz ZKZWOZYDLWMNPV-QGZVFWFLSA-N 2 2 323.400 1.605 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC ZINC001039648174 762146706 /nfs/dbraw/zinc/14/67/06/762146706.db2.gz AMBRMPIKBJOKAX-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001039648174 762146708 /nfs/dbraw/zinc/14/67/08/762146708.db2.gz AMBRMPIKBJOKAX-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC ZINC001039648174 762146711 /nfs/dbraw/zinc/14/67/11/762146711.db2.gz AMBRMPIKBJOKAX-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC ZINC001039648174 762146713 /nfs/dbraw/zinc/14/67/13/762146713.db2.gz AMBRMPIKBJOKAX-KSZLIROESA-N 2 2 317.477 1.949 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032802610 754113359 /nfs/dbraw/zinc/11/33/59/754113359.db2.gz GQQUJJIMAPCKLD-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032802610 754113365 /nfs/dbraw/zinc/11/33/65/754113365.db2.gz GQQUJJIMAPCKLD-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015236182 756182444 /nfs/dbraw/zinc/18/24/44/756182444.db2.gz WKKODBZLBZXBAF-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015236182 756182447 /nfs/dbraw/zinc/18/24/47/756182447.db2.gz WKKODBZLBZXBAF-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940435 756665062 /nfs/dbraw/zinc/66/50/62/756665062.db2.gz KSDHYQCRWFUUOL-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940435 756665063 /nfs/dbraw/zinc/66/50/63/756665063.db2.gz KSDHYQCRWFUUOL-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001083121645 757123251 /nfs/dbraw/zinc/12/32/51/757123251.db2.gz WFXFZQZTWGHLOV-DLBZAZTESA-N 2 2 324.384 1.111 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001083121645 757123253 /nfs/dbraw/zinc/12/32/53/757123253.db2.gz WFXFZQZTWGHLOV-DLBZAZTESA-N 2 2 324.384 1.111 20 30 DDEDLP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016949150 757500292 /nfs/dbraw/zinc/50/02/92/757500292.db2.gz BBROFFPUFCRDGD-OAHLLOKOSA-N 2 2 300.406 1.255 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461596 757577754 /nfs/dbraw/zinc/57/77/54/757577754.db2.gz IXMGMIQRIWVISE-SQWLQELKSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461596 757577760 /nfs/dbraw/zinc/57/77/60/757577760.db2.gz IXMGMIQRIWVISE-SQWLQELKSA-N 2 2 300.406 1.164 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465762 757583606 /nfs/dbraw/zinc/58/36/06/757583606.db2.gz TUAWYNOKNUFIFR-BZUAXINKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465762 757583611 /nfs/dbraw/zinc/58/36/11/757583611.db2.gz TUAWYNOKNUFIFR-BZUAXINKSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097820804 757586708 /nfs/dbraw/zinc/58/67/08/757586708.db2.gz CELIWBZJLYXYNZ-OSRDXIQISA-N 2 2 300.406 1.737 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097820804 757586716 /nfs/dbraw/zinc/58/67/16/757586716.db2.gz CELIWBZJLYXYNZ-OSRDXIQISA-N 2 2 300.406 1.737 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510271 762570524 /nfs/dbraw/zinc/57/05/24/762570524.db2.gz NFIDHQVPWPJJRH-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510271 762570530 /nfs/dbraw/zinc/57/05/30/762570530.db2.gz NFIDHQVPWPJJRH-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653804 757741309 /nfs/dbraw/zinc/74/13/09/757741309.db2.gz WJBCEXKSDYJLAZ-IIAWOOMASA-N 2 2 314.433 1.938 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001084653804 757741311 /nfs/dbraw/zinc/74/13/11/757741311.db2.gz WJBCEXKSDYJLAZ-IIAWOOMASA-N 2 2 314.433 1.938 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549516 758015155 /nfs/dbraw/zinc/01/51/55/758015155.db2.gz JZYMCCXGHJZHCA-XDNAFOTISA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549516 758015159 /nfs/dbraw/zinc/01/51/59/758015159.db2.gz JZYMCCXGHJZHCA-XDNAFOTISA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549516 758015170 /nfs/dbraw/zinc/01/51/70/758015170.db2.gz JZYMCCXGHJZHCA-XDNAFOTISA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549516 758015178 /nfs/dbraw/zinc/01/51/78/758015178.db2.gz JZYMCCXGHJZHCA-XDNAFOTISA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001097891331 758423203 /nfs/dbraw/zinc/42/32/03/758423203.db2.gz LNMUQMYYYAIPML-ZDUSSCGKSA-N 2 2 315.421 1.047 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018315015 758723425 /nfs/dbraw/zinc/72/34/25/758723425.db2.gz XJKKBWSKNZXNEG-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018315015 758723429 /nfs/dbraw/zinc/72/34/29/758723429.db2.gz XJKKBWSKNZXNEG-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001019193229 759662518 /nfs/dbraw/zinc/66/25/18/759662518.db2.gz XZBKRROZXYPXIC-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001019193229 759662523 /nfs/dbraw/zinc/66/25/23/759662523.db2.gz XZBKRROZXYPXIC-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001054795318 760090712 /nfs/dbraw/zinc/09/07/12/760090712.db2.gz VSVQFBBHWVVGQH-DZGCQCFKSA-N 2 2 303.406 1.645 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001020314827 760785499 /nfs/dbraw/zinc/78/54/99/760785499.db2.gz WCWWEJGYWSPEIL-JHJVBQTASA-N 2 2 308.813 1.435 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086194622 761152122 /nfs/dbraw/zinc/15/21/22/761152122.db2.gz HWALRVCUKMJWCW-MJBXVCDLSA-N 2 2 302.422 1.890 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039071955 761710742 /nfs/dbraw/zinc/71/07/42/761710742.db2.gz GJRUJQZZHBNZIT-HNNXBMFYSA-N 2 2 317.433 1.949 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039071955 761710748 /nfs/dbraw/zinc/71/07/48/761710748.db2.gz GJRUJQZZHBNZIT-HNNXBMFYSA-N 2 2 317.433 1.949 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039241003 761878916 /nfs/dbraw/zinc/87/89/16/761878916.db2.gz XZXRTLQNZMNUJA-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039241003 761878921 /nfs/dbraw/zinc/87/89/21/761878921.db2.gz XZXRTLQNZMNUJA-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107567 763148359 /nfs/dbraw/zinc/14/83/59/763148359.db2.gz NFRRPFBFUKRDEU-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001050107567 763148366 /nfs/dbraw/zinc/14/83/66/763148366.db2.gz NFRRPFBFUKRDEU-JKSUJKDBSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313004 763901944 /nfs/dbraw/zinc/90/19/44/763901944.db2.gz GYGZIAAHHGXAFA-ZIAGYGMSSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042313004 763901947 /nfs/dbraw/zinc/90/19/47/763901947.db2.gz GYGZIAAHHGXAFA-ZIAGYGMSSA-N 2 2 302.422 1.796 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001050746142 763991798 /nfs/dbraw/zinc/99/17/98/763991798.db2.gz RIOITNSHNVAXOO-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052488656 765879629 /nfs/dbraw/zinc/87/96/29/765879629.db2.gz JLAQMRPKVMUGNX-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052488656 765879632 /nfs/dbraw/zinc/87/96/32/765879632.db2.gz JLAQMRPKVMUGNX-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504743 765895855 /nfs/dbraw/zinc/89/58/55/765895855.db2.gz ICLDWTHBDPXOFH-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504743 765895860 /nfs/dbraw/zinc/89/58/60/765895860.db2.gz ICLDWTHBDPXOFH-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001045485540 766342739 /nfs/dbraw/zinc/34/27/39/766342739.db2.gz FJWLQWNEBNSNPA-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612732 767738009 /nfs/dbraw/zinc/73/80/09/767738009.db2.gz UJCDYDPCRLQWGH-GUYCJALGSA-N 2 2 300.406 1.434 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046612732 767738014 /nfs/dbraw/zinc/73/80/14/767738014.db2.gz UJCDYDPCRLQWGH-GUYCJALGSA-N 2 2 300.406 1.434 20 30 DDEDLP C=CCCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132425798 768840819 /nfs/dbraw/zinc/84/08/19/768840819.db2.gz MIHJURWCAQBCEG-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132425798 768840830 /nfs/dbraw/zinc/84/08/30/768840830.db2.gz MIHJURWCAQBCEG-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216845 769151791 /nfs/dbraw/zinc/15/17/91/769151791.db2.gz XALPCFZMPKQLOO-YOEHRIQHSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216845 769151794 /nfs/dbraw/zinc/15/17/94/769151794.db2.gz XALPCFZMPKQLOO-YOEHRIQHSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782481 769189419 /nfs/dbraw/zinc/18/94/19/769189419.db2.gz NMCKXIYIHPYMLI-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782482 769189895 /nfs/dbraw/zinc/18/98/95/769189895.db2.gz NMCKXIYIHPYMLI-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784220 769192908 /nfs/dbraw/zinc/19/29/08/769192908.db2.gz MFPIDCNISVHGGF-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784220 769192911 /nfs/dbraw/zinc/19/29/11/769192911.db2.gz MFPIDCNISVHGGF-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133289100 769667441 /nfs/dbraw/zinc/66/74/41/769667441.db2.gz PRYXUTNIOQGQCN-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071769014 770034676 /nfs/dbraw/zinc/03/46/76/770034676.db2.gz IPNCMGRSPUHLTA-ZBFHGGJFSA-N 2 2 317.433 1.947 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071769014 770034691 /nfs/dbraw/zinc/03/46/91/770034691.db2.gz IPNCMGRSPUHLTA-ZBFHGGJFSA-N 2 2 317.433 1.947 20 30 DDEDLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001135793376 771717301 /nfs/dbraw/zinc/71/73/01/771717301.db2.gz YNPMNRDUEWFAGG-CVEARBPZSA-N 2 2 324.428 1.877 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091105971 772528330 /nfs/dbraw/zinc/52/83/30/772528330.db2.gz BQDSGQZHWIROLL-SHARSMKWSA-N 2 2 302.422 1.506 20 30 DDEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091228572 772634317 /nfs/dbraw/zinc/63/43/17/772634317.db2.gz HWALRVCUKMJWCW-JXQTWKCFSA-N 2 2 302.422 1.890 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092232308 774020197 /nfs/dbraw/zinc/02/01/97/774020197.db2.gz GQKTYLSNWFUGJF-PBHICJAKSA-N 2 2 300.406 1.064 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092232308 774020205 /nfs/dbraw/zinc/02/02/05/774020205.db2.gz GQKTYLSNWFUGJF-PBHICJAKSA-N 2 2 300.406 1.064 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771900 774563086 /nfs/dbraw/zinc/56/30/86/774563086.db2.gz OMPPKFXTHPCGOU-GJZGRUSLSA-N 2 2 308.385 1.504 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771900 774563088 /nfs/dbraw/zinc/56/30/88/774563088.db2.gz OMPPKFXTHPCGOU-GJZGRUSLSA-N 2 2 308.385 1.504 20 30 DDEDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970438 776947342 /nfs/dbraw/zinc/94/73/42/776947342.db2.gz GGCTVLRRZPLSAM-RDBSUJKOSA-N 2 2 310.442 1.818 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001177139049 778458503 /nfs/dbraw/zinc/45/85/03/778458503.db2.gz PDCFKLNWIKICKK-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001177139049 778458505 /nfs/dbraw/zinc/45/85/05/778458505.db2.gz PDCFKLNWIKICKK-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139049 778458508 /nfs/dbraw/zinc/45/85/08/778458508.db2.gz PDCFKLNWIKICKK-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139049 778458513 /nfs/dbraw/zinc/45/85/13/778458513.db2.gz PDCFKLNWIKICKK-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688028 778996217 /nfs/dbraw/zinc/99/62/17/778996217.db2.gz GBYCRHQHUILNDQ-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688028 778996220 /nfs/dbraw/zinc/99/62/20/778996220.db2.gz GBYCRHQHUILNDQ-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779323 779040454 /nfs/dbraw/zinc/04/04/54/779040454.db2.gz XLTQDDPENPKCKL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779323 779040462 /nfs/dbraw/zinc/04/04/62/779040462.db2.gz XLTQDDPENPKCKL-HZPDHXFCSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957434 779241053 /nfs/dbraw/zinc/24/10/53/779241053.db2.gz YCDQCJWPDVOXDM-HRCADAONSA-N 2 2 302.422 1.683 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001179021981 779249410 /nfs/dbraw/zinc/24/94/10/779249410.db2.gz INOPLDAVTOLHGU-ZOBUZTSGSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H]1C ZINC001179714709 779466291 /nfs/dbraw/zinc/46/62/91/779466291.db2.gz JBXFJCIYWANHHY-RDJZCZTQSA-N 2 2 324.428 1.788 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC001179836126 779502880 /nfs/dbraw/zinc/50/28/80/779502880.db2.gz DVTSCFIISFXWIB-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267493685 838177041 /nfs/dbraw/zinc/17/70/41/838177041.db2.gz KSYBZKXPWLBBSX-ZDUSSCGKSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268155315 839764530 /nfs/dbraw/zinc/76/45/30/839764530.db2.gz WNVLQGDXYSCYQY-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001268293075 839956672 /nfs/dbraw/zinc/95/66/72/839956672.db2.gz XMEHAMBRGMZHHI-ZBFHGGJFSA-N 2 2 302.422 1.251 20 30 DDEDLP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001269812967 842072935 /nfs/dbraw/zinc/07/29/35/842072935.db2.gz YUOSBOJQDVTTEJ-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001326367091 861309465 /nfs/dbraw/zinc/30/94/65/861309465.db2.gz AQGLYANUNBBIIG-RRFJBIMHSA-N 2 2 302.422 1.538 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001270370664 842522716 /nfs/dbraw/zinc/52/27/16/842522716.db2.gz YPOHDYKPLBODBW-UHFFFAOYSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001272673944 846567432 /nfs/dbraw/zinc/56/74/32/846567432.db2.gz RRXLWWUOYUWWLT-INIZCTEOSA-N 2 2 322.412 1.914 20 30 DDEDLP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001272700068 846657149 /nfs/dbraw/zinc/65/71/49/846657149.db2.gz GUMLZORTUKNMLE-CYBMUJFWSA-N 2 2 310.401 1.861 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277173 848233515 /nfs/dbraw/zinc/23/35/15/848233515.db2.gz VRNISFLZTNMMGE-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277173 848233521 /nfs/dbraw/zinc/23/35/21/848233521.db2.gz VRNISFLZTNMMGE-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825748 861925246 /nfs/dbraw/zinc/92/52/46/861925246.db2.gz DQGIFLAUENZLPP-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825748 861925258 /nfs/dbraw/zinc/92/52/58/861925258.db2.gz DQGIFLAUENZLPP-HNNXBMFYSA-N 2 2 306.410 1.126 20 30 DDEDLP CC#CC[NH2+]C1(CC)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001327467030 862194602 /nfs/dbraw/zinc/19/46/02/862194602.db2.gz GUICFJGMBHRAJC-UHFFFAOYSA-N 2 2 302.422 1.657 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711792 851256641 /nfs/dbraw/zinc/25/66/41/851256641.db2.gz IYFRGNONKVZCHM-KRWDZBQOSA-N 2 2 307.438 1.355 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711792 851256651 /nfs/dbraw/zinc/25/66/51/851256651.db2.gz IYFRGNONKVZCHM-KRWDZBQOSA-N 2 2 307.438 1.355 20 30 DDEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273826285 851391120 /nfs/dbraw/zinc/39/11/20/851391120.db2.gz AIWIEAMAHJIEPL-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273826285 851391126 /nfs/dbraw/zinc/39/11/26/851391126.db2.gz AIWIEAMAHJIEPL-SFHVURJKSA-N 2 2 321.465 1.208 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857247 860167157 /nfs/dbraw/zinc/16/71/57/860167157.db2.gz QHSRGXUYSMPSRV-KGLIPLIRSA-N 2 2 302.422 1.935 20 30 DDEDLP C=C(C)C(=O)NCCCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001156820324 863363585 /nfs/dbraw/zinc/36/35/85/863363585.db2.gz CDMLWZKQKPUOSA-UHFFFAOYSA-N 2 2 317.437 1.328 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329476352 863689553 /nfs/dbraw/zinc/68/95/53/863689553.db2.gz ZHWURURYXGHZSS-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001330023023 864026345 /nfs/dbraw/zinc/02/63/45/864026345.db2.gz VSVLKQIFHXFVMN-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879917 864216269 /nfs/dbraw/zinc/21/62/69/864216269.db2.gz CIGDJABLOVCUHI-OAHLLOKOSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879917 864216279 /nfs/dbraw/zinc/21/62/79/864216279.db2.gz CIGDJABLOVCUHI-OAHLLOKOSA-N 2 2 302.422 1.679 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001330360201 864273498 /nfs/dbraw/zinc/27/34/98/864273498.db2.gz OIADPLULTZSNRZ-PHZGNYQRSA-N 2 2 302.422 1.223 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001330360201 864273511 /nfs/dbraw/zinc/27/35/11/864273511.db2.gz OIADPLULTZSNRZ-PHZGNYQRSA-N 2 2 302.422 1.223 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533694 864707203 /nfs/dbraw/zinc/70/72/03/864707203.db2.gz GEQPOPOZIHLQMQ-JKSUJKDBSA-N 2 2 302.422 1.780 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533694 864707205 /nfs/dbraw/zinc/70/72/05/864707205.db2.gz GEQPOPOZIHLQMQ-JKSUJKDBSA-N 2 2 302.422 1.780 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794231 864908677 /nfs/dbraw/zinc/90/86/77/864908677.db2.gz MACZWSQOOBBAMD-OAHLLOKOSA-N 2 2 302.422 1.597 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794231 864908684 /nfs/dbraw/zinc/90/86/84/864908684.db2.gz MACZWSQOOBBAMD-OAHLLOKOSA-N 2 2 302.422 1.597 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001332329793 865765898 /nfs/dbraw/zinc/76/58/98/865765898.db2.gz QUPPVERPWBUGSV-HUUCEWRRSA-N 2 2 304.438 1.803 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330680 865783262 /nfs/dbraw/zinc/78/32/62/865783262.db2.gz HJYUCCVGFBJOTQ-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330680 865783272 /nfs/dbraw/zinc/78/32/72/865783272.db2.gz HJYUCCVGFBJOTQ-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330680 865783274 /nfs/dbraw/zinc/78/32/74/865783274.db2.gz HJYUCCVGFBJOTQ-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330680 865783286 /nfs/dbraw/zinc/78/32/86/865783286.db2.gz HJYUCCVGFBJOTQ-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319758551 866272644 /nfs/dbraw/zinc/27/26/44/866272644.db2.gz NKGGVMFMQLOIQZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319758551 866272662 /nfs/dbraw/zinc/27/26/62/866272662.db2.gz NKGGVMFMQLOIQZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP Cc1cc(N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc[nH+]1 ZINC001277065521 881985818 /nfs/dbraw/zinc/98/58/18/881985818.db2.gz YSLJLKJWOPCZDC-UHFFFAOYSA-N 2 2 307.401 1.922 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001324187225 867129916 /nfs/dbraw/zinc/12/99/16/867129916.db2.gz PPZRFAVPQACBQN-GDBMZVCRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001322160661 868013075 /nfs/dbraw/zinc/01/30/75/868013075.db2.gz OKEJCWVZZVKSSF-AWEZNQCLSA-N 2 2 304.438 1.775 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001322160661 868013091 /nfs/dbraw/zinc/01/30/91/868013091.db2.gz OKEJCWVZZVKSSF-AWEZNQCLSA-N 2 2 304.438 1.775 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001325541630 868120635 /nfs/dbraw/zinc/12/06/35/868120635.db2.gz CSMJTWCQWNXMJW-CABCVRRESA-N 2 2 310.401 1.655 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203539065 870628829 /nfs/dbraw/zinc/62/88/29/870628829.db2.gz LUYCGHUGNBHYSR-ZIAGYGMSSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001203932883 870842180 /nfs/dbraw/zinc/84/21/80/870842180.db2.gz QFPLBBKNOJMPMH-KRWDZBQOSA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(Br)C[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001317658993 871342082 /nfs/dbraw/zinc/34/20/82/871342082.db2.gz YVANTTJDTJXMCZ-UHFFFAOYSA-N 2 2 315.215 1.217 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787190 871503278 /nfs/dbraw/zinc/50/32/78/871503278.db2.gz DCOIXAZPLRJHEI-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787190 871503297 /nfs/dbraw/zinc/50/32/97/871503297.db2.gz DCOIXAZPLRJHEI-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205511993 871597214 /nfs/dbraw/zinc/59/72/14/871597214.db2.gz BEFIBFWXGNPREM-UHFFFAOYSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001205556628 871626591 /nfs/dbraw/zinc/62/65/91/871626591.db2.gz XGNLZRVZGXWGJF-OAHLLOKOSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001205556628 871626604 /nfs/dbraw/zinc/62/66/04/871626604.db2.gz XGNLZRVZGXWGJF-OAHLLOKOSA-N 2 2 314.433 1.284 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001316703164 871845902 /nfs/dbraw/zinc/84/59/02/871845902.db2.gz HNPVKSDFKZMAOF-VYDXJSESSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001316703164 871845917 /nfs/dbraw/zinc/84/59/17/871845917.db2.gz HNPVKSDFKZMAOF-VYDXJSESSA-N 2 2 316.449 1.828 20 30 DDEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001318233421 871858656 /nfs/dbraw/zinc/85/86/56/871858656.db2.gz XJNMLNJEJQTRLA-ROUUACIJSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001318233421 871858672 /nfs/dbraw/zinc/85/86/72/871858672.db2.gz XJNMLNJEJQTRLA-ROUUACIJSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001318233421 871858695 /nfs/dbraw/zinc/85/86/95/871858695.db2.gz XJNMLNJEJQTRLA-ROUUACIJSA-N 2 2 311.429 1.427 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)Cc1ccccc1 ZINC001318233421 871858710 /nfs/dbraw/zinc/85/87/10/871858710.db2.gz XJNMLNJEJQTRLA-ROUUACIJSA-N 2 2 311.429 1.427 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001316773070 872020882 /nfs/dbraw/zinc/02/08/82/872020882.db2.gz FBYOMSUJJMIFLN-INIZCTEOSA-N 2 2 302.422 1.657 20 30 DDEDLP C=CCOCC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001316936312 872412426 /nfs/dbraw/zinc/41/24/26/872412426.db2.gz YYSJIYFYSSCTSB-UHFFFAOYSA-N 2 2 320.437 1.386 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322555 872573341 /nfs/dbraw/zinc/57/33/41/872573341.db2.gz MNLZKTYEIQQWIT-HIFRSBDPSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322555 872573349 /nfs/dbraw/zinc/57/33/49/872573349.db2.gz MNLZKTYEIQQWIT-HIFRSBDPSA-N 2 2 306.410 1.124 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001378075923 874095213 /nfs/dbraw/zinc/09/52/13/874095213.db2.gz YOKBVWUZMVZOCW-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001378075923 874095223 /nfs/dbraw/zinc/09/52/23/874095223.db2.gz YOKBVWUZMVZOCW-AWEZNQCLSA-N 2 2 310.829 1.915 20 30 DDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729808 875082433 /nfs/dbraw/zinc/08/24/33/875082433.db2.gz CWNHKXCBFJKVOQ-WBVHZDCISA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209729808 875082437 /nfs/dbraw/zinc/08/24/37/875082437.db2.gz CWNHKXCBFJKVOQ-WBVHZDCISA-N 2 2 303.406 1.820 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215199791 876605888 /nfs/dbraw/zinc/60/58/88/876605888.db2.gz FXIDWHIWOOVSFB-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216858906 877085637 /nfs/dbraw/zinc/08/56/37/877085637.db2.gz DKTCJVZHDBNQJH-DJIMGWMZSA-N 2 2 316.449 1.697 20 30 DDEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353468245 877353254 /nfs/dbraw/zinc/35/32/54/877353254.db2.gz VRGVOQMRCQQCNW-ZBFHGGJFSA-N 2 2 308.470 1.844 20 30 DDEDLP N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218205559 877417956 /nfs/dbraw/zinc/41/79/56/877417956.db2.gz YKRLWVZZEXLMLG-YOEHRIQHSA-N 3 2 300.406 1.100 20 30 DDEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310001084 877662671 /nfs/dbraw/zinc/66/26/71/877662671.db2.gz FBNXAGUOOAAMBZ-MSOLQXFVSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310001084 877662680 /nfs/dbraw/zinc/66/26/80/877662680.db2.gz FBNXAGUOOAAMBZ-MSOLQXFVSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310001084 877662692 /nfs/dbraw/zinc/66/26/92/877662692.db2.gz FBNXAGUOOAAMBZ-MSOLQXFVSA-N 2 2 311.429 1.190 20 30 DDEDLP C#CCNC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310001084 877662699 /nfs/dbraw/zinc/66/26/99/877662699.db2.gz FBNXAGUOOAAMBZ-MSOLQXFVSA-N 2 2 311.429 1.190 20 30 DDEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220596663 879123149 /nfs/dbraw/zinc/12/31/49/879123149.db2.gz DCZXCCIRCMYRDA-ZWKOTPCHSA-N 2 2 320.396 1.934 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001276838937 880701654 /nfs/dbraw/zinc/70/16/54/880701654.db2.gz DFAOFBMEDKQYAA-BBWFWOEESA-N 2 2 314.433 1.513 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001276838937 880701663 /nfs/dbraw/zinc/70/16/63/880701663.db2.gz DFAOFBMEDKQYAA-BBWFWOEESA-N 2 2 314.433 1.513 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001278466810 892915230 /nfs/dbraw/zinc/91/52/30/892915230.db2.gz LEPBWDJIZHLDKS-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001278466810 892915238 /nfs/dbraw/zinc/91/52/38/892915238.db2.gz LEPBWDJIZHLDKS-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253256590 895751543 /nfs/dbraw/zinc/75/15/43/895751543.db2.gz CANWOPSEWRWXBV-GJZGRUSLSA-N 2 2 308.426 1.283 20 30 DDEDLP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082927 897277727 /nfs/dbraw/zinc/27/77/27/897277727.db2.gz ODWNIMYUFGSVBN-AWEZNQCLSA-N 2 2 307.438 1.990 20 30 DDEDLP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082927 897277736 /nfs/dbraw/zinc/27/77/36/897277736.db2.gz ODWNIMYUFGSVBN-AWEZNQCLSA-N 2 2 307.438 1.990 20 30 DDEDLP COCC#CC[N@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001278914917 897294281 /nfs/dbraw/zinc/29/42/81/897294281.db2.gz MZJHWZGAEHGLJC-UHFFFAOYSA-N 2 2 320.437 1.010 20 30 DDEDLP COCC#CC[N@@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001278914917 897294296 /nfs/dbraw/zinc/29/42/96/897294296.db2.gz MZJHWZGAEHGLJC-UHFFFAOYSA-N 2 2 320.437 1.010 20 30 DDEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+](CC)CC1 ZINC001262951806 900433598 /nfs/dbraw/zinc/43/35/98/900433598.db2.gz ACONXRHGQAKOIQ-UHFFFAOYSA-N 2 2 318.469 1.592 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264102191 900929948 /nfs/dbraw/zinc/92/99/48/900929948.db2.gz MAQOPLOSPLTLHR-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264102191 900929957 /nfs/dbraw/zinc/92/99/57/900929957.db2.gz MAQOPLOSPLTLHR-SJORKVTESA-N 2 2 314.433 1.467 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265484769 902061812 /nfs/dbraw/zinc/06/18/12/902061812.db2.gz OJDXOPVYIWAMFY-RBSFLKMASA-N 2 2 302.422 1.649 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265608644 902196221 /nfs/dbraw/zinc/19/62/21/902196221.db2.gz ADJVWRUMTGVPKD-OAHLLOKOSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102062 902945110 /nfs/dbraw/zinc/94/51/10/902945110.db2.gz BRYSQGRHDNQMPH-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266102062 902945115 /nfs/dbraw/zinc/94/51/15/902945115.db2.gz BRYSQGRHDNQMPH-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001280659996 903891802 /nfs/dbraw/zinc/89/18/02/903891802.db2.gz PIFYBXDQYDSHNG-CQSZACIVSA-N 2 2 320.437 1.471 20 30 DDEDLP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001281911863 905304659 /nfs/dbraw/zinc/30/46/59/905304659.db2.gz BEEXOARBSWOBMN-SJLPKXTDSA-N 2 2 308.385 1.278 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282879317 906142609 /nfs/dbraw/zinc/14/26/09/906142609.db2.gz VXZMTPUKEMGPBB-DZUCGIPZSA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282879317 906142618 /nfs/dbraw/zinc/14/26/18/906142618.db2.gz VXZMTPUKEMGPBB-DZUCGIPZSA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001282879317 906142625 /nfs/dbraw/zinc/14/26/25/906142625.db2.gz VXZMTPUKEMGPBB-DZUCGIPZSA-N 2 2 316.449 1.849 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001282879317 906142631 /nfs/dbraw/zinc/14/26/31/906142631.db2.gz VXZMTPUKEMGPBB-DZUCGIPZSA-N 2 2 316.449 1.849 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283205161 906884654 /nfs/dbraw/zinc/88/46/54/906884654.db2.gz XHTMGUUJRHKSEK-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001284291496 908780493 /nfs/dbraw/zinc/78/04/93/908780493.db2.gz GSNVQZNLOYXJKW-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001284291496 908780509 /nfs/dbraw/zinc/78/05/09/908780509.db2.gz GSNVQZNLOYXJKW-UMVBOHGHSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[NH+]1CCC(C2(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001284846786 909564066 /nfs/dbraw/zinc/56/40/66/909564066.db2.gz SZRBVHCNESPZSS-UHFFFAOYSA-N 2 2 300.406 1.336 20 30 DDEDLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377862529 923263422 /nfs/dbraw/zinc/26/34/22/923263422.db2.gz OKFNAGKALDREML-CHWSQXEVSA-N 2 2 311.389 1.507 20 30 DDEDLP N#Cc1ccc(NCCn2cc[nH+]c2)nc1NCCn1cc[nH+]c1 ZINC000278485273 214184567 /nfs/dbraw/zinc/18/45/67/214184567.db2.gz VRGZQXBVDROWDI-UHFFFAOYSA-N 2 2 322.376 1.570 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000163273318 539223930 /nfs/dbraw/zinc/22/39/30/539223930.db2.gz PEALXRKXVLRXPN-AWEZNQCLSA-N 2 2 316.449 1.980 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757174 529965182 /nfs/dbraw/zinc/96/51/82/529965182.db2.gz ZEEMRWCLDPHIKE-STQMWFEESA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757174 529965183 /nfs/dbraw/zinc/96/51/83/529965183.db2.gz ZEEMRWCLDPHIKE-STQMWFEESA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757174 529965184 /nfs/dbraw/zinc/96/51/84/529965184.db2.gz ZEEMRWCLDPHIKE-STQMWFEESA-N 2 2 305.426 1.455 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757174 529965185 /nfs/dbraw/zinc/96/51/85/529965185.db2.gz ZEEMRWCLDPHIKE-STQMWFEESA-N 2 2 305.426 1.455 20 30 DDEDLP N#Cc1cccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161296325 354242490 /nfs/dbraw/zinc/24/24/90/354242490.db2.gz VMIUSEHRDSPQNR-UHFFFAOYSA-N 2 2 321.384 1.714 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000321485395 354531714 /nfs/dbraw/zinc/53/17/14/354531714.db2.gz RRRJJKNAPRDNGA-INIZCTEOSA-N 2 2 314.389 1.564 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441147 356216951 /nfs/dbraw/zinc/21/69/51/356216951.db2.gz NSQXUSNZCOOYJH-AWEZNQCLSA-N 2 2 313.405 1.872 20 30 DDEDLP CO[C@](C)(CO)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594514430 356241431 /nfs/dbraw/zinc/24/14/31/356241431.db2.gz XRMQNCZXKXUJRF-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(CC#N)c1 ZINC000597990188 357408157 /nfs/dbraw/zinc/40/81/57/357408157.db2.gz QQBPSYGYGCOTLL-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(CC#N)c1 ZINC000597990188 357408162 /nfs/dbraw/zinc/40/81/62/357408162.db2.gz QQBPSYGYGCOTLL-UHFFFAOYSA-N 2 2 302.422 1.366 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCCO1 ZINC000261894753 283260297 /nfs/dbraw/zinc/26/02/97/283260297.db2.gz URYLFFLGMRMXKP-ZDUSSCGKSA-N 2 2 308.451 1.190 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)NC[C@@H]1CCCO1 ZINC000261894753 283260302 /nfs/dbraw/zinc/26/03/02/283260302.db2.gz URYLFFLGMRMXKP-ZDUSSCGKSA-N 2 2 308.451 1.190 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000602479949 359005710 /nfs/dbraw/zinc/00/57/10/359005710.db2.gz CMJVNGCTSZYWKQ-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000602479949 359005714 /nfs/dbraw/zinc/00/57/14/359005714.db2.gz CMJVNGCTSZYWKQ-MAUKXSAKSA-N 2 2 313.449 1.411 20 30 DDEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602863304 359247536 /nfs/dbraw/zinc/24/75/36/359247536.db2.gz MVGYCYHIZRWQLG-JKSUJKDBSA-N 2 2 314.433 1.784 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878077 359261225 /nfs/dbraw/zinc/26/12/25/359261225.db2.gz UDYVMBLPLFANEU-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878077 359261228 /nfs/dbraw/zinc/26/12/28/359261228.db2.gz UDYVMBLPLFANEU-KRWDZBQOSA-N 2 2 303.406 1.455 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCSC1 ZINC000330165044 223082224 /nfs/dbraw/zinc/08/22/24/223082224.db2.gz UGKFMCKAUMLBMF-AWEZNQCLSA-N 2 2 309.439 1.050 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091334266 193042568 /nfs/dbraw/zinc/04/25/68/193042568.db2.gz SNSUDVFAPOCFKJ-ZDUSSCGKSA-N 2 2 323.462 1.635 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969116 407073560 /nfs/dbraw/zinc/07/35/60/407073560.db2.gz NGKKEUCSIDCFEH-UHFFFAOYSA-N 2 2 316.449 1.323 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266205101 407534697 /nfs/dbraw/zinc/53/46/97/407534697.db2.gz MQSOGQMVZQHBDR-HNNXBMFYSA-N 2 2 304.394 1.184 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266205101 407534705 /nfs/dbraw/zinc/53/47/05/407534705.db2.gz MQSOGQMVZQHBDR-HNNXBMFYSA-N 2 2 304.394 1.184 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181260646 407971348 /nfs/dbraw/zinc/97/13/48/407971348.db2.gz WMNUEYBZPGRNNP-HNNXBMFYSA-N 2 2 302.422 1.627 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181260646 407971355 /nfs/dbraw/zinc/97/13/55/407971355.db2.gz WMNUEYBZPGRNNP-HNNXBMFYSA-N 2 2 302.422 1.627 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000269305307 408263822 /nfs/dbraw/zinc/26/38/22/408263822.db2.gz DICCTJQEXWJBFW-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264355991 408458809 /nfs/dbraw/zinc/45/88/09/408458809.db2.gz NMIUDSIMIVNTRA-AWEZNQCLSA-N 2 2 317.437 1.949 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815806 408542902 /nfs/dbraw/zinc/54/29/02/408542902.db2.gz IRNIUAJODCLNFP-XYJFISCASA-N 2 2 313.445 1.625 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815806 408542907 /nfs/dbraw/zinc/54/29/07/408542907.db2.gz IRNIUAJODCLNFP-XYJFISCASA-N 2 2 313.445 1.625 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192991 533679350 /nfs/dbraw/zinc/67/93/50/533679350.db2.gz YGYTXCDZHVUQBI-ZIAGYGMSSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192991 533679381 /nfs/dbraw/zinc/67/93/81/533679381.db2.gz YGYTXCDZHVUQBI-ZIAGYGMSSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@@H+](CCNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192991 533679366 /nfs/dbraw/zinc/67/93/66/533679366.db2.gz YGYTXCDZHVUQBI-ZIAGYGMSSA-N 2 2 305.426 1.433 20 30 DDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330192991 533679376 /nfs/dbraw/zinc/67/93/76/533679376.db2.gz YGYTXCDZHVUQBI-ZIAGYGMSSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(CC#N)CC3)C2)CC1 ZINC000373783564 418458908 /nfs/dbraw/zinc/45/89/08/418458908.db2.gz RFHVWZQUTFDSMX-AWEZNQCLSA-N 2 2 319.453 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(CC#N)CC3)C2)CC1 ZINC000373783564 418458911 /nfs/dbraw/zinc/45/89/11/418458911.db2.gz RFHVWZQUTFDSMX-AWEZNQCLSA-N 2 2 319.453 1.148 20 30 DDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206702 418504322 /nfs/dbraw/zinc/50/43/22/418504322.db2.gz FPZXSJXWTGIJCQ-UHFFFAOYSA-N 2 2 314.393 1.245 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280451594 418570907 /nfs/dbraw/zinc/57/09/07/418570907.db2.gz NQFKDPIOQFQWBH-NXHRZFHOSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280451594 418570910 /nfs/dbraw/zinc/57/09/10/418570910.db2.gz NQFKDPIOQFQWBH-NXHRZFHOSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280451594 418570913 /nfs/dbraw/zinc/57/09/13/418570913.db2.gz NQFKDPIOQFQWBH-NXHRZFHOSA-N 2 2 313.445 1.741 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280451594 418570915 /nfs/dbraw/zinc/57/09/15/418570915.db2.gz NQFKDPIOQFQWBH-NXHRZFHOSA-N 2 2 313.445 1.741 20 30 DDEDLP C#CCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367541537 418609868 /nfs/dbraw/zinc/60/98/68/418609868.db2.gz HVICBOKOSBXDRV-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367541537 418609871 /nfs/dbraw/zinc/60/98/71/418609871.db2.gz HVICBOKOSBXDRV-HNNXBMFYSA-N 2 2 306.454 1.210 20 30 DDEDLP C[C@@H]1C[NH+]=C(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)N1 ZINC000262680374 222289545 /nfs/dbraw/zinc/28/95/45/222289545.db2.gz VVOFPRYEYJFAQH-HIFRSBDPSA-N 2 2 304.463 1.541 20 30 DDEDLP C[C@@H]1C[NH+]=C(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)N1 ZINC000262680374 222289549 /nfs/dbraw/zinc/28/95/49/222289549.db2.gz VVOFPRYEYJFAQH-HIFRSBDPSA-N 2 2 304.463 1.541 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1C[C@H](C)C[C@H](C)C1 ZINC000262805245 222296028 /nfs/dbraw/zinc/29/60/28/222296028.db2.gz SCEKEYIIYHPXQY-BETUJISGSA-N 2 2 306.458 1.539 20 30 DDEDLP C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369480156 418733797 /nfs/dbraw/zinc/73/37/97/418733797.db2.gz KWBOWSRTQBANEX-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369480156 418733798 /nfs/dbraw/zinc/73/37/98/418733798.db2.gz KWBOWSRTQBANEX-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369816486 418737817 /nfs/dbraw/zinc/73/78/17/418737817.db2.gz TVCBGNGGKATIML-LSDHHAIUSA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369816486 418737819 /nfs/dbraw/zinc/73/78/19/418737819.db2.gz TVCBGNGGKATIML-LSDHHAIUSA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363709525 418768310 /nfs/dbraw/zinc/76/83/10/418768310.db2.gz CDEDLDICBJGZMD-YHUYYLMFSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363709525 418768314 /nfs/dbraw/zinc/76/83/14/418768314.db2.gz CDEDLDICBJGZMD-YHUYYLMFSA-N 2 2 309.454 1.156 20 30 DDEDLP C=C(Br)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374289 418722563 /nfs/dbraw/zinc/72/25/63/418722563.db2.gz ZJISZPUGHJDCEN-CYBMUJFWSA-N 2 2 316.287 1.995 20 30 DDEDLP C=C(Br)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374289 418722564 /nfs/dbraw/zinc/72/25/64/418722564.db2.gz ZJISZPUGHJDCEN-CYBMUJFWSA-N 2 2 316.287 1.995 20 30 DDEDLP C=CCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000415102467 419944025 /nfs/dbraw/zinc/94/40/25/419944025.db2.gz AUSRNHUKKXXUBM-HNNXBMFYSA-N 2 2 306.406 1.810 20 30 DDEDLP C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000415102467 419944033 /nfs/dbraw/zinc/94/40/33/419944033.db2.gz AUSRNHUKKXXUBM-HNNXBMFYSA-N 2 2 306.406 1.810 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449112580 420951624 /nfs/dbraw/zinc/95/16/24/420951624.db2.gz RUHZXXXVUDTWDF-PQUAAJSLSA-N 2 2 320.481 1.991 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449112580 420951628 /nfs/dbraw/zinc/95/16/28/420951628.db2.gz RUHZXXXVUDTWDF-PQUAAJSLSA-N 2 2 320.481 1.991 20 30 DDEDLP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000566351601 421606053 /nfs/dbraw/zinc/60/60/53/421606053.db2.gz SBILCWSVUQFTFG-KRWDZBQOSA-N 2 2 320.458 1.507 20 30 DDEDLP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000566351601 421606056 /nfs/dbraw/zinc/60/60/56/421606056.db2.gz SBILCWSVUQFTFG-KRWDZBQOSA-N 2 2 320.458 1.507 20 30 DDEDLP C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000662168299 424452717 /nfs/dbraw/zinc/45/27/17/424452717.db2.gz ARIOPHALLYNGNP-DGCLKSJQSA-N 2 2 300.362 1.540 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588609 267182493 /nfs/dbraw/zinc/18/24/93/267182493.db2.gz LYKNOLXAHMVRGM-LRDDRELGSA-N 2 2 318.396 1.688 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C#N)cc1F ZINC000358588609 267182495 /nfs/dbraw/zinc/18/24/95/267182495.db2.gz LYKNOLXAHMVRGM-LRDDRELGSA-N 2 2 318.396 1.688 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000491121846 275380907 /nfs/dbraw/zinc/38/09/07/275380907.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000491121846 275380908 /nfs/dbraw/zinc/38/09/08/275380908.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000491121846 275380909 /nfs/dbraw/zinc/38/09/09/275380909.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 3 2 314.477 1.837 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000491121846 275380910 /nfs/dbraw/zinc/38/09/10/275380910.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 3 2 314.477 1.837 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329639776 276222144 /nfs/dbraw/zinc/22/21/44/276222144.db2.gz WTEOFBCPEHJLGV-MJBXVCDLSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329639776 276222145 /nfs/dbraw/zinc/22/21/45/276222145.db2.gz WTEOFBCPEHJLGV-MJBXVCDLSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329639776 276222146 /nfs/dbraw/zinc/22/21/46/276222146.db2.gz WTEOFBCPEHJLGV-MJBXVCDLSA-N 2 2 319.453 1.986 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329639776 276222147 /nfs/dbraw/zinc/22/21/47/276222147.db2.gz WTEOFBCPEHJLGV-MJBXVCDLSA-N 2 2 319.453 1.986 20 30 DDEDLP C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329204818 290005652 /nfs/dbraw/zinc/00/56/52/290005652.db2.gz DGBWLVJRPDMFRR-CYBMUJFWSA-N 2 2 319.453 1.657 20 30 DDEDLP C[NH+](C)C1CCN(CC#CC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000351622606 336051925 /nfs/dbraw/zinc/05/19/25/336051925.db2.gz WUYNCFZFSILSPC-UHFFFAOYSA-N 3 2 306.498 1.042 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921026 336377162 /nfs/dbraw/zinc/37/71/62/336377162.db2.gz DRAWLASSAUAHSW-MYSGWJLTSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921026 336377163 /nfs/dbraw/zinc/37/71/63/336377163.db2.gz DRAWLASSAUAHSW-MYSGWJLTSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921026 336377164 /nfs/dbraw/zinc/37/71/64/336377164.db2.gz DRAWLASSAUAHSW-MYSGWJLTSA-N 2 2 306.454 1.598 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921026 336377165 /nfs/dbraw/zinc/37/71/65/336377165.db2.gz DRAWLASSAUAHSW-MYSGWJLTSA-N 2 2 306.454 1.598 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009110 341243123 /nfs/dbraw/zinc/24/31/23/341243123.db2.gz QMAGUXKXWZFVLI-ZIAGYGMSSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009110 341243124 /nfs/dbraw/zinc/24/31/24/341243124.db2.gz QMAGUXKXWZFVLI-ZIAGYGMSSA-N 2 2 302.422 1.699 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247548709 341367303 /nfs/dbraw/zinc/36/73/03/341367303.db2.gz PRTRKQWERGEJDJ-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247548709 341367304 /nfs/dbraw/zinc/36/73/04/341367304.db2.gz PRTRKQWERGEJDJ-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247548709 341367305 /nfs/dbraw/zinc/36/73/05/341367305.db2.gz PRTRKQWERGEJDJ-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247548709 341367306 /nfs/dbraw/zinc/36/73/06/341367306.db2.gz PRTRKQWERGEJDJ-NVXWUHKLSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100721 526768575 /nfs/dbraw/zinc/76/85/75/526768575.db2.gz STDJBGLQECVOCX-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000339100721 526768578 /nfs/dbraw/zinc/76/85/78/526768578.db2.gz STDJBGLQECVOCX-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000339100721 526768584 /nfs/dbraw/zinc/76/85/84/526768584.db2.gz STDJBGLQECVOCX-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C=CCOCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000339100721 526768588 /nfs/dbraw/zinc/76/85/88/526768588.db2.gz STDJBGLQECVOCX-GOSISDBHSA-N 2 2 304.434 1.758 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000490950350 526949574 /nfs/dbraw/zinc/94/95/74/526949574.db2.gz PVKWQGIDQFXBQU-DLBZAZTESA-N 2 2 313.445 1.546 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972006894 695138119 /nfs/dbraw/zinc/13/81/19/695138119.db2.gz VVPCWJSQPVWFPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006894 695138120 /nfs/dbraw/zinc/13/81/20/695138120.db2.gz VVPCWJSQPVWFPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006894 695138121 /nfs/dbraw/zinc/13/81/21/695138121.db2.gz VVPCWJSQPVWFPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006894 695138122 /nfs/dbraw/zinc/13/81/22/695138122.db2.gz VVPCWJSQPVWFPX-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043921 695784253 /nfs/dbraw/zinc/78/42/53/695784253.db2.gz WDHACHQUZDOPAK-HOCLYGCPSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975043921 695784254 /nfs/dbraw/zinc/78/42/54/695784254.db2.gz WDHACHQUZDOPAK-HOCLYGCPSA-N 2 2 314.433 1.214 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933410 696974171 /nfs/dbraw/zinc/97/41/71/696974171.db2.gz MBXHYVZCGQGTCG-AWEZNQCLSA-N 2 2 302.422 1.940 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000981933410 696974173 /nfs/dbraw/zinc/97/41/73/696974173.db2.gz MBXHYVZCGQGTCG-AWEZNQCLSA-N 2 2 302.422 1.940 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000981090564 697002122 /nfs/dbraw/zinc/00/21/22/697002122.db2.gz DKDQPXHVDGQBHZ-CVEARBPZSA-N 2 2 310.401 1.907 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982117027 697034505 /nfs/dbraw/zinc/03/45/05/697034505.db2.gz XGMLVGUMEVQUSJ-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982117027 697034508 /nfs/dbraw/zinc/03/45/08/697034508.db2.gz XGMLVGUMEVQUSJ-UHFFFAOYSA-N 2 2 316.449 1.853 20 30 DDEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000981436117 697096928 /nfs/dbraw/zinc/09/69/28/697096928.db2.gz FWTRMTXSIBMMIH-LSDHHAIUSA-N 2 2 323.400 1.531 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418507 697125684 /nfs/dbraw/zinc/12/56/84/697125684.db2.gz QMABWASLOJSHIG-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982418507 697125685 /nfs/dbraw/zinc/12/56/85/697125685.db2.gz QMABWASLOJSHIG-CALCHBBNSA-N 2 2 302.422 1.630 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982737068 697174548 /nfs/dbraw/zinc/17/45/48/697174548.db2.gz XRZWACUGPBLPSV-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982737068 697174550 /nfs/dbraw/zinc/17/45/50/697174550.db2.gz XRZWACUGPBLPSV-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000985494255 697519166 /nfs/dbraw/zinc/51/91/66/697519166.db2.gz BZSGFBBQTWNVQP-UHFFFAOYSA-N 2 2 301.390 1.189 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000985494255 697519168 /nfs/dbraw/zinc/51/91/68/697519168.db2.gz BZSGFBBQTWNVQP-UHFFFAOYSA-N 2 2 301.390 1.189 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985644069 697548996 /nfs/dbraw/zinc/54/89/96/697548996.db2.gz TXFAAZSZGUBTNX-AWEZNQCLSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000985644069 697548997 /nfs/dbraw/zinc/54/89/97/697548997.db2.gz TXFAAZSZGUBTNX-AWEZNQCLSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000985665916 697552462 /nfs/dbraw/zinc/55/24/62/697552462.db2.gz ALNLYVQFPVNQFJ-HUUCEWRRSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000985665916 697552465 /nfs/dbraw/zinc/55/24/65/697552465.db2.gz ALNLYVQFPVNQFJ-HUUCEWRRSA-N 2 2 302.422 1.632 20 30 DDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc(S(C)(=O)=O)c1 ZINC000776261422 698089145 /nfs/dbraw/zinc/08/91/45/698089145.db2.gz LXMKDVHVIOJGAD-UHFFFAOYSA-N 2 2 318.402 1.997 20 30 DDEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1N ZINC000814924048 701771836 /nfs/dbraw/zinc/77/18/36/701771836.db2.gz UNBAZVDSJNOVDE-UHFFFAOYSA-N 2 2 321.381 1.213 20 30 DDEDLP C=CCC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245153 702689207 /nfs/dbraw/zinc/68/92/07/702689207.db2.gz VKVKFZQWSWYUED-LSDHHAIUSA-N 2 2 320.437 1.042 20 30 DDEDLP C=CCC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000842245153 702689208 /nfs/dbraw/zinc/68/92/08/702689208.db2.gz VKVKFZQWSWYUED-LSDHHAIUSA-N 2 2 320.437 1.042 20 30 DDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000879593774 706731582 /nfs/dbraw/zinc/73/15/82/706731582.db2.gz MSCCKVODVITGSU-UHFFFAOYSA-N 2 2 316.424 1.909 20 30 DDEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN(O)C3=O)CC2)C1 ZINC000895162834 711438322 /nfs/dbraw/zinc/43/83/22/711438322.db2.gz OBYCJXOGHODAMM-BMFZPTHFSA-N 2 2 309.454 1.999 20 30 DDEDLP N#CC1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000895687071 711577777 /nfs/dbraw/zinc/57/77/77/711577777.db2.gz ZCXKNWRKIHHWLA-DAWZGUTISA-N 2 2 320.481 1.455 20 30 DDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000931278632 714055353 /nfs/dbraw/zinc/05/53/53/714055353.db2.gz IVNDFVVAQDOUMP-XDNAFOTISA-N 2 2 324.428 1.545 20 30 DDEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000931278632 714055355 /nfs/dbraw/zinc/05/53/55/714055355.db2.gz IVNDFVVAQDOUMP-XDNAFOTISA-N 2 2 324.428 1.545 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+])c(OC)c1 ZINC000923387609 714337613 /nfs/dbraw/zinc/33/76/13/714337613.db2.gz XAPNTDARLOXQHR-HNNXBMFYSA-N 2 2 322.449 1.833 20 30 DDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+])c(OC)c1 ZINC000923387609 714337615 /nfs/dbraw/zinc/33/76/15/714337615.db2.gz XAPNTDARLOXQHR-HNNXBMFYSA-N 2 2 322.449 1.833 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923400670 714342967 /nfs/dbraw/zinc/34/29/67/714342967.db2.gz XLZONNFOOCXXDO-HOCLYGCPSA-N 2 2 301.390 1.172 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000924034156 714512027 /nfs/dbraw/zinc/51/20/27/714512027.db2.gz AYBVBBWHQGXYOZ-HNNXBMFYSA-N 2 2 315.421 1.199 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000924034156 714512030 /nfs/dbraw/zinc/51/20/30/714512030.db2.gz AYBVBBWHQGXYOZ-HNNXBMFYSA-N 2 2 315.421 1.199 20 30 DDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000939414047 716240849 /nfs/dbraw/zinc/24/08/49/716240849.db2.gz UOQUOLVWNNLXNE-CZUORRHYSA-N 2 2 323.400 1.461 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278225 716892019 /nfs/dbraw/zinc/89/20/19/716892019.db2.gz ZVGIBRZHGZGOHZ-HZPDHXFCSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000961278225 716892023 /nfs/dbraw/zinc/89/20/23/716892023.db2.gz ZVGIBRZHGZGOHZ-HZPDHXFCSA-N 2 2 314.433 1.454 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283533 716895508 /nfs/dbraw/zinc/89/55/08/716895508.db2.gz DVVMJAWERYORHQ-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961283533 716895511 /nfs/dbraw/zinc/89/55/11/716895511.db2.gz DVVMJAWERYORHQ-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440157 716947692 /nfs/dbraw/zinc/94/76/92/716947692.db2.gz PSJPHNUPDOCXDQ-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000961440157 716947694 /nfs/dbraw/zinc/94/76/94/716947694.db2.gz PSJPHNUPDOCXDQ-QGZVFWFLSA-N 2 2 314.433 1.467 20 30 DDEDLP N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000962135486 717318897 /nfs/dbraw/zinc/31/88/97/717318897.db2.gz MHVWMFNQIINQFW-HWWDLCQESA-N 2 2 321.384 1.070 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000962135486 717318898 /nfs/dbraw/zinc/31/88/98/717318898.db2.gz MHVWMFNQIINQFW-HWWDLCQESA-N 2 2 321.384 1.070 20 30 DDEDLP N#Cc1cccc(C[NH2+]CC2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000962889132 717622782 /nfs/dbraw/zinc/62/27/82/717622782.db2.gz ZNIPCGNDQRAOPC-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373462 717764928 /nfs/dbraw/zinc/76/49/28/717764928.db2.gz HLILKTLVOFXWMO-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963373462 717764930 /nfs/dbraw/zinc/76/49/30/717764930.db2.gz HLILKTLVOFXWMO-CVEARBPZSA-N 2 2 314.433 1.679 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052708 719344050 /nfs/dbraw/zinc/34/40/50/719344050.db2.gz JGNVBLRZSBPVDY-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052708 719344053 /nfs/dbraw/zinc/34/40/53/719344053.db2.gz JGNVBLRZSBPVDY-GXTWGEPZSA-N 2 2 310.829 1.913 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968920685 719870271 /nfs/dbraw/zinc/87/02/71/719870271.db2.gz XQRZZRNGTODAOH-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968920685 719870279 /nfs/dbraw/zinc/87/02/79/719870279.db2.gz XQRZZRNGTODAOH-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969135293 719972449 /nfs/dbraw/zinc/97/24/49/719972449.db2.gz GIXIUTRBVWIARY-CHWSQXEVSA-N 2 2 308.813 1.389 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585817 735327755 /nfs/dbraw/zinc/32/77/55/735327755.db2.gz NBLSKOVTZABWAV-HUUCEWRRSA-N 2 2 314.433 1.681 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585817 735327756 /nfs/dbraw/zinc/32/77/56/735327756.db2.gz NBLSKOVTZABWAV-HUUCEWRRSA-N 2 2 314.433 1.681 20 30 DDEDLP C=CCOCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331698 733190173 /nfs/dbraw/zinc/19/01/73/733190173.db2.gz WUOCOXWFLSAXRU-UHFFFAOYSA-N 2 2 306.410 1.031 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C12CCC2 ZINC001203202836 733392224 /nfs/dbraw/zinc/39/22/24/733392224.db2.gz NSUICBXZKQYAII-LSDHHAIUSA-N 2 2 314.433 1.393 20 30 DDEDLP C#CC[NH2+]CC1(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001167455795 733596084 /nfs/dbraw/zinc/59/60/84/733596084.db2.gz BKEBJCPTIRKPCZ-UHFFFAOYSA-N 2 2 324.428 1.695 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440751 734912089 /nfs/dbraw/zinc/91/20/89/734912089.db2.gz WQQYRMPVMFZCFH-HZPDHXFCSA-N 2 2 316.449 1.450 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001023158834 735064452 /nfs/dbraw/zinc/06/44/52/735064452.db2.gz JITGGWBGUDEXGW-IYBDPMFKSA-N 2 2 309.373 1.192 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371330 735203492 /nfs/dbraw/zinc/20/34/92/735203492.db2.gz XUHPGEGIPXVYMP-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371330 735203493 /nfs/dbraw/zinc/20/34/93/735203493.db2.gz XUHPGEGIPXVYMP-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479713 735861325 /nfs/dbraw/zinc/86/13/25/735861325.db2.gz NYTFQOWGBHEHLY-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479713 735861327 /nfs/dbraw/zinc/86/13/27/735861327.db2.gz NYTFQOWGBHEHLY-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024486719 735864138 /nfs/dbraw/zinc/86/41/38/735864138.db2.gz HBFDPHLDQSFXHJ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024486719 735864142 /nfs/dbraw/zinc/86/41/42/735864142.db2.gz HBFDPHLDQSFXHJ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCF ZINC001024486719 735864146 /nfs/dbraw/zinc/86/41/46/735864146.db2.gz HBFDPHLDQSFXHJ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCF ZINC001024486719 735864149 /nfs/dbraw/zinc/86/41/49/735864149.db2.gz HBFDPHLDQSFXHJ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624283 735989874 /nfs/dbraw/zinc/98/98/74/735989874.db2.gz NXNRUDHCHHNTIN-INIZCTEOSA-N 2 2 317.433 1.949 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624283 735989876 /nfs/dbraw/zinc/98/98/76/735989876.db2.gz NXNRUDHCHHNTIN-INIZCTEOSA-N 2 2 317.433 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227857 736377908 /nfs/dbraw/zinc/37/79/08/736377908.db2.gz SWQYAPODEBYGBE-HZPDHXFCSA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001026494241 737610844 /nfs/dbraw/zinc/61/08/44/737610844.db2.gz GMZMFXNUYAXJQA-UHFFFAOYSA-N 2 2 310.401 1.907 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001037863662 751515284 /nfs/dbraw/zinc/51/52/84/751515284.db2.gz POJYYRHFVKWLKM-GOEBONIOSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001037883309 751531315 /nfs/dbraw/zinc/53/13/15/751531315.db2.gz SUHRGJKIYCXBTL-GJZGRUSLSA-N 2 2 310.401 1.798 20 30 DDEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167969644 740313960 /nfs/dbraw/zinc/31/39/60/740313960.db2.gz RKKLEEVKXGQXKD-INIZCTEOSA-N 2 2 324.428 1.736 20 30 DDEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167969644 740313962 /nfs/dbraw/zinc/31/39/62/740313962.db2.gz RKKLEEVKXGQXKD-INIZCTEOSA-N 2 2 324.428 1.736 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441672 740681782 /nfs/dbraw/zinc/68/17/82/740681782.db2.gz DEXPYXGICUPCQI-GJZGRUSLSA-N 2 2 318.421 1.172 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630633 740683800 /nfs/dbraw/zinc/68/38/00/740683800.db2.gz QXWHUAGGNHDZCQ-OWCLPIDISA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630633 740683802 /nfs/dbraw/zinc/68/38/02/740683802.db2.gz QXWHUAGGNHDZCQ-OWCLPIDISA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631190 740684243 /nfs/dbraw/zinc/68/42/43/740684243.db2.gz PEUJIVYFEKDTOW-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001087631190 740684246 /nfs/dbraw/zinc/68/42/46/740684246.db2.gz PEUJIVYFEKDTOW-BHYGNILZSA-N 2 2 314.433 1.438 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001037959985 751594691 /nfs/dbraw/zinc/59/46/91/751594691.db2.gz BQXUNAONHUNFBH-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187375 741100698 /nfs/dbraw/zinc/10/06/98/741100698.db2.gz UXSPGISLWWINHI-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187375 741100700 /nfs/dbraw/zinc/10/07/00/741100700.db2.gz UXSPGISLWWINHI-CABCVRRESA-N 2 2 302.422 1.319 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168256451 741850829 /nfs/dbraw/zinc/85/08/29/741850829.db2.gz ULOGBMMIFZIRKL-MRXNPFEDSA-N 2 2 321.465 1.159 20 30 DDEDLP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203444895 751746173 /nfs/dbraw/zinc/74/61/73/751746173.db2.gz VVQIXVWCNVSASO-LSDHHAIUSA-N 2 2 302.422 1.935 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184852177 744105152 /nfs/dbraw/zinc/10/51/52/744105152.db2.gz UEUXEXAXGIROHS-CVEARBPZSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185380054 744211430 /nfs/dbraw/zinc/21/14/30/744211430.db2.gz HOHAXRZBYXWNQX-YPMHNXCESA-N 2 2 310.829 1.779 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491763 744236224 /nfs/dbraw/zinc/23/62/24/744236224.db2.gz JLWSGEUDUHVKSV-LSDHHAIUSA-N 2 2 316.449 1.785 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501248 744237963 /nfs/dbraw/zinc/23/79/63/744237963.db2.gz CWPFJJBLKUBTTN-CABCVRRESA-N 2 2 304.438 1.613 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185490464 744244555 /nfs/dbraw/zinc/24/45/55/744244555.db2.gz ASUNZEOBFYUTRH-LSDHHAIUSA-N 2 2 316.449 1.785 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787591 744286102 /nfs/dbraw/zinc/28/61/02/744286102.db2.gz GTOLJAGABVOYLM-IRXDYDNUSA-N 2 2 316.449 1.761 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868055 744294120 /nfs/dbraw/zinc/29/41/20/744294120.db2.gz HXGDRPXHPIEWQA-TUVASFSCSA-N 2 2 302.422 1.679 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868055 744294124 /nfs/dbraw/zinc/29/41/24/744294124.db2.gz HXGDRPXHPIEWQA-TUVASFSCSA-N 2 2 302.422 1.679 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992397730 744852869 /nfs/dbraw/zinc/85/28/69/744852869.db2.gz OYDLPLDFGUIVEO-RDJZCZTQSA-N 2 2 302.422 1.652 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992397730 744852872 /nfs/dbraw/zinc/85/28/72/744852872.db2.gz OYDLPLDFGUIVEO-RDJZCZTQSA-N 2 2 302.422 1.652 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992799883 745206211 /nfs/dbraw/zinc/20/62/11/745206211.db2.gz ZYMDBMDJAGMILV-BZUAXINKSA-N 2 2 300.406 1.123 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992882196 745265997 /nfs/dbraw/zinc/26/59/97/745265997.db2.gz YMWNOMMYGMXALC-RBSFLKMASA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001191534090 745536423 /nfs/dbraw/zinc/53/64/23/745536423.db2.gz YIFFYVTWVMPJMG-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001191534090 745536425 /nfs/dbraw/zinc/53/64/25/745536425.db2.gz YIFFYVTWVMPJMG-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191534090 745536426 /nfs/dbraw/zinc/53/64/26/745536426.db2.gz YIFFYVTWVMPJMG-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191534090 745536429 /nfs/dbraw/zinc/53/64/29/745536429.db2.gz YIFFYVTWVMPJMG-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704160 746297418 /nfs/dbraw/zinc/29/74/18/746297418.db2.gz PVCJOODBBIEPQX-ZBFHGGJFSA-N 2 2 317.433 1.947 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704160 746297419 /nfs/dbraw/zinc/29/74/19/746297419.db2.gz PVCJOODBBIEPQX-ZBFHGGJFSA-N 2 2 317.433 1.947 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089408493 746817847 /nfs/dbraw/zinc/81/78/47/746817847.db2.gz BBAFNLCLLVQMGL-RBSFLKMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089408493 746817855 /nfs/dbraw/zinc/81/78/55/746817855.db2.gz BBAFNLCLLVQMGL-RBSFLKMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089408493 746817862 /nfs/dbraw/zinc/81/78/62/746817862.db2.gz BBAFNLCLLVQMGL-RBSFLKMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089408493 746817868 /nfs/dbraw/zinc/81/78/68/746817868.db2.gz BBAFNLCLLVQMGL-RBSFLKMASA-N 2 2 314.433 1.753 20 30 DDEDLP C#CCC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571496 748282244 /nfs/dbraw/zinc/28/22/44/748282244.db2.gz XTFAZOHDZFROEI-UHFFFAOYSA-N 2 2 310.401 1.860 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201525889 748540902 /nfs/dbraw/zinc/54/09/02/748540902.db2.gz WQKUAKFIFAENQT-HZPDHXFCSA-N 2 2 318.421 1.065 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007702821 752283447 /nfs/dbraw/zinc/28/34/47/752283447.db2.gz GECUAGFKIWZEMS-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001007702821 752283455 /nfs/dbraw/zinc/28/34/55/752283455.db2.gz GECUAGFKIWZEMS-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007708267 752287188 /nfs/dbraw/zinc/28/71/88/752287188.db2.gz VGEMXQHOFUIHDK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007708267 752287191 /nfs/dbraw/zinc/28/71/91/752287191.db2.gz VGEMXQHOFUIHDK-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726281 752296258 /nfs/dbraw/zinc/29/62/58/752296258.db2.gz IRWUPCMHFLCLOO-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007726281 752296263 /nfs/dbraw/zinc/29/62/63/752296263.db2.gz IRWUPCMHFLCLOO-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123370 748694552 /nfs/dbraw/zinc/69/45/52/748694552.db2.gz ZDROCRFKCUPQLO-UHFFFAOYSA-N 2 2 311.389 1.505 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033205311 748916076 /nfs/dbraw/zinc/91/60/76/748916076.db2.gz FAUYHGLVYUGQIJ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033205311 748916078 /nfs/dbraw/zinc/91/60/78/748916078.db2.gz FAUYHGLVYUGQIJ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206485 748919320 /nfs/dbraw/zinc/91/93/20/748919320.db2.gz JTARYQIWTHMZJQ-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033206485 748919322 /nfs/dbraw/zinc/91/93/22/748919322.db2.gz JTARYQIWTHMZJQ-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212675 748948468 /nfs/dbraw/zinc/94/84/68/748948468.db2.gz VBNDUADGASPSGB-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212675 748948471 /nfs/dbraw/zinc/94/84/71/748948471.db2.gz VBNDUADGASPSGB-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033418574 749317840 /nfs/dbraw/zinc/31/78/40/749317840.db2.gz ZQSXHNNASYGGIP-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033418574 749317844 /nfs/dbraw/zinc/31/78/44/749317844.db2.gz ZQSXHNNASYGGIP-ZIAGYGMSSA-N 2 2 300.406 1.386 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876569 750015540 /nfs/dbraw/zinc/01/55/40/750015540.db2.gz CDSANVKJMOTJAP-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033876569 750015547 /nfs/dbraw/zinc/01/55/47/750015547.db2.gz CDSANVKJMOTJAP-HOTGVXAUSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561502 750139683 /nfs/dbraw/zinc/13/96/83/750139683.db2.gz NJXIHWYZJHTKLE-LZLYRXPVSA-N 2 2 314.433 1.828 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561502 750139687 /nfs/dbraw/zinc/13/96/87/750139687.db2.gz NJXIHWYZJHTKLE-LZLYRXPVSA-N 2 2 314.433 1.828 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610194 750235975 /nfs/dbraw/zinc/23/59/75/750235975.db2.gz RRNAPYDYBNBEBH-SJLPKXTDSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610194 750235980 /nfs/dbraw/zinc/23/59/80/750235980.db2.gz RRNAPYDYBNBEBH-SJLPKXTDSA-N 2 2 314.433 1.347 20 30 DDEDLP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035231548 751332552 /nfs/dbraw/zinc/33/25/52/751332552.db2.gz ONARPGJBYHZJFD-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035231548 751332560 /nfs/dbraw/zinc/33/25/60/751332560.db2.gz ONARPGJBYHZJFD-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999792137 753147403 /nfs/dbraw/zinc/14/74/03/753147403.db2.gz MQOIGKXCFCGSCP-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999792137 753147406 /nfs/dbraw/zinc/14/74/06/753147406.db2.gz MQOIGKXCFCGSCP-HOTGVXAUSA-N 2 2 309.454 1.254 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001032727094 753364059 /nfs/dbraw/zinc/36/40/59/753364059.db2.gz XJBRSJJRXFBIGI-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001032727094 753364062 /nfs/dbraw/zinc/36/40/62/753364062.db2.gz XJBRSJJRXFBIGI-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032727094 753364064 /nfs/dbraw/zinc/36/40/64/753364064.db2.gz XJBRSJJRXFBIGI-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032727094 753364066 /nfs/dbraw/zinc/36/40/66/753364066.db2.gz XJBRSJJRXFBIGI-OKZBNKHCSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001822713 754524030 /nfs/dbraw/zinc/52/40/30/754524030.db2.gz OGPNXQOVEKOUJM-HNNXBMFYSA-N 2 2 314.433 1.681 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028664 756080797 /nfs/dbraw/zinc/08/07/97/756080797.db2.gz RRVFIMPRBXCHFD-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028664 756080803 /nfs/dbraw/zinc/08/08/03/756080803.db2.gz RRVFIMPRBXCHFD-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015711163 756487627 /nfs/dbraw/zinc/48/76/27/756487627.db2.gz ACKYIDUBMPTVHY-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015711163 756487631 /nfs/dbraw/zinc/48/76/31/756487631.db2.gz ACKYIDUBMPTVHY-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001082384852 756764110 /nfs/dbraw/zinc/76/41/10/756764110.db2.gz OOEWDGWXSRWOAA-OWCLPIDISA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384852 756764113 /nfs/dbraw/zinc/76/41/13/756764113.db2.gz OOEWDGWXSRWOAA-OWCLPIDISA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384852 756764116 /nfs/dbraw/zinc/76/41/16/756764116.db2.gz OOEWDGWXSRWOAA-OWCLPIDISA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384852 756764119 /nfs/dbraw/zinc/76/41/19/756764119.db2.gz OOEWDGWXSRWOAA-OWCLPIDISA-N 2 2 309.454 1.252 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016259651 756881211 /nfs/dbraw/zinc/88/12/11/756881211.db2.gz JDRYAVQSMSAZHO-SFHVURJKSA-N 2 2 322.412 1.434 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016259651 756881216 /nfs/dbraw/zinc/88/12/16/756881216.db2.gz JDRYAVQSMSAZHO-SFHVURJKSA-N 2 2 322.412 1.434 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097374874 757119141 /nfs/dbraw/zinc/11/91/41/757119141.db2.gz FQCVHQNDHNZYCU-IXKJSCDLSA-N 2 2 314.433 1.731 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001097374874 757119150 /nfs/dbraw/zinc/11/91/50/757119150.db2.gz FQCVHQNDHNZYCU-IXKJSCDLSA-N 2 2 314.433 1.731 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097738091 757446893 /nfs/dbraw/zinc/44/68/93/757446893.db2.gz YWTGAHALTXJDOD-KFWWJZLASA-N 2 2 303.406 1.862 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097738091 757446904 /nfs/dbraw/zinc/44/69/04/757446904.db2.gz YWTGAHALTXJDOD-KFWWJZLASA-N 2 2 303.406 1.862 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461716 757578818 /nfs/dbraw/zinc/57/88/18/757578818.db2.gz OENSXUQIMDSPHR-BFYDXBDKSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461716 757578823 /nfs/dbraw/zinc/57/88/23/757578823.db2.gz OENSXUQIMDSPHR-BFYDXBDKSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931942 758257894 /nfs/dbraw/zinc/25/78/94/758257894.db2.gz WMDRMDCXAANEJN-PMPSAXMXSA-N 2 2 315.417 1.700 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931942 758257902 /nfs/dbraw/zinc/25/79/02/758257902.db2.gz WMDRMDCXAANEJN-PMPSAXMXSA-N 2 2 315.417 1.700 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)O2 ZINC001053651943 758665254 /nfs/dbraw/zinc/66/52/54/758665254.db2.gz OUBYTZUBFLGMAP-JYJNAYRXSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)O2 ZINC001053651943 758665258 /nfs/dbraw/zinc/66/52/58/758665258.db2.gz OUBYTZUBFLGMAP-JYJNAYRXSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053926654 758964205 /nfs/dbraw/zinc/96/42/05/758964205.db2.gz KOKLQBXVJRLNSZ-CABCVRRESA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053926654 758964211 /nfs/dbraw/zinc/96/42/11/758964211.db2.gz KOKLQBXVJRLNSZ-CABCVRRESA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248699 759197288 /nfs/dbraw/zinc/19/72/88/759197288.db2.gz VQNVDVORXONIJA-NUEKZKHPSA-N 2 2 302.422 1.649 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205730 759290996 /nfs/dbraw/zinc/29/09/96/759290996.db2.gz WGRHGAUREBSXKK-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205730 759291001 /nfs/dbraw/zinc/29/10/01/759291001.db2.gz WGRHGAUREBSXKK-SJLPKXTDSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207739 760132900 /nfs/dbraw/zinc/13/29/00/760132900.db2.gz QUUZXPDNTKYGEB-WMZOPIPTSA-N 2 2 323.481 1.337 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207739 760132907 /nfs/dbraw/zinc/13/29/07/760132907.db2.gz QUUZXPDNTKYGEB-WMZOPIPTSA-N 2 2 323.481 1.337 20 30 DDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019707432 760191774 /nfs/dbraw/zinc/19/17/74/760191774.db2.gz DYALWPKMXODYTL-INIZCTEOSA-N 2 2 323.400 1.523 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108249386 761108844 /nfs/dbraw/zinc/10/88/44/761108844.db2.gz CBSFGYVBMCAAKO-DOTOQJQBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001108249386 761108848 /nfs/dbraw/zinc/10/88/48/761108848.db2.gz CBSFGYVBMCAAKO-DOTOQJQBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786386 763327970 /nfs/dbraw/zinc/32/79/70/763327970.db2.gz FZBXPWCLUAQVQA-QGZVFWFLSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786386 763327980 /nfs/dbraw/zinc/32/79/80/763327980.db2.gz FZBXPWCLUAQVQA-QGZVFWFLSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041854925 763408535 /nfs/dbraw/zinc/40/85/35/763408535.db2.gz BVHGHUJOKGZCIB-HNNXBMFYSA-N 2 2 308.813 1.560 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041854925 763408545 /nfs/dbraw/zinc/40/85/45/763408545.db2.gz BVHGHUJOKGZCIB-HNNXBMFYSA-N 2 2 308.813 1.560 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042035455 763582070 /nfs/dbraw/zinc/58/20/70/763582070.db2.gz QKLSJEFQPQVSRW-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001042035455 763582077 /nfs/dbraw/zinc/58/20/77/763582077.db2.gz QKLSJEFQPQVSRW-LSDHHAIUSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001050605575 763813733 /nfs/dbraw/zinc/81/37/33/763813733.db2.gz ORQXKFAIFQHGNX-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051190588 764600443 /nfs/dbraw/zinc/60/04/43/764600443.db2.gz PVXQTCKBSVTYFV-KRWDZBQOSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051190588 764600448 /nfs/dbraw/zinc/60/04/48/764600448.db2.gz PVXQTCKBSVTYFV-KRWDZBQOSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043124700 764689877 /nfs/dbraw/zinc/68/98/77/764689877.db2.gz RRCGMAIBDSCOTJ-AWEZNQCLSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001044601990 765689994 /nfs/dbraw/zinc/68/99/94/765689994.db2.gz GEKAVVQCZJFDJJ-CJNGLKHVSA-N 2 2 310.401 1.859 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001044606754 765694513 /nfs/dbraw/zinc/69/45/13/765694513.db2.gz HTCSMOCPXRCAKS-GJZGRUSLSA-N 2 2 314.433 1.364 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)c(C)s1 ZINC001129771476 766999389 /nfs/dbraw/zinc/99/93/89/766999389.db2.gz YFHHRHFTTZZQHY-AWEZNQCLSA-N 2 2 320.462 1.063 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)c(C)s1 ZINC001129771476 766999381 /nfs/dbraw/zinc/99/93/81/766999381.db2.gz YFHHRHFTTZZQHY-AWEZNQCLSA-N 2 2 320.462 1.063 20 30 DDEDLP C#CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001046329926 767428448 /nfs/dbraw/zinc/42/84/48/767428448.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001046329926 767428452 /nfs/dbraw/zinc/42/84/52/767428452.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046329926 767428457 /nfs/dbraw/zinc/42/84/57/767428457.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001046329926 767428460 /nfs/dbraw/zinc/42/84/60/767428460.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 2 315.421 1.004 20 30 DDEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426093 767547410 /nfs/dbraw/zinc/54/74/10/767547410.db2.gz NLMPWEONFQOUES-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 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/nfs/dbraw/zinc/94/78/29/836947829.db2.gz MLKMIXGNYQIVEU-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586087 838370616 /nfs/dbraw/zinc/37/06/16/838370616.db2.gz JZEUWZLRAKFSIW-CVEARBPZSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586087 838370622 /nfs/dbraw/zinc/37/06/22/838370622.db2.gz JZEUWZLRAKFSIW-CVEARBPZSA-N 2 2 316.449 1.802 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267691240 838647908 /nfs/dbraw/zinc/64/79/08/838647908.db2.gz WEUIAMXPUKKLAU-BZUAXINKSA-N 2 2 316.449 1.880 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267691240 838647912 /nfs/dbraw/zinc/64/79/12/838647912.db2.gz WEUIAMXPUKKLAU-BZUAXINKSA-N 2 2 316.449 1.880 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267789281 838983163 /nfs/dbraw/zinc/98/31/63/838983163.db2.gz CXKHGPFAOYTPHN-HNNXBMFYSA-N 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ZINC001269892022 842136618 /nfs/dbraw/zinc/13/66/18/842136618.db2.gz BYXHEXSMAWOWJK-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001269892022 842136623 /nfs/dbraw/zinc/13/66/23/842136623.db2.gz BYXHEXSMAWOWJK-QGZVFWFLSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CCC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001270262101 842434319 /nfs/dbraw/zinc/43/43/19/842434319.db2.gz ZWWAFMYFAUUHJU-UHFFFAOYSA-N 2 2 302.422 1.347 20 30 DDEDLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001270269243 842443813 /nfs/dbraw/zinc/44/38/13/842443813.db2.gz XQZVWWBMNNCQPX-GOSISDBHSA-N 2 2 322.412 1.585 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001326382144 861317184 /nfs/dbraw/zinc/31/71/84/861317184.db2.gz ONLFOROYJBHESP-HOTGVXAUSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491416 843646948 /nfs/dbraw/zinc/64/69/48/843646948.db2.gz RBOJZINXUPOFSF-HOCLYGCPSA-N 2 2 310.401 1.716 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001271638990 843748611 /nfs/dbraw/zinc/74/86/11/843748611.db2.gz JDPARBQFGOWVLU-LSDHHAIUSA-N 2 2 310.401 1.655 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272223052 844769174 /nfs/dbraw/zinc/76/91/74/844769174.db2.gz CHGHMXABCIYMEV-GDBMZVCRSA-N 2 2 318.421 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272223052 844769176 /nfs/dbraw/zinc/76/91/76/844769176.db2.gz CHGHMXABCIYMEV-GDBMZVCRSA-N 2 2 318.421 1.078 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001326648162 861508702 /nfs/dbraw/zinc/50/87/02/861508702.db2.gz QSJSFRYEHBUYRK-INIZCTEOSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001326648162 861508713 /nfs/dbraw/zinc/50/87/13/861508713.db2.gz QSJSFRYEHBUYRK-INIZCTEOSA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277102 848232439 /nfs/dbraw/zinc/23/24/39/848232439.db2.gz VAVBLYMETNMVSW-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034277102 848232449 /nfs/dbraw/zinc/23/24/49/848232449.db2.gz VAVBLYMETNMVSW-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283900 848252128 /nfs/dbraw/zinc/25/21/28/848252128.db2.gz XBOMNBHXXTYQFV-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034283900 848252135 /nfs/dbraw/zinc/25/21/35/848252135.db2.gz XBOMNBHXXTYQFV-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274217793 852045134 /nfs/dbraw/zinc/04/51/34/852045134.db2.gz IAHPYVFVCXBJEA-HIFRSBDPSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001328081383 862679590 /nfs/dbraw/zinc/67/95/90/862679590.db2.gz LHCWJCFVPBMGME-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001328081383 862679596 /nfs/dbraw/zinc/67/95/96/862679596.db2.gz LHCWJCFVPBMGME-AWEZNQCLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C[C@H](O)C[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001253599929 856148368 /nfs/dbraw/zinc/14/83/68/856148368.db2.gz BHBPIHKGLHIVGV-LBPRGKRZSA-N 2 2 301.481 1.574 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049559096 856975262 /nfs/dbraw/zinc/97/52/62/856975262.db2.gz UQQCMDQBYZLQJB-HYVNUMGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049559096 856975266 /nfs/dbraw/zinc/97/52/66/856975266.db2.gz UQQCMDQBYZLQJB-HYVNUMGLSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001049561786 856979791 /nfs/dbraw/zinc/97/97/91/856979791.db2.gz QLSODHOXZZOEDV-BHYGNILZSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001049561786 856979795 /nfs/dbraw/zinc/97/97/95/856979795.db2.gz QLSODHOXZZOEDV-BHYGNILZSA-N 2 2 312.417 1.144 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001072872482 857827126 /nfs/dbraw/zinc/82/71/26/857827126.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC001072872482 857827130 /nfs/dbraw/zinc/82/71/30/857827130.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001072872482 857827135 /nfs/dbraw/zinc/82/71/35/857827135.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 2 314.433 1.543 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC001072872482 857827139 /nfs/dbraw/zinc/82/71/39/857827139.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 2 314.433 1.543 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121897268 858623055 /nfs/dbraw/zinc/62/30/55/858623055.db2.gz XPKDKOSYLROZNC-WCWKGHBLSA-N 2 2 300.406 1.239 20 30 DDEDLP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121897268 858623060 /nfs/dbraw/zinc/62/30/60/858623060.db2.gz XPKDKOSYLROZNC-WCWKGHBLSA-N 2 2 300.406 1.239 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013344 860594086 /nfs/dbraw/zinc/59/40/86/860594086.db2.gz JCGBJNODGQTMKI-LSDHHAIUSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013344 860594090 /nfs/dbraw/zinc/59/40/90/860594090.db2.gz JCGBJNODGQTMKI-LSDHHAIUSA-N 2 2 300.406 1.383 20 30 DDEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930515 864237230 /nfs/dbraw/zinc/23/72/30/864237230.db2.gz NRJTWCHIRSHZOD-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930515 864237243 /nfs/dbraw/zinc/23/72/43/864237243.db2.gz NRJTWCHIRSHZOD-HZPDHXFCSA-N 2 2 304.438 1.930 20 30 DDEDLP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001330403629 864313318 /nfs/dbraw/zinc/31/33/18/864313318.db2.gz JVAHGDZTQJFGGZ-LSDHHAIUSA-N 2 2 320.437 1.134 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154883 864461023 /nfs/dbraw/zinc/46/10/23/864461023.db2.gz AWDMHDBJUKNJQO-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001158154883 864461027 /nfs/dbraw/zinc/46/10/27/864461027.db2.gz AWDMHDBJUKNJQO-CQSZACIVSA-N 2 2 318.421 1.296 20 30 DDEDLP N#Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)cc1Cl ZINC001158209311 864492050 /nfs/dbraw/zinc/49/20/50/864492050.db2.gz QIRXVSIJNYKKII-SSDOTTSWSA-N 2 2 312.160 1.308 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471419 864676601 /nfs/dbraw/zinc/67/66/01/864676601.db2.gz KFWIGPCLUVWXKJ-INIZCTEOSA-N 2 2 319.453 1.852 20 30 DDEDLP C=C(C)CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471419 864676609 /nfs/dbraw/zinc/67/66/09/864676609.db2.gz KFWIGPCLUVWXKJ-INIZCTEOSA-N 2 2 319.453 1.852 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001332145790 865612300 /nfs/dbraw/zinc/61/23/00/865612300.db2.gz KQGGZMIOUPZFAK-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001325429865 868025671 /nfs/dbraw/zinc/02/56/71/868025671.db2.gz VJAQFWRUTIMTTO-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(Br)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163589151 868549823 /nfs/dbraw/zinc/54/98/23/868549823.db2.gz VPLRMRQNPTZJOO-UHFFFAOYSA-N 2 2 315.215 1.278 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317325593 870646243 /nfs/dbraw/zinc/64/62/43/870646243.db2.gz HHOFKROJQDJOED-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001276436372 870901130 /nfs/dbraw/zinc/90/11/30/870901130.db2.gz NQFUGDVXCURNHO-UHFFFAOYSA-N 2 2 318.852 1.891 20 30 DDEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001341843541 871850046 /nfs/dbraw/zinc/85/00/46/871850046.db2.gz WXXKRBLYJFFECJ-LSDHHAIUSA-N 2 2 304.438 1.885 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238122 872154290 /nfs/dbraw/zinc/15/42/90/872154290.db2.gz HHUVLIHFZIEJRA-HNNXBMFYSA-N 2 2 314.433 1.681 20 30 DDEDLP C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917657 872362040 /nfs/dbraw/zinc/36/20/40/872362040.db2.gz HOVWZCWAHHSLIG-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316917657 872362063 /nfs/dbraw/zinc/36/20/63/872362063.db2.gz HOVWZCWAHHSLIG-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001206955721 872844363 /nfs/dbraw/zinc/84/43/63/872844363.db2.gz FFKNSXPZMQSOJQ-KRWDZBQOSA-N 2 2 314.433 1.146 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001208084450 873820831 /nfs/dbraw/zinc/82/08/31/873820831.db2.gz OXOWKHCYYMNHSO-OAHLLOKOSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453686 874158262 /nfs/dbraw/zinc/15/82/62/874158262.db2.gz NBFLOFPYSQCONP-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1C(F)(F)F ZINC001218659162 877645870 /nfs/dbraw/zinc/64/58/70/877645870.db2.gz NEYJFDCNAFQUDR-SNVBAGLBSA-N 2 2 324.266 1.204 20 30 DDEDLP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001379810037 878082269 /nfs/dbraw/zinc/08/22/69/878082269.db2.gz SJTKJZWYCCJFDU-LBPRGKRZSA-N 2 2 317.418 1.453 20 30 DDEDLP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001379810037 878082290 /nfs/dbraw/zinc/08/22/90/878082290.db2.gz SJTKJZWYCCJFDU-LBPRGKRZSA-N 2 2 317.418 1.453 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001357396220 879951424 /nfs/dbraw/zinc/95/14/24/879951424.db2.gz HXJQNMXOQHJXTG-CQSZACIVSA-N 2 2 301.390 1.241 20 30 DDEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276840079 880707541 /nfs/dbraw/zinc/70/75/41/880707541.db2.gz IRHDBOWFUAMYGU-UHFFFAOYSA-N 2 2 324.432 1.681 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC001234654782 888171413 /nfs/dbraw/zinc/17/14/13/888171413.db2.gz JRFWFEXKKLWMCZ-UHFFFAOYSA-N 2 2 317.481 1.818 20 30 DDEDLP Cn1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235063210 888389025 /nfs/dbraw/zinc/38/90/25/888389025.db2.gz OTQJCISQMNCDML-SFHVURJKSA-N 2 2 309.417 1.187 20 30 DDEDLP Cn1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235063210 888389030 /nfs/dbraw/zinc/38/90/30/888389030.db2.gz OTQJCISQMNCDML-SFHVURJKSA-N 2 2 309.417 1.187 20 30 DDEDLP N#CCCCC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001277949984 888691111 /nfs/dbraw/zinc/69/11/11/888691111.db2.gz POJBYJBCULIEBS-INIZCTEOSA-N 2 2 316.449 1.451 20 30 DDEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCF)CC1 ZINC001278168570 889958295 /nfs/dbraw/zinc/95/82/95/889958295.db2.gz DYVPPXOOUSIBSJ-UHFFFAOYSA-N 2 2 306.385 1.169 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552187 895271219 /nfs/dbraw/zinc/27/12/19/895271219.db2.gz HMNOJXDWGAMHTH-IXDOHACOSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552187 895271233 /nfs/dbraw/zinc/27/12/33/895271233.db2.gz HMNOJXDWGAMHTH-IXDOHACOSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552187 895271245 /nfs/dbraw/zinc/27/12/45/895271245.db2.gz HMNOJXDWGAMHTH-IXDOHACOSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552187 895271261 /nfs/dbraw/zinc/27/12/61/895271261.db2.gz HMNOJXDWGAMHTH-IXDOHACOSA-N 2 2 304.438 1.111 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595604 895297882 /nfs/dbraw/zinc/29/78/82/895297882.db2.gz IYBSUIUNPMJWKD-SQNIBIBYSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595604 895297900 /nfs/dbraw/zinc/29/79/00/895297900.db2.gz IYBSUIUNPMJWKD-SQNIBIBYSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595604 895297918 /nfs/dbraw/zinc/29/79/18/895297918.db2.gz IYBSUIUNPMJWKD-SQNIBIBYSA-N 2 2 318.465 1.501 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252595604 895297934 /nfs/dbraw/zinc/29/79/34/895297934.db2.gz IYBSUIUNPMJWKD-SQNIBIBYSA-N 2 2 318.465 1.501 20 30 DDEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001279012185 897835556 /nfs/dbraw/zinc/83/55/56/897835556.db2.gz KDEJLEYQVBEUSV-CABCVRRESA-N 2 2 310.401 1.798 20 30 DDEDLP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265121663 901591184 /nfs/dbraw/zinc/59/11/84/901591184.db2.gz YZDRRFIVHSQERN-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265121663 901591190 /nfs/dbraw/zinc/59/11/90/901591190.db2.gz YZDRRFIVHSQERN-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001265329860 901893824 /nfs/dbraw/zinc/89/38/24/901893824.db2.gz OJVZULFIBDCHGY-OAHLLOKOSA-N 2 2 302.422 1.820 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001265813418 902431408 /nfs/dbraw/zinc/43/14/08/902431408.db2.gz QMCIMOUIXUJKDL-GOEBONIOSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001265813418 902431416 /nfs/dbraw/zinc/43/14/16/902431416.db2.gz QMCIMOUIXUJKDL-GOEBONIOSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001370196271 902719890 /nfs/dbraw/zinc/71/98/90/902719890.db2.gz FGXLXOGQLIABDL-ZIAGYGMSSA-N 2 2 322.840 1.682 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001281943336 905342612 /nfs/dbraw/zinc/34/26/12/905342612.db2.gz YZKRROVOXJBRTC-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001281943336 905342627 /nfs/dbraw/zinc/34/26/27/905342627.db2.gz YZKRROVOXJBRTC-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001282930989 906269473 /nfs/dbraw/zinc/26/94/73/906269473.db2.gz ZRKQZPFRNKLQSK-ZIAGYGMSSA-N 2 2 320.437 1.469 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001283904398 908163348 /nfs/dbraw/zinc/16/33/48/908163348.db2.gz FUEILEZAVCLLHP-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001284603454 909240191 /nfs/dbraw/zinc/24/01/91/909240191.db2.gz IJNGCHZNTFIROL-HUUCEWRRSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001375931752 917290306 /nfs/dbraw/zinc/29/03/06/917290306.db2.gz GQSNXPHBLNQBAP-UHFFFAOYSA-N 2 2 310.829 1.854 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001377453400 921964097 /nfs/dbraw/zinc/96/40/97/921964097.db2.gz NCWTVGJDOUNTOV-STQMWFEESA-N 2 2 310.829 1.682 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000615779437 362437212 /nfs/dbraw/zinc/43/72/12/362437212.db2.gz BCPVIHZOHBSWPB-ZIAGYGMSSA-N 2 2 301.394 1.471 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000615779437 362437215 /nfs/dbraw/zinc/43/72/15/362437215.db2.gz BCPVIHZOHBSWPB-ZIAGYGMSSA-N 2 2 301.394 1.471 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757502 366037536 /nfs/dbraw/zinc/03/75/36/366037536.db2.gz YQDHHZPMBXWTKK-OAHLLOKOSA-N 2 2 306.406 1.416 20 30 DDEDLP C=CCOc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757502 366037543 /nfs/dbraw/zinc/03/75/43/366037543.db2.gz YQDHHZPMBXWTKK-OAHLLOKOSA-N 2 2 306.406 1.416 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](CCCSCC#N)CC2)cc[nH+]1 ZINC000080634719 353620151 /nfs/dbraw/zinc/62/01/51/353620151.db2.gz BVLCOZMXZKISBS-UHFFFAOYSA-N 2 2 320.466 1.311 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccc(C)o1 ZINC000087219211 353748558 /nfs/dbraw/zinc/74/85/58/353748558.db2.gz KORHHPLOELLIGS-LBPRGKRZSA-N 2 2 318.425 1.814 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000329732088 223019872 /nfs/dbraw/zinc/01/98/72/223019872.db2.gz QAZJWEWIFWMJPE-GFCCVEGCSA-N 2 2 305.426 1.645 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000329732088 223019874 /nfs/dbraw/zinc/01/98/74/223019874.db2.gz QAZJWEWIFWMJPE-GFCCVEGCSA-N 2 2 305.426 1.645 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601043138 358391798 /nfs/dbraw/zinc/39/17/98/358391798.db2.gz TUNPLHZYPVCUFU-UHFFFAOYSA-N 2 2 323.400 1.519 20 30 DDEDLP C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000602552447 359041169 /nfs/dbraw/zinc/04/11/69/359041169.db2.gz XBYSXNNUHKBDAF-HOTGVXAUSA-N 2 2 309.454 1.643 20 30 DDEDLP N#CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000602641399 359093359 /nfs/dbraw/zinc/09/33/59/359093359.db2.gz ATICEIBWQSIXLX-UHFFFAOYSA-N 2 2 315.417 1.791 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000602717893 359146122 /nfs/dbraw/zinc/14/61/22/359146122.db2.gz JTXHKVMJZOZDOZ-DOTOQJQBSA-N 2 2 321.465 1.928 20 30 DDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+](CC2CC2)CC1 ZINC000330183497 223082908 /nfs/dbraw/zinc/08/29/08/223082908.db2.gz PYYZALDHKWLGAX-HNNXBMFYSA-N 2 2 317.437 1.576 20 30 DDEDLP [O-]C(NC1CC[NH+](CC2CC2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330183497 223082910 /nfs/dbraw/zinc/08/29/10/223082910.db2.gz PYYZALDHKWLGAX-HNNXBMFYSA-N 2 2 317.437 1.576 20 30 DDEDLP CNC(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271863490 209276594 /nfs/dbraw/zinc/27/65/94/209276594.db2.gz KZNHGJPZWUKKTK-UHFFFAOYSA-N 2 2 314.433 1.638 20 30 DDEDLP C=C[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(=O)OC ZINC000619703197 364121280 /nfs/dbraw/zinc/12/12/80/364121280.db2.gz XPUUQRBDBFWHEU-AWEZNQCLSA-N 2 2 304.394 1.379 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641405 407588187 /nfs/dbraw/zinc/58/81/87/407588187.db2.gz UHDVVRDOOUMWHU-AEFFLSMTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266641405 407588192 /nfs/dbraw/zinc/58/81/92/407588192.db2.gz UHDVVRDOOUMWHU-AEFFLSMTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266641405 407588196 /nfs/dbraw/zinc/58/81/96/407588196.db2.gz UHDVVRDOOUMWHU-AEFFLSMTSA-N 2 2 313.445 1.578 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266641405 407588201 /nfs/dbraw/zinc/58/82/01/407588201.db2.gz UHDVVRDOOUMWHU-AEFFLSMTSA-N 2 2 313.445 1.578 20 30 DDEDLP C=CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181030593 407948088 /nfs/dbraw/zinc/94/80/88/407948088.db2.gz OFQVOALQSXKDNW-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000120169730 408120511 /nfs/dbraw/zinc/12/05/11/408120511.db2.gz PZQJCNCKXKGFMY-HNNXBMFYSA-N 2 2 300.406 1.809 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157499413 408307097 /nfs/dbraw/zinc/30/70/97/408307097.db2.gz FYXAYDCFXPLPRH-IRXDYDNUSA-N 2 2 320.481 1.945 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157499413 408307100 /nfs/dbraw/zinc/30/71/00/408307100.db2.gz FYXAYDCFXPLPRH-IRXDYDNUSA-N 2 2 320.481 1.945 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158892414 408369169 /nfs/dbraw/zinc/36/91/69/408369169.db2.gz GHSOPOHTTZNONG-ARFHVFGLSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158892414 408369172 /nfs/dbraw/zinc/36/91/72/408369172.db2.gz GHSOPOHTTZNONG-ARFHVFGLSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158892414 408369177 /nfs/dbraw/zinc/36/91/77/408369177.db2.gz GHSOPOHTTZNONG-ARFHVFGLSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158892414 408369179 /nfs/dbraw/zinc/36/91/79/408369179.db2.gz GHSOPOHTTZNONG-ARFHVFGLSA-N 2 2 306.454 1.411 20 30 DDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264623333 408544876 /nfs/dbraw/zinc/54/48/76/408544876.db2.gz IPUJUOQPMPUEAW-UHFFFAOYSA-N 2 2 310.401 1.659 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+](Cc2ccccc2)C1 ZINC000289179035 409230174 /nfs/dbraw/zinc/23/01/74/409230174.db2.gz AEIDLQMLVAVOEZ-WBVHZDCISA-N 2 2 324.432 1.650 20 30 DDEDLP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000289179035 409230176 /nfs/dbraw/zinc/23/01/76/409230176.db2.gz AEIDLQMLVAVOEZ-WBVHZDCISA-N 2 2 324.432 1.650 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735342 410428701 /nfs/dbraw/zinc/42/87/01/410428701.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329735342 410428703 /nfs/dbraw/zinc/42/87/03/410428703.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735342 410428705 /nfs/dbraw/zinc/42/87/05/410428705.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 2 305.426 1.597 20 30 DDEDLP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329735342 410428708 /nfs/dbraw/zinc/42/87/08/410428708.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 2 305.426 1.597 20 30 DDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000330224261 410591337 /nfs/dbraw/zinc/59/13/37/410591337.db2.gz AQOORGMCADEKHB-UKRRQHHQSA-N 2 2 324.469 1.368 20 30 DDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000330224261 410591341 /nfs/dbraw/zinc/59/13/41/410591341.db2.gz AQOORGMCADEKHB-UKRRQHHQSA-N 2 2 324.469 1.368 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000360427742 418431740 /nfs/dbraw/zinc/43/17/40/418431740.db2.gz VEPZCKBHMJRVMJ-SFHVURJKSA-N 2 2 311.429 1.428 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000360427742 418431743 /nfs/dbraw/zinc/43/17/43/418431743.db2.gz VEPZCKBHMJRVMJ-SFHVURJKSA-N 2 2 311.429 1.428 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261685792 222254709 /nfs/dbraw/zinc/25/47/09/222254709.db2.gz AJNJJZPLGAYELX-CYBMUJFWSA-N 2 2 301.394 1.428 20 30 DDEDLP CC[C@](C)(C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367517380 418607045 /nfs/dbraw/zinc/60/70/45/418607045.db2.gz AMTVOHUAPUAEKT-QGZVFWFLSA-N 2 2 320.481 1.993 20 30 DDEDLP CCNC(NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C)=[NH+]CC ZINC000264056860 222311458 /nfs/dbraw/zinc/31/14/58/222311458.db2.gz BJLOATHFCIKNLF-AWEZNQCLSA-N 2 2 322.453 1.882 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267461381 222386971 /nfs/dbraw/zinc/38/69/71/222386971.db2.gz VEMVBPJQVOYKCQ-ZIAGYGMSSA-N 2 2 303.410 1.597 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267461381 222386973 /nfs/dbraw/zinc/38/69/73/222386973.db2.gz VEMVBPJQVOYKCQ-ZIAGYGMSSA-N 2 2 303.410 1.597 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529474 418721062 /nfs/dbraw/zinc/72/10/62/418721062.db2.gz BQUSOENZCPPVIC-GDBMZVCRSA-N 2 2 306.454 1.112 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529474 418721066 /nfs/dbraw/zinc/72/10/66/418721066.db2.gz BQUSOENZCPPVIC-GDBMZVCRSA-N 2 2 306.454 1.112 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808911 418689038 /nfs/dbraw/zinc/68/90/38/418689038.db2.gz DPAUMBWDELBMNX-CABCVRRESA-N 2 2 302.422 1.781 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375808911 418689040 /nfs/dbraw/zinc/68/90/40/418689040.db2.gz DPAUMBWDELBMNX-CABCVRRESA-N 2 2 302.422 1.781 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415405 418765698 /nfs/dbraw/zinc/76/56/98/418765698.db2.gz WDNOYCXZTXVKPW-CVYDXHPNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415405 418765699 /nfs/dbraw/zinc/76/56/99/418765699.db2.gz WDNOYCXZTXVKPW-CVYDXHPNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415405 418765702 /nfs/dbraw/zinc/76/57/02/418765702.db2.gz WDNOYCXZTXVKPW-CVYDXHPNSA-N 2 2 318.465 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415405 418765703 /nfs/dbraw/zinc/76/57/03/418765703.db2.gz WDNOYCXZTXVKPW-CVYDXHPNSA-N 2 2 318.465 1.457 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578946951 422674781 /nfs/dbraw/zinc/67/47/81/422674781.db2.gz VYMUCVDSZWGDJJ-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578946951 422674784 /nfs/dbraw/zinc/67/47/84/422674784.db2.gz VYMUCVDSZWGDJJ-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651273420 423466088 /nfs/dbraw/zinc/46/60/88/423466088.db2.gz MOEHAVRAKQEALX-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159614 424445959 /nfs/dbraw/zinc/44/59/59/424445959.db2.gz JQWNFHUBJOSOQZ-WBVHZDCISA-N 2 2 321.465 1.107 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159614 424445966 /nfs/dbraw/zinc/44/59/66/424445966.db2.gz JQWNFHUBJOSOQZ-WBVHZDCISA-N 2 2 321.465 1.107 20 30 DDEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356140244 266116058 /nfs/dbraw/zinc/11/60/58/266116058.db2.gz TXGRERVDSPOMTD-AWEZNQCLSA-N 2 2 308.451 1.947 20 30 DDEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356140244 266116062 /nfs/dbraw/zinc/11/60/62/266116062.db2.gz TXGRERVDSPOMTD-AWEZNQCLSA-N 2 2 308.451 1.947 20 30 DDEDLP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958973 275732809 /nfs/dbraw/zinc/73/28/09/275732809.db2.gz JPCJDKBDYCOVNH-KBPBESRZSA-N 2 2 305.426 1.256 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000328599055 279713355 /nfs/dbraw/zinc/71/33/55/279713355.db2.gz BQBBPGOOAQIKPN-GJZGRUSLSA-N 2 2 315.421 1.621 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247011778 289251431 /nfs/dbraw/zinc/25/14/31/289251431.db2.gz XKPQGKBMOBLAPY-INMHGKMJSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247011778 289251432 /nfs/dbraw/zinc/25/14/32/289251432.db2.gz XKPQGKBMOBLAPY-INMHGKMJSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247011778 289251433 /nfs/dbraw/zinc/25/14/33/289251433.db2.gz XKPQGKBMOBLAPY-INMHGKMJSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247011778 289251434 /nfs/dbraw/zinc/25/14/34/289251434.db2.gz XKPQGKBMOBLAPY-INMHGKMJSA-N 2 2 318.465 1.696 20 30 DDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000366115834 307068263 /nfs/dbraw/zinc/06/82/63/307068263.db2.gz UXPVXIWVZAHEGM-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000366115834 307068264 /nfs/dbraw/zinc/06/82/64/307068264.db2.gz UXPVXIWVZAHEGM-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C[NH3+])C1 ZINC000583369791 332364865 /nfs/dbraw/zinc/36/48/65/332364865.db2.gz MGOCYWDJPRTIKD-GFCCVEGCSA-N 2 2 321.812 1.513 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C[NH3+])C1 ZINC000583369791 332364866 /nfs/dbraw/zinc/36/48/66/332364866.db2.gz MGOCYWDJPRTIKD-GFCCVEGCSA-N 2 2 321.812 1.513 20 30 DDEDLP COc1cc[nH+]c(N2CC[NH+](CCCSCC#N)CC2)c1 ZINC000074990364 341159079 /nfs/dbraw/zinc/15/90/79/341159079.db2.gz MEZCGDYFLMSFNT-UHFFFAOYSA-N 2 2 306.435 1.859 20 30 DDEDLP CC#CC[NH2+]Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455510 490633356 /nfs/dbraw/zinc/63/33/56/490633356.db2.gz JWPWAOOKKROPTM-GOSISDBHSA-N 2 2 309.417 1.838 20 30 DDEDLP CC#CC[NH2+]Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455510 490633358 /nfs/dbraw/zinc/63/33/58/490633358.db2.gz JWPWAOOKKROPTM-GOSISDBHSA-N 2 2 309.417 1.838 20 30 DDEDLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000330829345 526398665 /nfs/dbraw/zinc/39/86/65/526398665.db2.gz XHWYSZOSUKPBKZ-CYBMUJFWSA-N 2 2 321.425 1.424 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000490950355 526949922 /nfs/dbraw/zinc/94/99/22/526949922.db2.gz PVKWQGIDQFXBQU-IRXDYDNUSA-N 2 2 313.445 1.546 20 30 DDEDLP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491806711 526974602 /nfs/dbraw/zinc/97/46/02/526974602.db2.gz RNNCXERWVYZAHS-UHFFFAOYSA-N 2 2 319.371 1.475 20 30 DDEDLP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491806711 526974605 /nfs/dbraw/zinc/97/46/05/526974605.db2.gz RNNCXERWVYZAHS-UHFFFAOYSA-N 2 2 319.371 1.475 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000491688429 526983633 /nfs/dbraw/zinc/98/36/33/526983633.db2.gz BKZHWHXTWSVMGZ-GOSISDBHSA-N 2 2 313.445 1.861 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000971780919 695090702 /nfs/dbraw/zinc/09/07/02/695090702.db2.gz FSQDMPLVISLCAB-OAHLLOKOSA-N 2 2 303.406 1.742 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000971780919 695090708 /nfs/dbraw/zinc/09/07/08/695090708.db2.gz FSQDMPLVISLCAB-OAHLLOKOSA-N 2 2 303.406 1.742 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818206 695102160 /nfs/dbraw/zinc/10/21/60/695102160.db2.gz NESXWFMAOJXTBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971818206 695102163 /nfs/dbraw/zinc/10/21/63/695102163.db2.gz NESXWFMAOJXTBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818206 695102165 /nfs/dbraw/zinc/10/21/65/695102165.db2.gz NESXWFMAOJXTBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971818206 695102168 /nfs/dbraw/zinc/10/21/68/695102168.db2.gz NESXWFMAOJXTBX-HUUCEWRRSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822031 695103282 /nfs/dbraw/zinc/10/32/82/695103282.db2.gz RQXXIEYMVRJHEK-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822031 695103283 /nfs/dbraw/zinc/10/32/83/695103283.db2.gz RQXXIEYMVRJHEK-HUUCEWRRSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714832 695321343 /nfs/dbraw/zinc/32/13/43/695321343.db2.gz XANAFBLVHLLTHF-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000972714832 695321344 /nfs/dbraw/zinc/32/13/44/695321344.db2.gz XANAFBLVHLLTHF-HNNXBMFYSA-N 2 2 309.373 1.047 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028748 695780240 /nfs/dbraw/zinc/78/02/40/695780240.db2.gz MSIANRCQPKZARR-OCCSQVGLSA-N 2 2 302.422 1.842 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975028748 695780243 /nfs/dbraw/zinc/78/02/43/695780243.db2.gz MSIANRCQPKZARR-OCCSQVGLSA-N 2 2 302.422 1.842 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980139185 696690378 /nfs/dbraw/zinc/69/03/78/696690378.db2.gz FGMRSZMIPVPONX-JYJNAYRXSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980139185 696690380 /nfs/dbraw/zinc/69/03/80/696690380.db2.gz FGMRSZMIPVPONX-JYJNAYRXSA-N 2 2 322.412 1.798 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505281 696788670 /nfs/dbraw/zinc/78/86/70/696788670.db2.gz ZMOWPDYEUVTXLP-JKSUJKDBSA-N 2 2 302.422 1.403 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980505281 696788672 /nfs/dbraw/zinc/78/86/72/696788672.db2.gz ZMOWPDYEUVTXLP-JKSUJKDBSA-N 2 2 302.422 1.403 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000981167596 697024329 /nfs/dbraw/zinc/02/43/29/697024329.db2.gz QXBKSQBPYUIYFW-HUUCEWRRSA-N 2 2 302.422 1.577 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981474875 697106213 /nfs/dbraw/zinc/10/62/13/697106213.db2.gz 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/nfs/dbraw/zinc/50/88/44/751508844.db2.gz FVPDXDYRYSITDX-MRXNPFEDSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950116 740878836 /nfs/dbraw/zinc/87/88/36/740878836.db2.gz BQZXDGMHHLNOFR-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950116 740878838 /nfs/dbraw/zinc/87/88/38/740878838.db2.gz BQZXDGMHHLNOFR-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088010421 740945266 /nfs/dbraw/zinc/94/52/66/740945266.db2.gz UIWDSYLBYMXSSK-CVEARBPZSA-N 2 2 314.433 1.340 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088010421 740945268 /nfs/dbraw/zinc/94/52/68/740945268.db2.gz UIWDSYLBYMXSSK-CVEARBPZSA-N 2 2 314.433 1.340 20 30 DDEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001088338127 741411162 /nfs/dbraw/zinc/41/11/62/741411162.db2.gz VVTQWNVENNLIEZ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998321468 751720885 /nfs/dbraw/zinc/72/08/85/751720885.db2.gz NNKXDGWPTXEZBS-RYUDHWBXSA-N 2 2 316.327 1.438 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001168366227 742485965 /nfs/dbraw/zinc/48/59/65/742485965.db2.gz GLOPJNYSEXYDLS-MRXNPFEDSA-N 2 2 316.449 1.746 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242540 742622011 /nfs/dbraw/zinc/62/20/11/742622011.db2.gz IWCDBWJIZMJEMG-VHDGCEQUSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242540 742622015 /nfs/dbraw/zinc/62/20/15/742622015.db2.gz IWCDBWJIZMJEMG-VHDGCEQUSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242540 742622024 /nfs/dbraw/zinc/62/20/24/742622024.db2.gz IWCDBWJIZMJEMG-VHDGCEQUSA-N 2 2 311.857 1.613 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303454 742647780 /nfs/dbraw/zinc/64/77/80/742647780.db2.gz VRVFBCYYKHSJLF-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076303454 742647781 /nfs/dbraw/zinc/64/77/81/742647781.db2.gz VRVFBCYYKHSJLF-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC001030031465 743740916 /nfs/dbraw/zinc/74/09/16/743740916.db2.gz MFNXXLXNACHPIO-FOIPXRHGSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001030031465 743740920 /nfs/dbraw/zinc/74/09/20/743740920.db2.gz MFNXXLXNACHPIO-FOIPXRHGSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)C2)C1 ZINC001030031465 743740923 /nfs/dbraw/zinc/74/09/23/743740923.db2.gz MFNXXLXNACHPIO-FOIPXRHGSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)C2)C1 ZINC001030031465 743740926 /nfs/dbraw/zinc/74/09/26/743740926.db2.gz MFNXXLXNACHPIO-FOIPXRHGSA-N 2 2 317.477 1.711 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001183303866 743816889 /nfs/dbraw/zinc/81/68/89/743816889.db2.gz AXCSXCWZRJWFJC-CRAIPNDOSA-N 2 2 316.449 1.450 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185204547 744179645 /nfs/dbraw/zinc/17/96/45/744179645.db2.gz JRTWNWQCHGTTTP-WCQYABFASA-N 2 2 310.829 1.779 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106131245 744871925 /nfs/dbraw/zinc/87/19/25/744871925.db2.gz SBBFLKVOYCYCFD-CZUORRHYSA-N 2 2 310.401 1.574 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992451327 744883122 /nfs/dbraw/zinc/88/31/22/744883122.db2.gz XRGKKVCUUYTREU-RDJZCZTQSA-N 2 2 300.406 1.397 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992451327 744883124 /nfs/dbraw/zinc/88/31/24/744883124.db2.gz XRGKKVCUUYTREU-RDJZCZTQSA-N 2 2 300.406 1.397 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC000992762491 745183364 /nfs/dbraw/zinc/18/33/64/745183364.db2.gz ZXKDFAYPMKZAPU-ARFHVFGLSA-N 2 2 316.449 1.755 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988614 745396345 /nfs/dbraw/zinc/39/63/45/745396345.db2.gz HGPLODAZYIEQAJ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001190988614 745396351 /nfs/dbraw/zinc/39/63/51/745396351.db2.gz HGPLODAZYIEQAJ-CABCVRRESA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342727 745616296 /nfs/dbraw/zinc/61/62/96/745616296.db2.gz BLYMNGILZGOOIM-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193795475 746192520 /nfs/dbraw/zinc/19/25/20/746192520.db2.gz JLGQIMTUVDJOJA-MRXNPFEDSA-N 2 2 320.437 1.088 20 30 DDEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193795475 746192525 /nfs/dbraw/zinc/19/25/25/746192525.db2.gz JLGQIMTUVDJOJA-MRXNPFEDSA-N 2 2 320.437 1.088 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082905 748219364 /nfs/dbraw/zinc/21/93/64/748219364.db2.gz VRNZVLAPXHWVIS-LSDHHAIUSA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082905 748219366 /nfs/dbraw/zinc/21/93/66/748219366.db2.gz VRNZVLAPXHWVIS-LSDHHAIUSA-N 2 2 311.857 1.613 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004596980 748576414 /nfs/dbraw/zinc/57/64/14/748576414.db2.gz PJOBITHQUGGSHD-QGZVFWFLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004596980 748576417 /nfs/dbraw/zinc/57/64/17/748576417.db2.gz PJOBITHQUGGSHD-QGZVFWFLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704505 752284920 /nfs/dbraw/zinc/28/49/20/752284920.db2.gz KDAHTWATOBTGRL-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001007704505 752284926 /nfs/dbraw/zinc/28/49/26/752284926.db2.gz KDAHTWATOBTGRL-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706343 752285932 /nfs/dbraw/zinc/28/59/32/752285932.db2.gz PLMSYJVMOUUEMW-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706343 752285933 /nfs/dbraw/zinc/28/59/33/752285933.db2.gz PLMSYJVMOUUEMW-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980659 749314039 /nfs/dbraw/zinc/31/40/39/749314039.db2.gz QRTUWNXKUSPTOL-XJKSGUPXSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980659 749314043 /nfs/dbraw/zinc/31/40/43/749314043.db2.gz QRTUWNXKUSPTOL-XJKSGUPXSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996277151 749478768 /nfs/dbraw/zinc/47/87/68/749478768.db2.gz QZKJTXKPTBSNTJ-OCCSQVGLSA-N 2 2 300.406 1.289 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639930 750103196 /nfs/dbraw/zinc/10/31/96/750103196.db2.gz XDXIJWIFUIGJBG-FZKCQIBNSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639930 750103205 /nfs/dbraw/zinc/10/32/05/750103205.db2.gz XDXIJWIFUIGJBG-FZKCQIBNSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561501 750139380 /nfs/dbraw/zinc/13/93/80/750139380.db2.gz NJXIHWYZJHTKLE-JFIYKMOQSA-N 2 2 314.433 1.828 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561501 750139385 /nfs/dbraw/zinc/13/93/85/750139385.db2.gz NJXIHWYZJHTKLE-JFIYKMOQSA-N 2 2 314.433 1.828 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483807 750489913 /nfs/dbraw/zinc/48/99/13/750489913.db2.gz GLTJHXNUVDTNHZ-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483807 750489914 /nfs/dbraw/zinc/48/99/14/750489914.db2.gz GLTJHXNUVDTNHZ-OAHLLOKOSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032403346 750591732 /nfs/dbraw/zinc/59/17/32/750591732.db2.gz ZAQLSTZTRWBWBE-HOTGVXAUSA-N 2 2 308.385 1.565 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032403346 750591734 /nfs/dbraw/zinc/59/17/34/750591734.db2.gz ZAQLSTZTRWBWBE-HOTGVXAUSA-N 2 2 308.385 1.565 20 30 DDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001034674460 750664408 /nfs/dbraw/zinc/66/44/08/750664408.db2.gz MDZVFXHWQLZECP-KKUMJFAQSA-N 2 2 302.422 1.649 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606623 750830026 /nfs/dbraw/zinc/83/00/26/750830026.db2.gz 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C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001098359354 774548294 /nfs/dbraw/zinc/54/82/94/774548294.db2.gz ITLJXBZVJOOAFK-HIFRSBDPSA-N 2 2 315.421 1.108 20 30 DDEDLP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001093413366 774674646 /nfs/dbraw/zinc/67/46/46/774674646.db2.gz VALZFBOYCOREMK-UHFFFAOYSA-N 2 2 318.421 1.199 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881226 775946555 /nfs/dbraw/zinc/94/65/55/775946555.db2.gz RKPGYRVAQSFGGO-ZBFHGGJFSA-N 2 2 302.422 1.760 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001036881226 775946567 /nfs/dbraw/zinc/94/65/67/775946567.db2.gz RKPGYRVAQSFGGO-ZBFHGGJFSA-N 2 2 302.422 1.760 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577744 776352333 /nfs/dbraw/zinc/35/23/33/776352333.db2.gz WEBSBLCSVLPORX-LSDHHAIUSA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001100824434 776600987 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MVVJVBOEVDXIGR-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472309 778883599 /nfs/dbraw/zinc/88/35/99/778883599.db2.gz MVVJVBOEVDXIGR-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103478956 778888197 /nfs/dbraw/zinc/88/81/97/778888197.db2.gz FAGCMXRFLBVWBJ-BRWVUGGUSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103478956 778888203 /nfs/dbraw/zinc/88/82/03/778888203.db2.gz FAGCMXRFLBVWBJ-BRWVUGGUSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517054 779393959 /nfs/dbraw/zinc/39/39/59/779393959.db2.gz MQORSSUQALYRPJ-IHRRRGAJSA-N 2 2 300.406 1.432 20 30 DDEDLP CCN(CCO)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118236208 781071313 /nfs/dbraw/zinc/07/13/13/781071313.db2.gz FCWCANXGVVOMDH-UHFFFAOYSA-N 2 2 308.401 1.226 20 30 DDEDLP 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DDEDLP C#CCC[N@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267739413 838801657 /nfs/dbraw/zinc/80/16/57/838801657.db2.gz CSHWOSUANPSHOT-UHFFFAOYSA-N 2 2 316.449 1.546 20 30 DDEDLP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001267856137 839086395 /nfs/dbraw/zinc/08/63/95/839086395.db2.gz KLGCVZRLZOLCJA-CKEIUWERSA-N 2 2 302.422 1.964 20 30 DDEDLP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001267856137 839086397 /nfs/dbraw/zinc/08/63/97/839086397.db2.gz KLGCVZRLZOLCJA-CKEIUWERSA-N 2 2 302.422 1.964 20 30 DDEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001268212994 839844555 /nfs/dbraw/zinc/84/45/55/839844555.db2.gz XSYDEAZYCJZHPX-LSDHHAIUSA-N 2 2 302.422 1.199 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001268484341 840282613 /nfs/dbraw/zinc/28/26/13/840282613.db2.gz HABRWDXEMUWISB-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001268484341 840282624 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RGJNKDMUHDFRLR-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268736353 840740973 /nfs/dbraw/zinc/74/09/73/840740973.db2.gz RGJNKDMUHDFRLR-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001269078946 841182384 /nfs/dbraw/zinc/18/23/84/841182384.db2.gz AGDRFFPEDCGVCF-IAGOWNOFSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001269425164 841635607 /nfs/dbraw/zinc/63/56/07/841635607.db2.gz NQDLANYLEVSLLH-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001269812262 842071688 /nfs/dbraw/zinc/07/16/88/842071688.db2.gz AROPGWXWEPBDBA-HUUCEWRRSA-N 2 2 316.449 1.943 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001270771523 842890022 /nfs/dbraw/zinc/89/00/22/842890022.db2.gz ITZQNVQRZMKSHT-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272808282 847458860 /nfs/dbraw/zinc/45/88/60/847458860.db2.gz NSHTWLVWBBEYQF-AWEZNQCLSA-N 2 2 300.406 1.398 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189697 861815948 /nfs/dbraw/zinc/81/59/48/861815948.db2.gz VGOWGXJFXCJGFS-ZIAGYGMSSA-N 2 2 302.422 1.680 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189697 861815965 /nfs/dbraw/zinc/81/59/65/861815965.db2.gz VGOWGXJFXCJGFS-ZIAGYGMSSA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277798 848237842 /nfs/dbraw/zinc/23/78/42/848237842.db2.gz FOYPCNUFGMNDFA-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277798 848237851 /nfs/dbraw/zinc/23/78/51/848237851.db2.gz FOYPCNUFGMNDFA-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP CC(C)c1ccc(C#N)c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155371587 862003967 /nfs/dbraw/zinc/00/39/67/862003967.db2.gz BRAZFNVLGPCNAJ-INIZCTEOSA-N 2 2 313.449 1.936 20 30 DDEDLP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001327403246 862144508 /nfs/dbraw/zinc/14/45/08/862144508.db2.gz BRPUOSPTPKXAOJ-HOTGVXAUSA-N 2 2 321.465 1.396 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048590 851890521 /nfs/dbraw/zinc/89/05/21/851890521.db2.gz MVTUPHHGYKLPOG-OGZRUICASA-N 2 2 317.437 1.628 20 30 DDEDLP C=CCC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048590 851890533 /nfs/dbraw/zinc/89/05/33/851890533.db2.gz MVTUPHHGYKLPOG-OGZRUICASA-N 2 2 317.437 1.628 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751274 862427107 /nfs/dbraw/zinc/42/71/07/862427107.db2.gz LXKGJQFCGWYUJC-HUUCEWRRSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751274 862427113 /nfs/dbraw/zinc/42/71/13/862427113.db2.gz LXKGJQFCGWYUJC-HUUCEWRRSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751274 862427118 /nfs/dbraw/zinc/42/71/18/862427118.db2.gz LXKGJQFCGWYUJC-HUUCEWRRSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751274 862427124 /nfs/dbraw/zinc/42/71/24/862427124.db2.gz LXKGJQFCGWYUJC-HUUCEWRRSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275914005 853936504 /nfs/dbraw/zinc/93/65/04/853936504.db2.gz WRUCBVRQUFFDEO-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275914005 853936508 /nfs/dbraw/zinc/93/65/08/853936508.db2.gz WRUCBVRQUFFDEO-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275914005 853936511 /nfs/dbraw/zinc/93/65/11/853936511.db2.gz WRUCBVRQUFFDEO-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275914005 853936517 /nfs/dbraw/zinc/93/65/17/853936517.db2.gz WRUCBVRQUFFDEO-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277559 855405475 /nfs/dbraw/zinc/40/54/75/855405475.db2.gz XLIOQMJOOYZRTD-MCIONIFRSA-N 2 2 315.845 1.039 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277559 855405477 /nfs/dbraw/zinc/40/54/77/855405477.db2.gz XLIOQMJOOYZRTD-MCIONIFRSA-N 2 2 315.845 1.039 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544450 856955051 /nfs/dbraw/zinc/95/50/51/856955051.db2.gz CVTKWABRGRNNBX-JKSUJKDBSA-N 2 2 314.433 1.625 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544450 856955058 /nfs/dbraw/zinc/95/50/58/856955058.db2.gz CVTKWABRGRNNBX-JKSUJKDBSA-N 2 2 314.433 1.625 20 30 DDEDLP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140540731 860653120 /nfs/dbraw/zinc/65/31/20/860653120.db2.gz JRJGOAXFTIIFFE-UHFFFAOYSA-N 2 2 301.438 1.413 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Cl ZINC001140602331 860659863 /nfs/dbraw/zinc/65/98/63/860659863.db2.gz JTQPLZWLEPPDRO-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Cl ZINC001140602331 860659867 /nfs/dbraw/zinc/65/98/67/860659867.db2.gz JTQPLZWLEPPDRO-UHFFFAOYSA-N 2 2 306.841 1.891 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC001152324529 863275945 /nfs/dbraw/zinc/27/59/45/863275945.db2.gz WSRRNWCKUUACJZ-AWEZNQCLSA-N 2 2 318.421 1.095 20 30 DDEDLP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001329472966 863686224 /nfs/dbraw/zinc/68/62/24/863686224.db2.gz VXOZUXZUCQVBNJ-HOTGVXAUSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001329472966 863686231 /nfs/dbraw/zinc/68/62/31/863686231.db2.gz VXOZUXZUCQVBNJ-HOTGVXAUSA-N 2 2 304.438 1.930 20 30 DDEDLP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950377 863968278 /nfs/dbraw/zinc/96/82/78/863968278.db2.gz BKFNPDCVHONMGC-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950377 863968290 /nfs/dbraw/zinc/96/82/90/863968290.db2.gz BKFNPDCVHONMGC-OAHLLOKOSA-N 2 2 302.422 1.645 20 30 DDEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092913 864404973 /nfs/dbraw/zinc/40/49/73/864404973.db2.gz QKRHLYOTASQLES-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092913 864404978 /nfs/dbraw/zinc/40/49/78/864404978.db2.gz QKRHLYOTASQLES-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001330595317 864476377 /nfs/dbraw/zinc/47/63/77/864476377.db2.gz UNGNQACTLHXAES-MRXNPFEDSA-N 2 2 314.433 1.204 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158745056 864876773 /nfs/dbraw/zinc/87/67/73/864876773.db2.gz ZUQQEZZBDRKCNE-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158745056 864876780 /nfs/dbraw/zinc/87/67/80/864876780.db2.gz ZUQQEZZBDRKCNE-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@H+](C)CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331133213 864885983 /nfs/dbraw/zinc/88/59/83/864885983.db2.gz PMICDELKWXEKSL-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP CC#CC[N@@H+](C)CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331133213 864885991 /nfs/dbraw/zinc/88/59/91/864885991.db2.gz PMICDELKWXEKSL-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001319806325 866303378 /nfs/dbraw/zinc/30/33/78/866303378.db2.gz FIAJVAKGJOXYCP-HOTGVXAUSA-N 2 2 316.449 1.777 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]OC[C@H]3CCOC3)cc2F)CC1 ZINC001320647295 866915148 /nfs/dbraw/zinc/91/51/48/866915148.db2.gz RUQCWBHRQBGONC-HNNXBMFYSA-N 2 2 321.396 1.965 20 30 DDEDLP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324867834 867589595 /nfs/dbraw/zinc/58/95/95/867589595.db2.gz GGIKWNKSEAMFPX-HNNXBMFYSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001335456797 868311779 /nfs/dbraw/zinc/31/17/79/868311779.db2.gz HJNGWGNXSMPIKP-MSOLQXFVSA-N 2 2 302.418 1.158 20 30 DDEDLP C=CC[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccncc1 ZINC001338534075 870033344 /nfs/dbraw/zinc/03/33/44/870033344.db2.gz CQHOSAOWXCVLFG-INIZCTEOSA-N 2 2 317.437 1.421 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816485 870776852 /nfs/dbraw/zinc/77/68/52/870776852.db2.gz XXFWONBACVJPKH-CVEARBPZSA-N 2 2 314.433 1.704 20 30 DDEDLP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317482221 870897721 /nfs/dbraw/zinc/89/77/21/870897721.db2.gz POJALRRHBQRJMU-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317482221 870897727 /nfs/dbraw/zinc/89/77/27/870897727.db2.gz POJALRRHBQRJMU-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317880621 871613642 /nfs/dbraw/zinc/61/36/42/871613642.db2.gz YXXCTXNXNUCWGF-CQSZACIVSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001317880621 871613648 /nfs/dbraw/zinc/61/36/48/871613648.db2.gz YXXCTXNXNUCWGF-CQSZACIVSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317880621 871613657 /nfs/dbraw/zinc/61/36/57/871613657.db2.gz YXXCTXNXNUCWGF-CQSZACIVSA-N 2 2 302.422 1.392 20 30 DDEDLP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001317880621 871613664 /nfs/dbraw/zinc/61/36/64/871613664.db2.gz YXXCTXNXNUCWGF-CQSZACIVSA-N 2 2 302.422 1.392 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001318687849 872203201 /nfs/dbraw/zinc/20/32/01/872203201.db2.gz QJRPMWDMQKNZCH-DOTOQJQBSA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318687849 872203214 /nfs/dbraw/zinc/20/32/14/872203214.db2.gz QJRPMWDMQKNZCH-DOTOQJQBSA-N 2 2 309.454 1.158 20 30 DDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386949 874094942 /nfs/dbraw/zinc/09/49/42/874094942.db2.gz LQYKZFXEHPFYPH-JKSUJKDBSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001208451157 874156188 /nfs/dbraw/zinc/15/61/88/874156188.db2.gz SBSGCMUKRNKCEN-HUUCEWRRSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001208451157 874156197 /nfs/dbraw/zinc/15/61/97/874156197.db2.gz SBSGCMUKRNKCEN-HUUCEWRRSA-N 2 2 314.433 1.427 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378179477 874343005 /nfs/dbraw/zinc/34/30/05/874343005.db2.gz WBJSQWKZXYJAAA-CYBMUJFWSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378179477 874343020 /nfs/dbraw/zinc/34/30/20/874343020.db2.gz WBJSQWKZXYJAAA-CYBMUJFWSA-N 2 2 317.861 1.286 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208738479 874432692 /nfs/dbraw/zinc/43/26/92/874432692.db2.gz OSMKHGLSPLRBCK-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208738479 874432694 /nfs/dbraw/zinc/43/26/94/874432694.db2.gz OSMKHGLSPLRBCK-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209567639 874977490 /nfs/dbraw/zinc/97/74/90/874977490.db2.gz GVSXLTOZSHCWJG-ZIAGYGMSSA-N 2 2 300.406 1.434 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698801 875063862 /nfs/dbraw/zinc/06/38/62/875063862.db2.gz DVHQRPAVCXGKRE-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632855 876422165 /nfs/dbraw/zinc/42/21/65/876422165.db2.gz RYEOEWZRVJTRLQ-CZUORRHYSA-N 2 2 310.401 1.716 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001379111748 876431668 /nfs/dbraw/zinc/43/16/68/876431668.db2.gz FSAWNILCYCLDDI-UHFFFAOYSA-N 2 2 301.862 1.861 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001379111748 876431679 /nfs/dbraw/zinc/43/16/79/876431679.db2.gz FSAWNILCYCLDDI-UHFFFAOYSA-N 2 2 301.862 1.861 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008589 876538298 /nfs/dbraw/zinc/53/82/98/876538298.db2.gz SRVQJXZZKWXIHT-HLLBOEOZSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001379694061 877758325 /nfs/dbraw/zinc/75/83/25/877758325.db2.gz NMWYIVKSOPNGPZ-QWHCGFSZSA-N 2 2 310.829 1.888 20 30 DDEDLP N#Cc1cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222104223 880255187 /nfs/dbraw/zinc/25/51/87/880255187.db2.gz BVLSRJSWVSJMNA-UHFFFAOYSA-N 2 2 304.825 1.739 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307255 881324329 /nfs/dbraw/zinc/32/43/29/881324329.db2.gz YHUCJAQKUJXEEU-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307255 881324347 /nfs/dbraw/zinc/32/43/47/881324347.db2.gz YHUCJAQKUJXEEU-SJORKVTESA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529076 883537485 /nfs/dbraw/zinc/53/74/85/883537485.db2.gz NMLCLLLZLVHPJO-RBSFLKMASA-N 2 2 314.433 1.870 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001382358707 883900504 /nfs/dbraw/zinc/90/05/04/883900504.db2.gz VBOFPDANCPCNGO-STQMWFEESA-N 2 2 310.829 1.969 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001382358707 883900513 /nfs/dbraw/zinc/90/05/13/883900513.db2.gz VBOFPDANCPCNGO-STQMWFEESA-N 2 2 310.829 1.969 20 30 DDEDLP CCCCCCCCCCS(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238838694 890370788 /nfs/dbraw/zinc/37/07/88/890370788.db2.gz MELZVPHROCRQAB-UHFFFAOYSA-N 2 2 307.504 1.595 20 30 DDEDLP CCCCCCCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334901 890604133 /nfs/dbraw/zinc/60/41/33/890604133.db2.gz RLXFDOVGRKSBQG-UHFFFAOYSA-N 2 2 314.474 1.178 20 30 DDEDLP C=CCO[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001254646159 896547394 /nfs/dbraw/zinc/54/73/94/896547394.db2.gz WFTVPQWPWJPHFM-INIZCTEOSA-N 2 2 317.437 1.005 20 30 DDEDLP C=CCO[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001254646159 896547411 /nfs/dbraw/zinc/54/74/11/896547411.db2.gz WFTVPQWPWJPHFM-INIZCTEOSA-N 2 2 317.437 1.005 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266222958 903141736 /nfs/dbraw/zinc/14/17/36/903141736.db2.gz HIVJTIQLKBPFRQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266222958 903141747 /nfs/dbraw/zinc/14/17/47/903141747.db2.gz HIVJTIQLKBPFRQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001279264175 903206018 /nfs/dbraw/zinc/20/60/18/903206018.db2.gz GOKIMQPNUMETSE-UHFFFAOYSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001392786605 905255664 /nfs/dbraw/zinc/25/56/64/905255664.db2.gz UKCNPRLPZAUQTQ-ZFWWWQNUSA-N 2 2 322.840 1.682 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820754 906068895 /nfs/dbraw/zinc/06/88/95/906068895.db2.gz MMWXCRLNOZQINW-UKRRQHHQSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001282820754 906068913 /nfs/dbraw/zinc/06/89/13/906068913.db2.gz MMWXCRLNOZQINW-UKRRQHHQSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820754 906068930 /nfs/dbraw/zinc/06/89/30/906068930.db2.gz MMWXCRLNOZQINW-UKRRQHHQSA-N 2 2 302.422 1.438 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001282820754 906068944 /nfs/dbraw/zinc/06/89/44/906068944.db2.gz MMWXCRLNOZQINW-UKRRQHHQSA-N 2 2 302.422 1.438 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001283520163 907524198 /nfs/dbraw/zinc/52/41/98/907524198.db2.gz JDMZAADDEROAED-HNNXBMFYSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C(C)(C)C ZINC001284602746 909237202 /nfs/dbraw/zinc/23/72/02/909237202.db2.gz DRJRXQBCRLPOIN-HNNXBMFYSA-N 2 2 303.406 1.386 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633677 909252285 /nfs/dbraw/zinc/25/22/85/909252285.db2.gz PCRQGPOJGWEHPZ-RBSFLKMASA-N 2 2 302.422 1.506 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001375260670 915410791 /nfs/dbraw/zinc/41/07/91/915410791.db2.gz YIZGDWJZZJJIQL-KRWDZBQOSA-N 2 2 323.400 1.508 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000328662528 539298428 /nfs/dbraw/zinc/29/84/28/539298428.db2.gz AQWDATHOAVYZGJ-KGLIPLIRSA-N 2 2 307.442 1.420 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859409 353175439 /nfs/dbraw/zinc/17/54/39/353175439.db2.gz BISLVQRWHLYYRJ-KRWDZBQOSA-N 2 2 323.481 1.455 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859409 353175442 /nfs/dbraw/zinc/17/54/42/353175442.db2.gz BISLVQRWHLYYRJ-KRWDZBQOSA-N 2 2 323.481 1.455 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634367 353685879 /nfs/dbraw/zinc/68/58/79/353685879.db2.gz CEZSYSOJAQQCDM-GDBMZVCRSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634367 353685881 /nfs/dbraw/zinc/68/58/81/353685881.db2.gz CEZSYSOJAQQCDM-GDBMZVCRSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634367 353685884 /nfs/dbraw/zinc/68/58/84/353685884.db2.gz CEZSYSOJAQQCDM-GDBMZVCRSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634367 353685886 /nfs/dbraw/zinc/68/58/86/353685886.db2.gz CEZSYSOJAQQCDM-GDBMZVCRSA-N 2 2 306.454 1.411 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000081647518 353686358 /nfs/dbraw/zinc/68/63/58/353686358.db2.gz VHBOGHVXQUPGLD-GOSISDBHSA-N 2 2 311.429 1.601 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000081647518 353686359 /nfs/dbraw/zinc/68/63/59/353686359.db2.gz VHBOGHVXQUPGLD-GOSISDBHSA-N 2 2 311.429 1.601 20 30 DDEDLP C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579215300 354716775 /nfs/dbraw/zinc/71/67/75/354716775.db2.gz XCFJWFWIGGLLJV-HNNXBMFYSA-N 2 2 318.421 1.036 20 30 DDEDLP C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579215300 354716777 /nfs/dbraw/zinc/71/67/77/354716777.db2.gz XCFJWFWIGGLLJV-HNNXBMFYSA-N 2 2 318.421 1.036 20 30 DDEDLP COCC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000591473387 355319227 /nfs/dbraw/zinc/31/92/27/355319227.db2.gz NTENWMIYTNQKLC-UHFFFAOYSA-N 2 2 317.433 1.881 20 30 DDEDLP COCC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000591473387 355319229 /nfs/dbraw/zinc/31/92/29/355319229.db2.gz NTENWMIYTNQKLC-UHFFFAOYSA-N 2 2 317.433 1.881 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000595637356 356587325 /nfs/dbraw/zinc/58/73/25/356587325.db2.gz YVFDURAJMJCDIJ-UHFFFAOYSA-N 2 2 300.406 1.157 20 30 DDEDLP CC#CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603432629 359636060 /nfs/dbraw/zinc/63/60/60/359636060.db2.gz NPUVKAZRWGWPQE-LJQANCHMSA-N 2 2 311.429 1.887 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168451 223081588 /nfs/dbraw/zinc/08/15/88/223081588.db2.gz AWOMKTJMEVHPLW-MELADBBJSA-N 2 2 305.426 1.574 20 30 DDEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330168451 223081589 /nfs/dbraw/zinc/08/15/89/223081589.db2.gz AWOMKTJMEVHPLW-MELADBBJSA-N 2 2 305.426 1.574 20 30 DDEDLP CN(C(=O)NCC1(C#N)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619534506 364051677 /nfs/dbraw/zinc/05/16/77/364051677.db2.gz WXMBRRHUYKESKD-OAHLLOKOSA-N 2 2 319.453 1.100 20 30 DDEDLP CN(C(=O)NCC1(C#N)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619534506 364051684 /nfs/dbraw/zinc/05/16/84/364051684.db2.gz WXMBRRHUYKESKD-OAHLLOKOSA-N 2 2 319.453 1.100 20 30 DDEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567353351 304214006 /nfs/dbraw/zinc/21/40/06/304214006.db2.gz UJROZYRWBDSXFF-UHFFFAOYSA-N 2 2 312.421 1.906 20 30 DDEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567353351 304214008 /nfs/dbraw/zinc/21/40/08/304214008.db2.gz UJROZYRWBDSXFF-UHFFFAOYSA-N 2 2 312.421 1.906 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000109786896 194284915 /nfs/dbraw/zinc/28/49/15/194284915.db2.gz SUERMPMJLKSCOW-UHFFFAOYSA-N 2 2 319.453 1.449 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000109786896 194284918 /nfs/dbraw/zinc/28/49/18/194284918.db2.gz SUERMPMJLKSCOW-UHFFFAOYSA-N 2 2 319.453 1.449 20 30 DDEDLP C#CCOCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000153783440 407902655 /nfs/dbraw/zinc/90/26/55/407902655.db2.gz YXGOIKITWCXXLE-UHFFFAOYSA-N 2 2 321.465 1.093 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246133320 408150183 /nfs/dbraw/zinc/15/01/83/408150183.db2.gz ZSEMSWWCIRFEOO-WMZOPIPTSA-N 2 2 315.417 1.246 20 30 DDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246133320 408150189 /nfs/dbraw/zinc/15/01/89/408150189.db2.gz ZSEMSWWCIRFEOO-WMZOPIPTSA-N 2 2 315.417 1.246 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294460918 409291919 /nfs/dbraw/zinc/29/19/19/409291919.db2.gz HKKLYUCITAFZRZ-UHFFFAOYSA-N 2 2 309.373 1.048 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000342158631 409566356 /nfs/dbraw/zinc/56/63/56/409566356.db2.gz HNXIUXVKMBQNFZ-PTZATXGZSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000342158631 409566362 /nfs/dbraw/zinc/56/63/62/409566362.db2.gz HNXIUXVKMBQNFZ-PTZATXGZSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000342158631 409566370 /nfs/dbraw/zinc/56/63/70/409566370.db2.gz HNXIUXVKMBQNFZ-PTZATXGZSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000342158631 409566377 /nfs/dbraw/zinc/56/63/77/409566377.db2.gz HNXIUXVKMBQNFZ-PTZATXGZSA-N 2 2 308.466 1.985 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2cccs2)CC1 ZINC000261711768 222254995 /nfs/dbraw/zinc/25/49/95/222254995.db2.gz HIKRTJAVTLGGSJ-UHFFFAOYSA-N 2 2 318.450 1.342 20 30 DDEDLP COc1cccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000262517367 222284668 /nfs/dbraw/zinc/28/46/68/222284668.db2.gz GXZFQAGLLFIQGV-UHFFFAOYSA-N 2 2 302.382 1.422 20 30 DDEDLP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262659108 222289097 /nfs/dbraw/zinc/28/90/97/222289097.db2.gz MMLFDYXBXNMTHA-CABCVRRESA-N 2 2 301.438 1.134 20 30 DDEDLP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264112676 222319901 /nfs/dbraw/zinc/31/99/01/222319901.db2.gz RNRHUCGXTSFRAG-UHFFFAOYSA-N 2 2 302.422 1.499 20 30 DDEDLP CC(C)CNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267040022 222367896 /nfs/dbraw/zinc/36/78/96/222367896.db2.gz YVGNLASKCHGKFD-UHFFFAOYSA-N 2 2 306.410 1.157 20 30 DDEDLP C=CCOCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374964 418722058 /nfs/dbraw/zinc/72/20/58/418722058.db2.gz ZCDSRTSFSJJTHS-MRXNPFEDSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCOCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374964 418722060 /nfs/dbraw/zinc/72/20/60/418722060.db2.gz ZCDSRTSFSJJTHS-MRXNPFEDSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773105 418714575 /nfs/dbraw/zinc/71/45/75/418714575.db2.gz HKBSXEWPWVRGLL-QZTJIDSGSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773105 418714578 /nfs/dbraw/zinc/71/45/78/418714578.db2.gz HKBSXEWPWVRGLL-QZTJIDSGSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773105 418714580 /nfs/dbraw/zinc/71/45/80/418714580.db2.gz HKBSXEWPWVRGLL-QZTJIDSGSA-N 2 2 313.445 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773105 418714583 /nfs/dbraw/zinc/71/45/83/418714583.db2.gz HKBSXEWPWVRGLL-QZTJIDSGSA-N 2 2 313.445 1.743 20 30 DDEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C[NH+]1CCOCC1 ZINC000376181489 418693725 /nfs/dbraw/zinc/69/37/25/418693725.db2.gz MNEKHIFHRGJHSQ-ICUGJSFKSA-N 2 2 321.465 1.784 20 30 DDEDLP C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371084271 418761252 /nfs/dbraw/zinc/76/12/52/418761252.db2.gz CJYOPWMCTZFQPX-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CCCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371084271 418761255 /nfs/dbraw/zinc/76/12/55/418761255.db2.gz CJYOPWMCTZFQPX-HNNXBMFYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179506 418765821 /nfs/dbraw/zinc/76/58/21/418765821.db2.gz XTHFSXHLXJRMOH-OAHLLOKOSA-N 2 2 322.453 1.196 20 30 DDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179506 418765824 /nfs/dbraw/zinc/76/58/24/418765824.db2.gz XTHFSXHLXJRMOH-OAHLLOKOSA-N 2 2 322.453 1.196 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293055 418776845 /nfs/dbraw/zinc/77/68/45/418776845.db2.gz FFRLBBLRYPNTIG-BRWVUGGUSA-N 2 2 323.481 1.595 20 30 DDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293055 418776847 /nfs/dbraw/zinc/77/68/47/418776847.db2.gz FFRLBBLRYPNTIG-BRWVUGGUSA-N 2 2 323.481 1.595 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000365244527 418845398 /nfs/dbraw/zinc/84/53/98/418845398.db2.gz JRVOPVWTFMXMDC-MRXNPFEDSA-N 2 2 318.490 1.931 20 30 DDEDLP C[NH+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC1CC1 ZINC000365244527 418845399 /nfs/dbraw/zinc/84/53/99/418845399.db2.gz JRVOPVWTFMXMDC-MRXNPFEDSA-N 2 2 318.490 1.931 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447535665 420779527 /nfs/dbraw/zinc/77/95/27/420779527.db2.gz HQLCZXJKVODIEY-OAGGEKHMSA-N 2 2 306.454 1.601 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447535665 420779528 /nfs/dbraw/zinc/77/95/28/420779528.db2.gz HQLCZXJKVODIEY-OAGGEKHMSA-N 2 2 306.454 1.601 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459082046 420799274 /nfs/dbraw/zinc/79/92/74/420799274.db2.gz RNGJOZWLASSTHU-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(CC)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459082046 420799279 /nfs/dbraw/zinc/79/92/79/420799279.db2.gz RNGJOZWLASSTHU-HNNXBMFYSA-N 2 2 308.470 1.763 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000592155093 422332044 /nfs/dbraw/zinc/33/20/44/422332044.db2.gz XTSOQHIIWYCILB-AWEZNQCLSA-N 2 2 311.389 1.784 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662786812 424767230 /nfs/dbraw/zinc/76/72/30/424767230.db2.gz YQLFYEWVAKIHNH-GOSISDBHSA-N 2 2 314.433 1.424 20 30 DDEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606098 267002662 /nfs/dbraw/zinc/00/26/62/267002662.db2.gz CVAIXUHIVOVPAQ-GOEBONIOSA-N 2 2 310.405 1.575 20 30 DDEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000368606098 267002665 /nfs/dbraw/zinc/00/26/65/267002665.db2.gz CVAIXUHIVOVPAQ-GOEBONIOSA-N 2 2 310.405 1.575 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001120591188 782042502 /nfs/dbraw/zinc/04/25/02/782042502.db2.gz UVKDBLOWSATQQX-UHFFFAOYSA-N 2 2 324.428 1.252 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158794101 280101769 /nfs/dbraw/zinc/10/17/69/280101769.db2.gz ODYJKPZTWPUDNV-BFYDXBDKSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158794101 280101773 /nfs/dbraw/zinc/10/17/73/280101773.db2.gz ODYJKPZTWPUDNV-BFYDXBDKSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158794101 280101774 /nfs/dbraw/zinc/10/17/74/280101774.db2.gz ODYJKPZTWPUDNV-BFYDXBDKSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158794101 280101776 /nfs/dbraw/zinc/10/17/76/280101776.db2.gz ODYJKPZTWPUDNV-BFYDXBDKSA-N 2 2 306.454 1.457 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621513 298136600 /nfs/dbraw/zinc/13/66/00/298136600.db2.gz GRRPXJNQVBTNPN-KFWWJZLASA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621513 298136604 /nfs/dbraw/zinc/13/66/04/298136604.db2.gz GRRPXJNQVBTNPN-KFWWJZLASA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621513 298136607 /nfs/dbraw/zinc/13/66/07/298136607.db2.gz GRRPXJNQVBTNPN-KFWWJZLASA-N 2 2 304.438 1.211 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621513 298136609 /nfs/dbraw/zinc/13/66/09/298136609.db2.gz GRRPXJNQVBTNPN-KFWWJZLASA-N 2 2 304.438 1.211 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccncc3C#N)CC2)CC1 ZINC000548162868 303573724 /nfs/dbraw/zinc/57/37/24/303573724.db2.gz LFHKEOIMWLOSSO-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309907 308236158 /nfs/dbraw/zinc/23/61/58/308236158.db2.gz HVLJPQGDUCJJHP-KRWDZBQOSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309907 308236159 /nfs/dbraw/zinc/23/61/59/308236159.db2.gz HVLJPQGDUCJJHP-KRWDZBQOSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309907 308236161 /nfs/dbraw/zinc/23/61/61/308236161.db2.gz HVLJPQGDUCJJHP-KRWDZBQOSA-N 2 2 316.449 1.383 20 30 DDEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000573309907 308236162 /nfs/dbraw/zinc/23/61/62/308236162.db2.gz HVLJPQGDUCJJHP-KRWDZBQOSA-N 2 2 316.449 1.383 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000531361394 333346290 /nfs/dbraw/zinc/34/62/90/333346290.db2.gz UZKFXXNATBTPFR-UHFFFAOYSA-N 2 2 311.389 1.449 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244258 336397717 /nfs/dbraw/zinc/39/77/17/336397717.db2.gz BTNCWJBJYXWFJK-WMLDXEAASA-N 2 2 317.437 1.963 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131772717 341111510 /nfs/dbraw/zinc/11/15/10/341111510.db2.gz XTALXPPFJHREHV-HNNXBMFYSA-N 2 2 302.378 1.297 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131772717 341111511 /nfs/dbraw/zinc/11/15/11/341111511.db2.gz XTALXPPFJHREHV-HNNXBMFYSA-N 2 2 302.378 1.297 20 30 DDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202705 533827572 /nfs/dbraw/zinc/82/75/72/533827572.db2.gz ZQMJMIRARHLYDP-QLFBSQMISA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202705 533827585 /nfs/dbraw/zinc/82/75/85/533827585.db2.gz ZQMJMIRARHLYDP-QLFBSQMISA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330202705 533827594 /nfs/dbraw/zinc/82/75/94/533827594.db2.gz ZQMJMIRARHLYDP-QLFBSQMISA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330202705 533827600 /nfs/dbraw/zinc/82/76/00/533827600.db2.gz ZQMJMIRARHLYDP-QLFBSQMISA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202704 533826256 /nfs/dbraw/zinc/82/62/56/533826256.db2.gz ZQMJMIRARHLYDP-ILXRZTDVSA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202704 533826266 /nfs/dbraw/zinc/82/62/66/533826266.db2.gz ZQMJMIRARHLYDP-ILXRZTDVSA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330202704 533826277 /nfs/dbraw/zinc/82/62/77/533826277.db2.gz ZQMJMIRARHLYDP-ILXRZTDVSA-N 2 2 319.453 1.822 20 30 DDEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330202704 533826289 /nfs/dbraw/zinc/82/62/89/533826289.db2.gz ZQMJMIRARHLYDP-ILXRZTDVSA-N 2 2 319.453 1.822 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)CCC2 ZINC000330101366 534512307 /nfs/dbraw/zinc/51/23/07/534512307.db2.gz FLUIOHZKAMTHSU-GJZGRUSLSA-N 2 2 319.453 1.866 20 30 DDEDLP C=CCN1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1=O ZINC000339661413 526499082 /nfs/dbraw/zinc/49/90/82/526499082.db2.gz VDIJDWBDVJQTAK-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@H]([NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1=O ZINC000339661413 526499087 /nfs/dbraw/zinc/49/90/87/526499087.db2.gz VDIJDWBDVJQTAK-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1=O ZINC000339661413 526499090 /nfs/dbraw/zinc/49/90/90/526499090.db2.gz VDIJDWBDVJQTAK-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCN1CC[C@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1=O ZINC000339661413 526499093 /nfs/dbraw/zinc/49/90/93/526499093.db2.gz VDIJDWBDVJQTAK-WFVVYAPDSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)nn1 ZINC000424295565 527374630 /nfs/dbraw/zinc/37/46/30/527374630.db2.gz MZKPYLAMHZQOIV-WBVHZDCISA-N 2 2 321.469 1.691 20 30 DDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)nn1 ZINC000424295565 527374635 /nfs/dbraw/zinc/37/46/35/527374635.db2.gz MZKPYLAMHZQOIV-WBVHZDCISA-N 2 2 321.469 1.691 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282931 527803209 /nfs/dbraw/zinc/80/32/09/527803209.db2.gz VTQQYGIZUWTSTN-KBPBESRZSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282931 527803216 /nfs/dbraw/zinc/80/32/16/527803216.db2.gz VTQQYGIZUWTSTN-KBPBESRZSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282931 527803218 /nfs/dbraw/zinc/80/32/18/527803218.db2.gz VTQQYGIZUWTSTN-KBPBESRZSA-N 2 2 305.426 1.386 20 30 DDEDLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330282931 527803219 /nfs/dbraw/zinc/80/32/19/527803219.db2.gz VTQQYGIZUWTSTN-KBPBESRZSA-N 2 2 305.426 1.386 20 30 DDEDLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347043705 528567498 /nfs/dbraw/zinc/56/74/98/528567498.db2.gz QKLSSIAUVCHUBM-OAHLLOKOSA-N 2 2 324.469 1.228 20 30 DDEDLP CC(C)[N@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330426340 528814253 /nfs/dbraw/zinc/81/42/53/528814253.db2.gz GQFLPHQFUHFFSM-UHFFFAOYSA-N 2 2 319.453 1.894 20 30 DDEDLP CC(C)[N@@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330426340 528814257 /nfs/dbraw/zinc/81/42/57/528814257.db2.gz GQFLPHQFUHFFSM-UHFFFAOYSA-N 2 2 319.453 1.894 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734030 695721459 /nfs/dbraw/zinc/72/14/59/695721459.db2.gz KWMBPYKLYDMWAM-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974734030 695721460 /nfs/dbraw/zinc/72/14/60/695721460.db2.gz KWMBPYKLYDMWAM-ZBFHGGJFSA-N 2 2 316.449 1.848 20 30 DDEDLP C[NH+]1CCC(CNC(=[NH2+])NC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000262661688 698477486 /nfs/dbraw/zinc/47/74/86/698477486.db2.gz LVCUAXZBPKXSSJ-UHFFFAOYSA-N 3 2 321.513 1.784 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000303888153 698610014 /nfs/dbraw/zinc/61/00/14/698610014.db2.gz OSHMSHAVJFNADR-NWDGAFQWSA-N 2 2 310.467 1.434 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000303888153 698610015 /nfs/dbraw/zinc/61/00/15/698610015.db2.gz OSHMSHAVJFNADR-NWDGAFQWSA-N 2 2 310.467 1.434 20 30 DDEDLP CC(C)OCCO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000812239671 702129540 /nfs/dbraw/zinc/12/95/40/702129540.db2.gz ZWYAAYPZGBVJAZ-UHFFFAOYSA-N 2 2 307.398 1.004 20 30 DDEDLP O=C(C#CC1CC[NH2+]CC1)NCCCCNc1cccc[nH+]1 ZINC000852864586 704152934 /nfs/dbraw/zinc/15/29/34/704152934.db2.gz AQZQIKGVHFDZBY-UHFFFAOYSA-N 2 2 300.406 1.393 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877009471 705957705 /nfs/dbraw/zinc/95/77/05/705957705.db2.gz NNJRYMTZERMNKE-UHFFFAOYSA-N 2 2 309.435 1.074 20 30 DDEDLP C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021489 710542673 /nfs/dbraw/zinc/54/26/73/710542673.db2.gz GHGVRNPAYBSKIY-HZPDHXFCSA-N 2 2 318.465 1.352 20 30 DDEDLP C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021489 710542674 /nfs/dbraw/zinc/54/26/74/710542674.db2.gz GHGVRNPAYBSKIY-HZPDHXFCSA-N 2 2 318.465 1.352 20 30 DDEDLP CC(=O)NCCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000902282619 710696260 /nfs/dbraw/zinc/69/62/60/710696260.db2.gz UGJCXMHQJXFUHW-UHFFFAOYSA-N 2 2 320.437 1.692 20 30 DDEDLP N#CC1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000903933017 711340122 /nfs/dbraw/zinc/34/01/22/711340122.db2.gz JTEUOKOVPVEONK-AWEZNQCLSA-N 2 2 302.426 1.766 20 30 DDEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000905554878 712076417 /nfs/dbraw/zinc/07/64/17/712076417.db2.gz ZSNIFSWGUNOAGZ-HZPDHXFCSA-N 2 2 304.438 1.965 20 30 DDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923429326 714353305 /nfs/dbraw/zinc/35/33/05/714353305.db2.gz ZNZVBOUBLQFRSY-DOTOQJQBSA-N 2 2 315.417 1.562 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961172001 716848207 /nfs/dbraw/zinc/84/82/07/716848207.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961172001 716848212 /nfs/dbraw/zinc/84/82/12/716848212.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961172001 716848215 /nfs/dbraw/zinc/84/82/15/716848215.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000961172001 716848220 /nfs/dbraw/zinc/84/82/20/716848220.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850589 716992245 /nfs/dbraw/zinc/99/22/45/716992245.db2.gz IICQSPFVYUBOPE-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850589 716992250 /nfs/dbraw/zinc/99/22/50/716992250.db2.gz IICQSPFVYUBOPE-HUUCEWRRSA-N 2 2 314.433 1.295 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063116 717459178 /nfs/dbraw/zinc/45/91/78/717459178.db2.gz CNWKLNQMCPCEJM-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063116 717459181 /nfs/dbraw/zinc/45/91/81/717459181.db2.gz CNWKLNQMCPCEJM-GDBMZVCRSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943947944 718229825 /nfs/dbraw/zinc/22/98/25/718229825.db2.gz HRSCSKUKACXMFE-GOEBONIOSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943947944 718229826 /nfs/dbraw/zinc/22/98/26/718229826.db2.gz HRSCSKUKACXMFE-GOEBONIOSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977923 720584119 /nfs/dbraw/zinc/58/41/19/720584119.db2.gz BPTPTSLESLKKDG-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047689 720611193 /nfs/dbraw/zinc/61/11/93/720611193.db2.gz PPJSGXOMQICITP-ZDUSSCGKSA-N 2 2 311.857 1.804 20 30 DDEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970680627 720884606 /nfs/dbraw/zinc/88/46/06/720884606.db2.gz ARLCAEAFTPGRNV-HNNXBMFYSA-N 2 2 322.412 1.946 20 30 DDEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000951551441 721069359 /nfs/dbraw/zinc/06/93/59/721069359.db2.gz WQZCXYDUIZFEJB-OAHLLOKOSA-N 2 2 316.449 1.863 20 30 DDEDLP N#Cc1ccc(F)c(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001167355660 733282299 /nfs/dbraw/zinc/28/22/99/733282299.db2.gz UXHGVGJIPVTCSJ-UHFFFAOYSA-N 2 2 315.352 1.259 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001023124823 735051116 /nfs/dbraw/zinc/05/11/16/735051116.db2.gz KTZVVDYBNAIDRR-GASCZTMLSA-N 2 2 319.474 1.919 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001023124823 735051118 /nfs/dbraw/zinc/05/11/18/735051118.db2.gz KTZVVDYBNAIDRR-GASCZTMLSA-N 2 2 319.474 1.919 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977186 738897103 /nfs/dbraw/zinc/89/71/03/738897103.db2.gz OEONHALZNYVRKM-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977186 738897104 /nfs/dbraw/zinc/89/71/04/738897104.db2.gz OEONHALZNYVRKM-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447586 735236258 /nfs/dbraw/zinc/23/62/58/735236258.db2.gz QHJUJSVEDQPDOL-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447586 735236261 /nfs/dbraw/zinc/23/62/61/735236261.db2.gz QHJUJSVEDQPDOL-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448964 735241264 /nfs/dbraw/zinc/24/12/64/735241264.db2.gz CQHKYOFDYKSHCU-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023448964 735241268 /nfs/dbraw/zinc/24/12/68/735241268.db2.gz CQHKYOFDYKSHCU-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449080 735241637 /nfs/dbraw/zinc/24/16/37/735241637.db2.gz GVFINHWXEQHONX-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023449080 735241641 /nfs/dbraw/zinc/24/16/41/735241641.db2.gz GVFINHWXEQHONX-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516343 735894437 /nfs/dbraw/zinc/89/44/37/735894437.db2.gz IKIBLJOCNBPNBX-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516343 735894441 /nfs/dbraw/zinc/89/44/41/735894441.db2.gz IKIBLJOCNBPNBX-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027983708 738907885 /nfs/dbraw/zinc/90/78/85/738907885.db2.gz CHBKXBMXWPYKMK-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027983708 738907890 /nfs/dbraw/zinc/90/78/90/738907890.db2.gz CHBKXBMXWPYKMK-CYBMUJFWSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024764373 736075370 /nfs/dbraw/zinc/07/53/70/736075370.db2.gz QAHWSYDVJHTMSY-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024764373 736075374 /nfs/dbraw/zinc/07/53/74/736075374.db2.gz QAHWSYDVJHTMSY-AWEZNQCLSA-N 2 2 300.406 1.365 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001026587467 737679264 /nfs/dbraw/zinc/67/92/64/737679264.db2.gz GFVUNFKKNRJRCY-UHFFFAOYSA-N 2 2 323.400 1.531 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752104 742285607 /nfs/dbraw/zinc/28/56/07/742285607.db2.gz VOQDRZCBRFMRRM-KGLIPLIRSA-N 2 2 302.422 1.527 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752104 742285611 /nfs/dbraw/zinc/28/56/11/742285611.db2.gz VOQDRZCBRFMRRM-KGLIPLIRSA-N 2 2 302.422 1.527 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001101044791 742347413 /nfs/dbraw/zinc/34/74/13/742347413.db2.gz OYGGVJQJNMDLKW-BDVYOWHSSA-N 2 2 314.433 1.192 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131395 739075554 /nfs/dbraw/zinc/07/55/54/739075554.db2.gz IVJODIVTYJRANS-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131395 739075556 /nfs/dbraw/zinc/07/55/56/739075556.db2.gz IVJODIVTYJRANS-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942613 739814925 /nfs/dbraw/zinc/81/49/25/739814925.db2.gz ZCADGYVNCGEFBQ-UHFFFAOYSA-N 2 2 324.856 1.981 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1CC ZINC001037863664 751515369 /nfs/dbraw/zinc/51/53/69/751515369.db2.gz POJYYRHFVKWLKM-ZBFHGGJFSA-N 2 2 315.417 1.483 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950450 740878916 /nfs/dbraw/zinc/87/89/16/740878916.db2.gz SVGOYAKCFAWVKG-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950450 740878921 /nfs/dbraw/zinc/87/89/21/740878921.db2.gz SVGOYAKCFAWVKG-CABCVRRESA-N 2 2 302.422 1.699 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001088420332 741480563 /nfs/dbraw/zinc/48/05/63/741480563.db2.gz NJVYWCLBFZZEGU-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203162617 741994489 /nfs/dbraw/zinc/99/44/89/741994489.db2.gz ZAJOJBBLTPFYFW-HZPDHXFCSA-N 2 2 322.412 1.988 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674851 742070614 /nfs/dbraw/zinc/07/06/14/742070614.db2.gz ZWPXZBHHZIQGNN-YCPHGPKFSA-N 2 2 302.422 1.601 20 30 DDEDLP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566383 742122948 /nfs/dbraw/zinc/12/29/48/742122948.db2.gz JXXVVNOAFWGBLG-INIZCTEOSA-N 2 2 314.433 1.726 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000992085570 744590587 /nfs/dbraw/zinc/59/05/87/744590587.db2.gz PBZAAJWFYJPLDR-YCPHGPKFSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000992085570 744590590 /nfs/dbraw/zinc/59/05/90/744590590.db2.gz PBZAAJWFYJPLDR-YCPHGPKFSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992085570 744590594 /nfs/dbraw/zinc/59/05/94/744590594.db2.gz PBZAAJWFYJPLDR-YCPHGPKFSA-N 2 2 311.857 1.946 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992085570 744590598 /nfs/dbraw/zinc/59/05/98/744590598.db2.gz PBZAAJWFYJPLDR-YCPHGPKFSA-N 2 2 311.857 1.946 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992423540 744869388 /nfs/dbraw/zinc/86/93/88/744869388.db2.gz FODUVPYCEBOKNR-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992423540 744869390 /nfs/dbraw/zinc/86/93/90/744869390.db2.gz FODUVPYCEBOKNR-RDJZCZTQSA-N 2 2 300.406 1.099 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342960 745616065 /nfs/dbraw/zinc/61/60/65/745616065.db2.gz KJEZDKWZJLLRMD-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342960 745616087 /nfs/dbraw/zinc/61/60/87/745616087.db2.gz KJEZDKWZJLLRMD-VHDGCEQUSA-N 2 2 314.433 1.140 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710432 745948169 /nfs/dbraw/zinc/94/81/69/745948169.db2.gz JTWXACXRIFYTOB-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001031437308 746801663 /nfs/dbraw/zinc/80/16/63/746801663.db2.gz YMNNVKXLRCVSCV-UHFFFAOYSA-N 2 2 311.429 1.332 20 30 DDEDLP C=CCOCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196690320 746947580 /nfs/dbraw/zinc/94/75/80/746947580.db2.gz SXMVLWUSCSQVDF-UHFFFAOYSA-N 2 2 306.410 1.010 20 30 DDEDLP C=CCOCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196690320 746947584 /nfs/dbraw/zinc/94/75/84/746947584.db2.gz SXMVLWUSCSQVDF-UHFFFAOYSA-N 2 2 306.410 1.010 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001003194440 747055961 /nfs/dbraw/zinc/05/59/61/747055961.db2.gz TYYMBBVYSGDTLV-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082902 748218684 /nfs/dbraw/zinc/21/86/84/748218684.db2.gz VRNZVLAPXHWVIS-CABCVRRESA-N 2 2 311.857 1.613 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082902 748218691 /nfs/dbraw/zinc/21/86/91/748218691.db2.gz VRNZVLAPXHWVIS-CABCVRRESA-N 2 2 311.857 1.613 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201720926 748584056 /nfs/dbraw/zinc/58/40/56/748584056.db2.gz WVMRXFPXHIBUQR-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001007709380 752288055 /nfs/dbraw/zinc/28/80/55/752288055.db2.gz YUZDFHZJKWNFKK-HUUCEWRRSA-N 2 2 302.422 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ZMBSIASNUULZDJ-SJLPKXTDSA-N 2 2 314.433 1.645 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911168 750953034 /nfs/dbraw/zinc/95/30/34/750953034.db2.gz IGSDOWKQCWEZTO-HZMVEIRTSA-N 2 2 312.417 1.075 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911168 750953037 /nfs/dbraw/zinc/95/30/37/750953037.db2.gz IGSDOWKQCWEZTO-HZMVEIRTSA-N 2 2 312.417 1.075 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538882 752982367 /nfs/dbraw/zinc/98/23/67/752982367.db2.gz ZYASEZYAQPZLMP-LSDHHAIUSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032735837 753400216 /nfs/dbraw/zinc/40/02/16/753400216.db2.gz HCUINMNEAPAOQI-KBPBESRZSA-N 2 2 300.406 1.622 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032735837 753400218 /nfs/dbraw/zinc/40/02/18/753400218.db2.gz HCUINMNEAPAOQI-KBPBESRZSA-N 2 2 300.406 1.622 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005981617 753454254 /nfs/dbraw/zinc/45/42/54/753454254.db2.gz WIIJNPMCACMVFB-AWEZNQCLSA-N 2 2 300.406 1.386 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016593 756074301 /nfs/dbraw/zinc/07/43/01/756074301.db2.gz YJQAQSGNDHEGKW-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001015016593 756074307 /nfs/dbraw/zinc/07/43/07/756074307.db2.gz YJQAQSGNDHEGKW-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016593 756074315 /nfs/dbraw/zinc/07/43/15/756074315.db2.gz YJQAQSGNDHEGKW-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001015016593 756074322 /nfs/dbraw/zinc/07/43/22/756074322.db2.gz YJQAQSGNDHEGKW-ZIAGYGMSSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940806 756665669 /nfs/dbraw/zinc/66/56/69/756665669.db2.gz TUBXWKWKFGKGHE-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001015940806 756665672 /nfs/dbraw/zinc/66/56/72/756665672.db2.gz TUBXWKWKFGKGHE-AWEZNQCLSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001097248817 757031498 /nfs/dbraw/zinc/03/14/98/757031498.db2.gz IENHCPCKLNNWHV-BDXSIMOUSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001097248817 757031505 /nfs/dbraw/zinc/03/15/05/757031505.db2.gz IENHCPCKLNNWHV-BDXSIMOUSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001097248817 757031515 /nfs/dbraw/zinc/03/15/15/757031515.db2.gz IENHCPCKLNNWHV-BDXSIMOUSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001097248817 757031522 /nfs/dbraw/zinc/03/15/22/757031522.db2.gz IENHCPCKLNNWHV-BDXSIMOUSA-N 2 2 317.477 1.852 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336377 757096288 /nfs/dbraw/zinc/09/62/88/757096288.db2.gz GKBWNVDCFVRXMC-UNEWFSDZSA-N 2 2 308.385 1.921 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336377 757096300 /nfs/dbraw/zinc/09/63/00/757096300.db2.gz GKBWNVDCFVRXMC-UNEWFSDZSA-N 2 2 308.385 1.921 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373467 757118824 /nfs/dbraw/zinc/11/88/24/757118824.db2.gz ORKITHVEPPXPLR-ABFRBSLYSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373467 757118825 /nfs/dbraw/zinc/11/88/25/757118825.db2.gz ORKITHVEPPXPLR-ABFRBSLYSA-N 2 2 312.417 1.190 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700116 757660444 /nfs/dbraw/zinc/66/04/44/757660444.db2.gz IZCACONKGNXOCY-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700116 757660451 /nfs/dbraw/zinc/66/04/51/757660451.db2.gz IZCACONKGNXOCY-UONOGXRCSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001017601112 758068767 /nfs/dbraw/zinc/06/87/67/758068767.db2.gz YZDZTGOIFMICNT-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001017601112 758068769 /nfs/dbraw/zinc/06/87/69/758068769.db2.gz YZDZTGOIFMICNT-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601112 758068783 /nfs/dbraw/zinc/06/87/83/758068783.db2.gz YZDZTGOIFMICNT-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601112 758068792 /nfs/dbraw/zinc/06/87/92/758068792.db2.gz YZDZTGOIFMICNT-BBWFWOEESA-N 2 2 303.450 1.559 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233429 759322776 /nfs/dbraw/zinc/32/27/76/759322776.db2.gz LAARGEQNGDMZHF-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054233429 759322782 /nfs/dbraw/zinc/32/27/82/759322782.db2.gz LAARGEQNGDMZHF-GOSISDBHSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281657 759388692 /nfs/dbraw/zinc/38/86/92/759388692.db2.gz VAHRAYWMJKCKAL-KSSFIOAISA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281657 759388705 /nfs/dbraw/zinc/38/87/05/759388705.db2.gz VAHRAYWMJKCKAL-KSSFIOAISA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281657 759388715 /nfs/dbraw/zinc/38/87/15/759388715.db2.gz VAHRAYWMJKCKAL-KSSFIOAISA-N 2 2 311.429 1.449 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281657 759388726 /nfs/dbraw/zinc/38/87/26/759388726.db2.gz VAHRAYWMJKCKAL-KSSFIOAISA-N 2 2 311.429 1.449 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC001019213034 759685868 /nfs/dbraw/zinc/68/58/68/759685868.db2.gz ZRXNSHDCCLPAIK-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676418 759977442 /nfs/dbraw/zinc/97/74/42/759977442.db2.gz OWJJGEJIKGTCLO-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676418 759977446 /nfs/dbraw/zinc/97/74/46/759977446.db2.gz OWJJGEJIKGTCLO-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680955 759994952 /nfs/dbraw/zinc/99/49/52/759994952.db2.gz QBHDKKRCNZXURS-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680955 759994954 /nfs/dbraw/zinc/99/49/54/759994954.db2.gz QBHDKKRCNZXURS-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684789 760009601 /nfs/dbraw/zinc/00/96/01/760009601.db2.gz BPBFPGOVXPDVFA-AWEZNQCLSA-N 2 2 320.437 1.849 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684789 760009610 /nfs/dbraw/zinc/00/96/10/760009610.db2.gz BPBFPGOVXPDVFA-AWEZNQCLSA-N 2 2 320.437 1.849 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086252055 761248918 /nfs/dbraw/zinc/24/89/18/761248918.db2.gz XPLFLCNIHNDULO-OKILXGFUSA-N 2 2 311.389 1.551 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001039042334 761681891 /nfs/dbraw/zinc/68/18/91/761681891.db2.gz PZFRQVXWVVULRQ-YFUKIHRRSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001039042334 761681894 /nfs/dbraw/zinc/68/18/94/761681894.db2.gz PZFRQVXWVVULRQ-YFUKIHRRSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211756 761844906 /nfs/dbraw/zinc/84/49/06/761844906.db2.gz UYQLQRAPVIMJMO-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211756 761844916 /nfs/dbraw/zinc/84/49/16/761844916.db2.gz UYQLQRAPVIMJMO-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211756 761844920 /nfs/dbraw/zinc/84/49/20/761844920.db2.gz UYQLQRAPVIMJMO-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211756 761844928 /nfs/dbraw/zinc/84/49/28/761844928.db2.gz UYQLQRAPVIMJMO-NVXWUHKLSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001001563566 762963517 /nfs/dbraw/zinc/96/35/17/762963517.db2.gz QPBKJWNHGAGHTM-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223264 763481728 /nfs/dbraw/zinc/48/17/28/763481728.db2.gz SBONQGZJLRSCNO-ILXRZTDVSA-N 2 2 318.421 1.266 20 30 DDEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223264 763481733 /nfs/dbraw/zinc/48/17/33/763481733.db2.gz SBONQGZJLRSCNO-ILXRZTDVSA-N 2 2 318.421 1.266 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042035867 763581642 /nfs/dbraw/zinc/58/16/42/763581642.db2.gz RYGGOJRNHOQZKV-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001042035867 763581649 /nfs/dbraw/zinc/58/16/49/763581649.db2.gz RYGGOJRNHOQZKV-CABCVRRESA-N 2 2 302.422 1.841 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089711 763638486 /nfs/dbraw/zinc/63/84/86/763638486.db2.gz GDCGTVNSQVQRFJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001042089711 763638488 /nfs/dbraw/zinc/63/84/88/763638488.db2.gz GDCGTVNSQVQRFJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089711 763638491 /nfs/dbraw/zinc/63/84/91/763638491.db2.gz GDCGTVNSQVQRFJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001042089711 763638494 /nfs/dbraw/zinc/63/84/94/763638494.db2.gz GDCGTVNSQVQRFJ-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001112977133 765077883 /nfs/dbraw/zinc/07/78/83/765077883.db2.gz OHLLUNCOZDEJQZ-SJORKVTESA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001112977133 765077894 /nfs/dbraw/zinc/07/78/94/765077894.db2.gz OHLLUNCOZDEJQZ-SJORKVTESA-N 2 2 303.450 1.583 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461027 765850861 /nfs/dbraw/zinc/85/08/61/765850861.db2.gz KOUOAOVUVBQSMT-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052461027 765850870 /nfs/dbraw/zinc/85/08/70/765850870.db2.gz KOUOAOVUVBQSMT-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461027 765850875 /nfs/dbraw/zinc/85/08/75/765850875.db2.gz KOUOAOVUVBQSMT-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052461027 765850883 /nfs/dbraw/zinc/85/08/83/765850883.db2.gz KOUOAOVUVBQSMT-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503626 765894773 /nfs/dbraw/zinc/89/47/73/765894773.db2.gz WLDLUZLEXJLLOM-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001052503626 765894776 /nfs/dbraw/zinc/89/47/76/765894776.db2.gz WLDLUZLEXJLLOM-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504901 765895820 /nfs/dbraw/zinc/89/58/20/765895820.db2.gz JYRSWACLHKHNIK-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001052504901 765895824 /nfs/dbraw/zinc/89/58/24/765895824.db2.gz JYRSWACLHKHNIK-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433813 767558906 /nfs/dbraw/zinc/55/89/06/767558906.db2.gz IALJSADEVIXRMF-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433813 767558909 /nfs/dbraw/zinc/55/89/09/767558909.db2.gz IALJSADEVIXRMF-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433813 767558914 /nfs/dbraw/zinc/55/89/14/767558914.db2.gz IALJSADEVIXRMF-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433813 767558918 /nfs/dbraw/zinc/55/89/18/767558918.db2.gz IALJSADEVIXRMF-RDTXWAMCSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195173 768665821 /nfs/dbraw/zinc/66/58/21/768665821.db2.gz KYELKKYHXHXAHA-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195173 768665823 /nfs/dbraw/zinc/66/58/23/768665823.db2.gz KYELKKYHXHXAHA-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132456770 768872853 /nfs/dbraw/zinc/87/28/53/768872853.db2.gz HWNUVGUPPAPZBC-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132456770 768872865 /nfs/dbraw/zinc/87/28/65/768872865.db2.gz HWNUVGUPPAPZBC-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546940 768963186 /nfs/dbraw/zinc/96/31/86/768963186.db2.gz UTHNVMGWVNPESK-JKSUJKDBSA-N 2 2 302.422 1.656 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546940 768963190 /nfs/dbraw/zinc/96/31/90/768963190.db2.gz UTHNVMGWVNPESK-JKSUJKDBSA-N 2 2 302.422 1.656 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133134512 769518924 /nfs/dbraw/zinc/51/89/24/769518924.db2.gz FATGXZJOPRUMKH-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135583 769520471 /nfs/dbraw/zinc/52/04/71/769520471.db2.gz UIAYOHBCZYPGIQ-WCQYABFASA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133195001 769578746 /nfs/dbraw/zinc/57/87/46/769578746.db2.gz NUHRFXRUQIOXSM-AAEUAGOBSA-N 2 2 310.829 1.779 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676749 769849460 /nfs/dbraw/zinc/84/94/60/769849460.db2.gz OCYGFMJJTLSDPC-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[C@H]1C ZINC001071676749 769849464 /nfs/dbraw/zinc/84/94/64/769849464.db2.gz OCYGFMJJTLSDPC-HUUCEWRRSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048888265 770055443 /nfs/dbraw/zinc/05/54/43/770055443.db2.gz MLCUVTLLWLVPTA-IYBDPMFKSA-N 2 2 313.401 1.046 20 30 DDEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001048888265 770055455 /nfs/dbraw/zinc/05/54/55/770055455.db2.gz MLCUVTLLWLVPTA-IYBDPMFKSA-N 2 2 313.401 1.046 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049195779 770529822 /nfs/dbraw/zinc/52/98/22/770529822.db2.gz NDGPMGBQJUMEBP-OKILXGFUSA-N 2 2 322.840 1.495 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049195779 770529827 /nfs/dbraw/zinc/52/98/27/770529827.db2.gz NDGPMGBQJUMEBP-OKILXGFUSA-N 2 2 322.840 1.495 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC ZINC001049529641 770984977 /nfs/dbraw/zinc/98/49/77/770984977.db2.gz POWJVHMKJGRKQH-ZACQAIPSSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049529641 770984986 /nfs/dbraw/zinc/98/49/86/770984986.db2.gz POWJVHMKJGRKQH-ZACQAIPSSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC ZINC001049529641 770984990 /nfs/dbraw/zinc/98/49/90/770984990.db2.gz POWJVHMKJGRKQH-ZACQAIPSSA-N 2 2 303.450 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC ZINC001049529641 770984997 /nfs/dbraw/zinc/98/49/97/770984997.db2.gz POWJVHMKJGRKQH-ZACQAIPSSA-N 2 2 303.450 1.559 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146459001 772876991 /nfs/dbraw/zinc/87/69/91/772876991.db2.gz WMTNGQKCJVHGBM-UHFFFAOYSA-N 2 2 304.781 1.944 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920523 773720726 /nfs/dbraw/zinc/72/07/26/773720726.db2.gz RYDGYAVZPLOVGX-OAHLLOKOSA-N 2 2 314.433 1.679 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001149557937 773781452 /nfs/dbraw/zinc/78/14/52/773781452.db2.gz DIKOGOHBCQLAEF-UHFFFAOYSA-N 2 2 317.418 1.192 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001074895685 774226632 /nfs/dbraw/zinc/22/66/32/774226632.db2.gz HGCQRTQGGVHXPA-DGAVXFQQSA-N 2 2 322.840 1.855 20 30 DDEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595994 776361851 /nfs/dbraw/zinc/36/18/51/776361851.db2.gz IMLKLZVCSSELTC-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171604756 776367984 /nfs/dbraw/zinc/36/79/84/776367984.db2.gz KMSURDPMSBFRAX-HUUCEWRRSA-N 2 2 302.422 1.343 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175646022 777855517 /nfs/dbraw/zinc/85/55/17/777855517.db2.gz XVGUZTKRAHEYAG-HUUCEWRRSA-N 2 2 304.438 1.876 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175646022 777855528 /nfs/dbraw/zinc/85/55/28/777855528.db2.gz XVGUZTKRAHEYAG-HUUCEWRRSA-N 2 2 304.438 1.876 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613522 778239932 /nfs/dbraw/zinc/23/99/32/778239932.db2.gz HVSQLYKNWJIEJF-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613522 778239938 /nfs/dbraw/zinc/23/99/38/778239938.db2.gz HVSQLYKNWJIEJF-HZPDHXFCSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378727 778556760 /nfs/dbraw/zinc/55/67/60/778556760.db2.gz KKRKNYPTQOOGFS-UHFFFAOYSA-N 2 2 316.449 1.905 20 30 DDEDLP C=CCOCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346695 778992254 /nfs/dbraw/zinc/99/22/54/778992254.db2.gz WEHUCIYZDPZPNG-UHFFFAOYSA-N 2 2 322.453 1.811 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001179019588 779248133 /nfs/dbraw/zinc/24/81/33/779248133.db2.gz XZQUHIJULAPFBG-XHSDSOJGSA-N 2 2 316.449 1.991 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001267179208 837479405 /nfs/dbraw/zinc/47/94/05/837479405.db2.gz NKTHJWXYQZCLGA-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001267179208 837479410 /nfs/dbraw/zinc/47/94/10/837479410.db2.gz NKTHJWXYQZCLGA-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204842 837530789 /nfs/dbraw/zinc/53/07/89/837530789.db2.gz NJXUOEFCMGFMSW-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204842 837530790 /nfs/dbraw/zinc/53/07/90/837530790.db2.gz NJXUOEFCMGFMSW-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267584798 838367697 /nfs/dbraw/zinc/36/76/97/838367697.db2.gz IQRFRXXREVSDMI-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267584798 838367700 /nfs/dbraw/zinc/36/77/00/838367700.db2.gz IQRFRXXREVSDMI-MRXNPFEDSA-N 2 2 316.449 1.730 20 30 DDEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268025698 839422911 /nfs/dbraw/zinc/42/29/11/839422911.db2.gz KGSSMLYWNXGUTQ-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268025698 839422917 /nfs/dbraw/zinc/42/29/17/839422917.db2.gz KGSSMLYWNXGUTQ-IAGOWNOFSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001268769154 840774423 /nfs/dbraw/zinc/77/44/23/840774423.db2.gz BYXLDZAGSCWDDZ-DOTOQJQBSA-N 2 2 316.449 1.641 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001269677410 841926272 /nfs/dbraw/zinc/92/62/72/841926272.db2.gz RILCQVOURDQBHM-YJBOKZPZSA-N 2 2 316.449 1.641 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001326386823 861321625 /nfs/dbraw/zinc/32/16/25/861321625.db2.gz LBARMZNSDHKBIN-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001326386823 861321641 /nfs/dbraw/zinc/32/16/41/861321641.db2.gz LBARMZNSDHKBIN-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001270436645 842574810 /nfs/dbraw/zinc/57/48/10/842574810.db2.gz PZCBMXNSOYHILP-LSDHHAIUSA-N 2 2 304.438 1.754 20 30 DDEDLP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271551894 843691605 /nfs/dbraw/zinc/69/16/05/843691605.db2.gz RRVGSYZPLATFDP-GJZGRUSLSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001271619099 843732604 /nfs/dbraw/zinc/73/26/04/843732604.db2.gz SBBFLKVOYCYCFD-CJNGLKHVSA-N 2 2 310.401 1.574 20 30 DDEDLP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001271752314 843840570 /nfs/dbraw/zinc/84/05/70/843840570.db2.gz QEKGWXDDZNDSQJ-ZBFHGGJFSA-N 2 2 302.422 1.203 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001326723070 861570861 /nfs/dbraw/zinc/57/08/61/861570861.db2.gz LRFCHIFDQYRDCP-NVXWUHKLSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001272288449 846004048 /nfs/dbraw/zinc/00/40/48/846004048.db2.gz CGCRAVUUTINMCN-HUUCEWRRSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001272288450 846004385 /nfs/dbraw/zinc/00/43/85/846004385.db2.gz CGCRAVUUTINMCN-LSDHHAIUSA-N 2 2 302.422 1.251 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001272885450 847586417 /nfs/dbraw/zinc/58/64/17/847586417.db2.gz MMJUTQYJMMIWIQ-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001272885450 847586422 /nfs/dbraw/zinc/58/64/22/847586422.db2.gz MMJUTQYJMMIWIQ-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001272885450 847586426 /nfs/dbraw/zinc/58/64/26/847586426.db2.gz MMJUTQYJMMIWIQ-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001272885450 847586432 /nfs/dbraw/zinc/58/64/32/847586432.db2.gz MMJUTQYJMMIWIQ-HZPDHXFCSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034219743 848128044 /nfs/dbraw/zinc/12/80/44/848128044.db2.gz RLTZKLFAPQSKKC-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034219743 848128050 /nfs/dbraw/zinc/12/80/50/848128050.db2.gz RLTZKLFAPQSKKC-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279433 848240342 /nfs/dbraw/zinc/24/03/42/848240342.db2.gz RZMXPLSJHZZDAV-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279433 848240350 /nfs/dbraw/zinc/24/03/50/848240350.db2.gz RZMXPLSJHZZDAV-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279419 848240512 /nfs/dbraw/zinc/24/05/12/848240512.db2.gz RRMVAJZZPGAQEM-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279419 848240520 /nfs/dbraw/zinc/24/05/20/848240520.db2.gz RRMVAJZZPGAQEM-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279780 848242290 /nfs/dbraw/zinc/24/22/90/848242290.db2.gz XBDOXJHPPPRSEA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279780 848242294 /nfs/dbraw/zinc/24/22/94/848242294.db2.gz XBDOXJHPPPRSEA-CVEARBPZSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001274003311 851831795 /nfs/dbraw/zinc/83/17/95/851831795.db2.gz ZRLNJLJGVQLJIY-UHFFFAOYSA-N 2 2 306.410 1.173 20 30 DDEDLP N#CCCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274042154 851883249 /nfs/dbraw/zinc/88/32/49/851883249.db2.gz BZJWDHNCBABCOG-KRWDZBQOSA-N 2 2 315.421 1.501 20 30 DDEDLP N#CCCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274042154 851883251 /nfs/dbraw/zinc/88/32/51/851883251.db2.gz BZJWDHNCBABCOG-KRWDZBQOSA-N 2 2 315.421 1.501 20 30 DDEDLP C=C(C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001274048053 851886945 /nfs/dbraw/zinc/88/69/45/851886945.db2.gz IAKADWGWBIYLLB-DWTRPJMMSA-N 2 2 317.437 1.628 20 30 DDEDLP C=C(C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274048053 851886952 /nfs/dbraw/zinc/88/69/52/851886952.db2.gz IAKADWGWBIYLLB-DWTRPJMMSA-N 2 2 317.437 1.628 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001274652752 852486593 /nfs/dbraw/zinc/48/65/93/852486593.db2.gz GDADCNUGNWWUBK-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001274652752 852486601 /nfs/dbraw/zinc/48/66/01/852486601.db2.gz GDADCNUGNWWUBK-GJZGRUSLSA-N 2 2 302.422 1.345 20 30 DDEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413095367 856412082 /nfs/dbraw/zinc/41/20/82/856412082.db2.gz ZAOACTPZCRTCKW-INIZCTEOSA-N 2 2 304.438 1.743 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732586 863181706 /nfs/dbraw/zinc/18/17/06/863181706.db2.gz IRDNPKUHHFPYLI-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732586 863181713 /nfs/dbraw/zinc/18/17/13/863181713.db2.gz IRDNPKUHHFPYLI-HZPDHXFCSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330358865 864271405 /nfs/dbraw/zinc/27/14/05/864271405.db2.gz DXBMDVLKIWDCKN-QCEMKRCNSA-N 2 2 316.449 1.909 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001330358865 864271423 /nfs/dbraw/zinc/27/14/23/864271423.db2.gz DXBMDVLKIWDCKN-QCEMKRCNSA-N 2 2 316.449 1.909 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001331490106 865113883 /nfs/dbraw/zinc/11/38/83/865113883.db2.gz ONNNLKPRDGAPFS-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP Cc1nc(Cl)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160514851 865899941 /nfs/dbraw/zinc/89/99/41/865899941.db2.gz YXTDPOUDLPVKOX-AWEZNQCLSA-N 2 2 306.801 1.145 20 30 DDEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001333083184 866405877 /nfs/dbraw/zinc/40/58/77/866405877.db2.gz UGWIBKNWWWJLMM-GPANFISMSA-N 2 2 302.422 1.683 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214521 866447042 /nfs/dbraw/zinc/44/70/42/866447042.db2.gz AYNCXVNJCLAMPG-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001323307468 866516671 /nfs/dbraw/zinc/51/66/71/866516671.db2.gz BITVNJCXYVODOB-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001323307468 866516692 /nfs/dbraw/zinc/51/66/92/866516692.db2.gz BITVNJCXYVODOB-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315612 866520833 /nfs/dbraw/zinc/52/08/33/866520833.db2.gz QQNJQGNZPAHRLM-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[NH+]1CCC(C)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001324875884 867596754 /nfs/dbraw/zinc/59/67/54/867596754.db2.gz CHBHIWIOOQLGBP-UHFFFAOYSA-N 2 2 310.401 1.799 20 30 DDEDLP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945079 867648783 /nfs/dbraw/zinc/64/87/83/867648783.db2.gz WATBBTGHPSAOPG-QAPCUYQASA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324945079 867648792 /nfs/dbraw/zinc/64/87/92/867648792.db2.gz WATBBTGHPSAOPG-QAPCUYQASA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322192207 868036527 /nfs/dbraw/zinc/03/65/27/868036527.db2.gz FOHWGHOPCQKNAI-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322192207 868036541 /nfs/dbraw/zinc/03/65/41/868036541.db2.gz FOHWGHOPCQKNAI-HUUCEWRRSA-N 2 2 320.437 1.085 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040038 870151120 /nfs/dbraw/zinc/15/11/20/870151120.db2.gz VMYWDBUSYWJZEZ-INIZCTEOSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317040038 870151123 /nfs/dbraw/zinc/15/11/23/870151123.db2.gz VMYWDBUSYWJZEZ-INIZCTEOSA-N 2 2 316.449 1.546 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317112107 870273724 /nfs/dbraw/zinc/27/37/24/870273724.db2.gz XKTOGHDXYSWTBF-XHSDSOJGSA-N 2 2 302.422 1.730 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606734 870668907 /nfs/dbraw/zinc/66/89/07/870668907.db2.gz QMMFVJAOIQMZQF-LSDHHAIUSA-N 2 2 300.406 1.003 20 30 DDEDLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001204076482 870924002 /nfs/dbraw/zinc/92/40/02/870924002.db2.gz NVPPWZZIVGFGNY-UHFFFAOYSA-N 2 2 322.412 1.515 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317682428 871403423 /nfs/dbraw/zinc/40/34/23/871403423.db2.gz VIPYWKOGLQPKNE-HNNXBMFYSA-N 2 2 320.437 1.302 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205551922 871622121 /nfs/dbraw/zinc/62/21/21/871622121.db2.gz AZDXHWABHQNZIQ-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205556437 871628383 /nfs/dbraw/zinc/62/83/83/871628383.db2.gz SBFVLYUPGCTHMI-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208049645 873788415 /nfs/dbraw/zinc/78/84/15/873788415.db2.gz PHHZAXMTMCGMQR-MRXNPFEDSA-N 2 2 310.401 1.860 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209576807 874985080 /nfs/dbraw/zinc/98/50/80/874985080.db2.gz AIPVYQQIXKKXSS-ZIAGYGMSSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001210117042 875232849 /nfs/dbraw/zinc/23/28/49/875232849.db2.gz OYJBLEINQBBROB-INIZCTEOSA-N 2 2 324.428 1.789 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211189326 875706170 /nfs/dbraw/zinc/70/61/70/875706170.db2.gz YSQHFSGIKFDBOY-SJORKVTESA-N 2 2 321.465 1.254 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218545955 877556613 /nfs/dbraw/zinc/55/66/13/877556613.db2.gz PXHPWLNCDWFHMG-LBPRGKRZSA-N 2 2 315.402 1.350 20 30 DDEDLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N/C=C/C(=O)C(F)(F)F)cc1 ZINC001220345877 878940860 /nfs/dbraw/zinc/94/08/60/878940860.db2.gz RLKPQVZKEMWDKH-BRAIEQGRSA-N 2 2 301.268 1.020 20 30 DDEDLP Cn1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c2cc(C#N)ccc21 ZINC001222510714 880527608 /nfs/dbraw/zinc/52/76/08/880527608.db2.gz FKTDBCYDNZLYAA-HKUYNNGSSA-N 2 2 323.444 1.576 20 30 DDEDLP Cn1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c2cc(C#N)ccc21 ZINC001222510714 880527614 /nfs/dbraw/zinc/52/76/14/880527614.db2.gz FKTDBCYDNZLYAA-HKUYNNGSSA-N 2 2 323.444 1.576 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277883532 888190957 /nfs/dbraw/zinc/19/09/57/888190957.db2.gz JTTRYEKWFGOARX-GOEBONIOSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277883533 888191431 /nfs/dbraw/zinc/19/14/31/888191431.db2.gz JTTRYEKWFGOARX-HOCLYGCPSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001245985356 892303384 /nfs/dbraw/zinc/30/33/84/892303384.db2.gz RDNBUNWPQXFHDJ-KBPBESRZSA-N 2 2 300.443 1.742 20 30 DDEDLP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252463138 895172003 /nfs/dbraw/zinc/17/20/03/895172003.db2.gz LRSQPWNDZGHCCF-KSZLIROESA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252463138 895172009 /nfs/dbraw/zinc/17/20/09/895172009.db2.gz LRSQPWNDZGHCCF-KSZLIROESA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252463138 895172018 /nfs/dbraw/zinc/17/20/18/895172018.db2.gz LRSQPWNDZGHCCF-KSZLIROESA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252463138 895172027 /nfs/dbraw/zinc/17/20/27/895172027.db2.gz LRSQPWNDZGHCCF-KSZLIROESA-N 2 2 317.433 1.009 20 30 DDEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252464104 895175317 /nfs/dbraw/zinc/17/53/17/895175317.db2.gz UFVDHTYJWVSUQS-XYJFISCASA-N 2 2 317.433 1.009 20 30 DDEDLP C=C[C@@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253564447 895895733 /nfs/dbraw/zinc/89/57/33/895895733.db2.gz FOUNZZPHVQWAFW-MRXNPFEDSA-N 2 2 306.406 1.034 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001367475928 896867836 /nfs/dbraw/zinc/86/78/36/896867836.db2.gz BYAVTIHSXCSAKS-CYBMUJFWSA-N 2 2 312.845 1.836 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001262041401 899910300 /nfs/dbraw/zinc/91/03/00/899910300.db2.gz XUWXLIFLXYFXPM-HNNXBMFYSA-N 2 2 311.389 1.231 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001262041401 899910313 /nfs/dbraw/zinc/91/03/13/899910313.db2.gz XUWXLIFLXYFXPM-HNNXBMFYSA-N 2 2 311.389 1.231 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001264469124 901139069 /nfs/dbraw/zinc/13/90/69/901139069.db2.gz WLONXRFZMITEKA-HRCADAONSA-N 2 2 314.433 1.343 20 30 DDEDLP C#CC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001265341119 901903668 /nfs/dbraw/zinc/90/36/68/901903668.db2.gz KMTBZKFBQJSTJG-UHFFFAOYSA-N 2 2 302.422 1.299 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265437037 902013822 /nfs/dbraw/zinc/01/38/22/902013822.db2.gz UROVAMCSFMFTEF-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266223328 903144740 /nfs/dbraw/zinc/14/47/40/903144740.db2.gz OBBFGKZQPHKRRQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266223328 903144748 /nfs/dbraw/zinc/14/47/48/903144748.db2.gz OBBFGKZQPHKRRQ-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001280094140 903512475 /nfs/dbraw/zinc/51/24/75/903512475.db2.gz IDJKLQQJJGDADE-OAHLLOKOSA-N 2 2 302.422 1.388 20 30 DDEDLP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001281498647 904941430 /nfs/dbraw/zinc/94/14/30/904941430.db2.gz RFCSYVLGUHWBIK-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571463 905046178 /nfs/dbraw/zinc/04/61/78/905046178.db2.gz JMLMXOGDNBRDSZ-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001281571463 905046194 /nfs/dbraw/zinc/04/61/94/905046194.db2.gz JMLMXOGDNBRDSZ-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571463 905046211 /nfs/dbraw/zinc/04/62/11/905046211.db2.gz JMLMXOGDNBRDSZ-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001281571463 905046230 /nfs/dbraw/zinc/04/62/30/905046230.db2.gz JMLMXOGDNBRDSZ-DZGCQCFKSA-N 2 2 304.438 1.991 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001281941444 905339667 /nfs/dbraw/zinc/33/96/67/905339667.db2.gz HYMSZMLMBITJAH-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001281941444 905339684 /nfs/dbraw/zinc/33/96/84/905339684.db2.gz HYMSZMLMBITJAH-LSDHHAIUSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001316617533 905569096 /nfs/dbraw/zinc/56/90/96/905569096.db2.gz JTTMAVIQFDHQOL-GASCZTMLSA-N 2 2 304.438 1.987 20 30 DDEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001282644511 905918125 /nfs/dbraw/zinc/91/81/25/905918125.db2.gz ZYRBBGRXYXFAMW-CABCVRRESA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374034381 911694917 /nfs/dbraw/zinc/69/49/17/911694917.db2.gz BWTKLCZFYKISRE-WCQYABFASA-N 2 2 310.829 1.540 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001377046574 920179182 /nfs/dbraw/zinc/17/91/82/920179182.db2.gz IKIYTOCKHFNFJY-CHWSQXEVSA-N 2 2 310.829 1.682 20 30 DDEDLP C[C@H](C#N)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000182689225 354274845 /nfs/dbraw/zinc/27/48/45/354274845.db2.gz HYSNDFRNWWPHRF-OAHLLOKOSA-N 2 2 321.469 1.396 20 30 DDEDLP C[C@H](C#N)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182848174 354277219 /nfs/dbraw/zinc/27/72/19/354277219.db2.gz LUVLIZSJIMMUCI-JZWPEALZSA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@H](C#N)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182848174 354277220 /nfs/dbraw/zinc/27/72/20/354277220.db2.gz LUVLIZSJIMMUCI-JZWPEALZSA-N 2 2 319.453 1.098 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCC3)C2)CC1 ZINC000591389355 355305303 /nfs/dbraw/zinc/30/53/03/355305303.db2.gz XCFBSUDYAUNHQN-CQSZACIVSA-N 2 2 319.453 1.148 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCC3)C2)CC1 ZINC000591389355 355305306 /nfs/dbraw/zinc/30/53/06/355305306.db2.gz XCFBSUDYAUNHQN-CQSZACIVSA-N 2 2 319.453 1.148 20 30 DDEDLP N#Cc1cnccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000592066363 355481828 /nfs/dbraw/zinc/48/18/28/355481828.db2.gz XIPZALGDBWCJRV-UHFFFAOYSA-N 2 2 314.433 1.888 20 30 DDEDLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2C1 ZINC000594436621 356212769 /nfs/dbraw/zinc/21/27/69/356212769.db2.gz DZRGIYOPRGPBQK-OAHLLOKOSA-N 2 2 300.406 1.876 20 30 DDEDLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2C1 ZINC000594436621 356212771 /nfs/dbraw/zinc/21/27/71/356212771.db2.gz DZRGIYOPRGPBQK-OAHLLOKOSA-N 2 2 300.406 1.876 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507788 356524049 /nfs/dbraw/zinc/52/40/49/356524049.db2.gz QUIXMDSSYBNRSP-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507788 356524053 /nfs/dbraw/zinc/52/40/53/356524053.db2.gz QUIXMDSSYBNRSP-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507788 356524058 /nfs/dbraw/zinc/52/40/58/356524058.db2.gz QUIXMDSSYBNRSP-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507788 356524062 /nfs/dbraw/zinc/52/40/62/356524062.db2.gz QUIXMDSSYBNRSP-KBAYOESNSA-N 2 2 320.481 1.847 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599443575 357939240 /nfs/dbraw/zinc/93/92/40/357939240.db2.gz BTPKIGQHGGUNMC-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP CCC(C#N)(CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599443575 357939242 /nfs/dbraw/zinc/93/92/42/357939242.db2.gz BTPKIGQHGGUNMC-MRXNPFEDSA-N 2 2 320.481 1.943 20 30 DDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000599663180 358014350 /nfs/dbraw/zinc/01/43/50/358014350.db2.gz DCRRADKQTCGXNO-INIZCTEOSA-N 2 2 323.481 1.864 20 30 DDEDLP C[N@H+](CCC1(C#N)CCCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989647 359341964 /nfs/dbraw/zinc/34/19/64/359341964.db2.gz XZXHMNSXLOIKNQ-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989647 359341969 /nfs/dbraw/zinc/34/19/69/359341969.db2.gz XZXHMNSXLOIKNQ-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP C=CCOc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000629655776 422774925 /nfs/dbraw/zinc/77/49/25/422774925.db2.gz LELJSENJMBKAGW-UHFFFAOYSA-N 2 2 300.362 1.496 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271700327 209136610 /nfs/dbraw/zinc/13/66/10/209136610.db2.gz TVYCNOFCCBYNOS-HUUCEWRRSA-N 2 2 314.433 1.761 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000266906349 407668667 /nfs/dbraw/zinc/66/86/67/407668667.db2.gz HRQFUIMVRIRTFZ-UHFFFAOYSA-N 2 2 311.389 1.493 20 30 DDEDLP C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261965024 407694788 /nfs/dbraw/zinc/69/47/88/407694788.db2.gz LEVRYHZQNWJCJF-DOMZBBRYSA-N 2 2 315.425 1.573 20 30 DDEDLP CNC(NCCc1cn2cc(Br)cc(C)c2[nH+]1)=[NH+]C ZINC000273468955 408215043 /nfs/dbraw/zinc/21/50/43/408215043.db2.gz IWNMZRFJDIHANP-UHFFFAOYSA-N 2 2 324.226 1.743 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177959304 408745826 /nfs/dbraw/zinc/74/58/26/408745826.db2.gz GMGKHNRATCBRFQ-UHFFFAOYSA-N 2 2 313.405 1.784 20 30 DDEDLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706608 409959960 /nfs/dbraw/zinc/95/99/60/409959960.db2.gz PRQPXZCHCVSYHC-ZDUSSCGKSA-N 2 2 317.437 1.987 20 30 DDEDLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706608 409959969 /nfs/dbraw/zinc/95/99/69/409959969.db2.gz PRQPXZCHCVSYHC-ZDUSSCGKSA-N 2 2 317.437 1.987 20 30 DDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3(C#N)CC3)CC2)CC1 ZINC000329177702 410148789 /nfs/dbraw/zinc/14/87/89/410148789.db2.gz CIOQKCYBPYZVSK-UHFFFAOYSA-N 2 2 318.465 1.556 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000237110580 222207422 /nfs/dbraw/zinc/20/74/22/222207422.db2.gz WXLJNNRFZUUCQV-UHFFFAOYSA-N 2 2 302.418 1.899 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245716393 222218462 /nfs/dbraw/zinc/21/84/62/222218462.db2.gz UDHFERRSIVFZPH-PMPSAXMXSA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245716393 222218464 /nfs/dbraw/zinc/21/84/64/222218464.db2.gz UDHFERRSIVFZPH-PMPSAXMXSA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246539275 222223283 /nfs/dbraw/zinc/22/32/83/222223283.db2.gz KIZKZSKKGGWPRS-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246539275 222223285 /nfs/dbraw/zinc/22/32/85/222223285.db2.gz KIZKZSKKGGWPRS-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421840 418599043 /nfs/dbraw/zinc/59/90/43/418599043.db2.gz BXCLQKNIBKWEEG-OCCSQVGLSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421840 418599046 /nfs/dbraw/zinc/59/90/46/418599046.db2.gz BXCLQKNIBKWEEG-OCCSQVGLSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421840 418599050 /nfs/dbraw/zinc/59/90/50/418599050.db2.gz BXCLQKNIBKWEEG-OCCSQVGLSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000367421840 418599054 /nfs/dbraw/zinc/59/90/54/418599054.db2.gz BXCLQKNIBKWEEG-OCCSQVGLSA-N 2 2 318.446 1.974 20 30 DDEDLP CCCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264104328 222318356 /nfs/dbraw/zinc/31/83/56/222318356.db2.gz NJBOPXZNXPYQLG-CYBMUJFWSA-N 2 2 308.426 1.621 20 30 DDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529477 418721263 /nfs/dbraw/zinc/72/12/63/418721263.db2.gz BQUSOENZCPPVIC-ZBFHGGJFSA-N 2 2 306.454 1.112 20 30 DDEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000368529477 418721266 /nfs/dbraw/zinc/72/12/66/418721266.db2.gz BQUSOENZCPPVIC-ZBFHGGJFSA-N 2 2 306.454 1.112 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000376698788 418699968 /nfs/dbraw/zinc/69/99/68/418699968.db2.gz FFDJLQZSMXOUSN-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376698788 418699972 /nfs/dbraw/zinc/69/99/72/418699972.db2.gz FFDJLQZSMXOUSN-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369362155 418733472 /nfs/dbraw/zinc/73/34/72/418733472.db2.gz CZHQAWSQPDSZQX-INIZCTEOSA-N 2 2 320.481 1.763 20 30 DDEDLP C=CC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369362155 418733475 /nfs/dbraw/zinc/73/34/75/418733475.db2.gz CZHQAWSQPDSZQX-INIZCTEOSA-N 2 2 320.481 1.763 20 30 DDEDLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000362037896 418743231 /nfs/dbraw/zinc/74/32/31/418743231.db2.gz JTVUFOZXQASPAW-NXOAAHMSSA-N 2 2 309.454 1.784 20 30 DDEDLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000362037896 418743233 /nfs/dbraw/zinc/74/32/33/418743233.db2.gz JTVUFOZXQASPAW-NXOAAHMSSA-N 2 2 309.454 1.784 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318950 418752692 /nfs/dbraw/zinc/75/26/92/418752692.db2.gz MCJUKTCZCOJEMI-BRWVUGGUSA-N 2 2 312.417 1.501 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318950 418752693 /nfs/dbraw/zinc/75/26/93/418752693.db2.gz MCJUKTCZCOJEMI-BRWVUGGUSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318950 418752694 /nfs/dbraw/zinc/75/26/94/418752694.db2.gz MCJUKTCZCOJEMI-BRWVUGGUSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000362318950 418752696 /nfs/dbraw/zinc/75/26/96/418752696.db2.gz MCJUKTCZCOJEMI-BRWVUGGUSA-N 2 2 312.417 1.501 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372752681 418898313 /nfs/dbraw/zinc/89/83/13/418898313.db2.gz SQLMAWAHOAMQHN-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP CCC[NH+]1CCC([NH+]2CCN(c3cnc(C#N)cn3)CC2)CC1 ZINC000372798897 418902899 /nfs/dbraw/zinc/90/28/99/418902899.db2.gz GOAMFLASSCECOD-UHFFFAOYSA-N 2 2 314.437 1.345 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc(OC)c1O ZINC000415045250 419922332 /nfs/dbraw/zinc/92/23/32/419922332.db2.gz TXLXWYPITBKYBO-OAHLLOKOSA-N 2 2 306.406 1.597 20 30 DDEDLP COc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1C#N ZINC000442835803 420723166 /nfs/dbraw/zinc/72/31/66/420723166.db2.gz FLEYKBFNKBBKIN-UHFFFAOYSA-N 2 2 303.406 1.503 20 30 DDEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000489495457 421160269 /nfs/dbraw/zinc/16/02/69/421160269.db2.gz JHLYGCTZAMLVBU-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000489495457 421160271 /nfs/dbraw/zinc/16/02/71/421160271.db2.gz JHLYGCTZAMLVBU-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000489495457 421160273 /nfs/dbraw/zinc/16/02/73/421160273.db2.gz JHLYGCTZAMLVBU-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000489495457 421160276 /nfs/dbraw/zinc/16/02/76/421160276.db2.gz JHLYGCTZAMLVBU-SJORKVTESA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000517339524 421609393 /nfs/dbraw/zinc/60/93/93/421609393.db2.gz IWKAUDULJAHNJD-UHFFFAOYSA-N 2 2 305.426 1.613 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000570939808 421677942 /nfs/dbraw/zinc/67/79/42/421677942.db2.gz MMESKHJRHCBGSM-CQSZACIVSA-N 2 2 309.373 1.720 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000570939808 421677945 /nfs/dbraw/zinc/67/79/45/421677945.db2.gz MMESKHJRHCBGSM-CQSZACIVSA-N 2 2 309.373 1.720 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000377929624 268250194 /nfs/dbraw/zinc/25/01/94/268250194.db2.gz ARAZVMGUGPOYME-MRXNPFEDSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000377929624 268250195 /nfs/dbraw/zinc/25/01/95/268250195.db2.gz ARAZVMGUGPOYME-MRXNPFEDSA-N 2 2 323.400 1.777 20 30 DDEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000354582865 276151138 /nfs/dbraw/zinc/15/11/38/276151138.db2.gz VYHCNJIYHHDBEC-AWEZNQCLSA-N 2 2 306.454 1.791 20 30 DDEDLP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272264852 277031381 /nfs/dbraw/zinc/03/13/81/277031381.db2.gz XNPRUARMRHPFON-QGZVFWFLSA-N 2 2 312.417 1.737 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498099 298136370 /nfs/dbraw/zinc/13/63/70/298136370.db2.gz QUEGVALBGDOZAT-WBVHZDCISA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498099 298136373 /nfs/dbraw/zinc/13/63/73/298136373.db2.gz QUEGVALBGDOZAT-WBVHZDCISA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366498099 298136375 /nfs/dbraw/zinc/13/63/75/298136375.db2.gz QUEGVALBGDOZAT-WBVHZDCISA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366498099 298136377 /nfs/dbraw/zinc/13/63/77/298136377.db2.gz QUEGVALBGDOZAT-WBVHZDCISA-N 2 2 318.465 1.745 20 30 DDEDLP COC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539497537 307680915 /nfs/dbraw/zinc/68/09/15/307680915.db2.gz YKVJQGGUEJEMJO-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000457635773 526824299 /nfs/dbraw/zinc/82/42/99/526824299.db2.gz ZEWVDQVXJFRWAK-IAGOWNOFSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491039089 526949553 /nfs/dbraw/zinc/94/95/53/526949553.db2.gz MUOMJDQUWKYJKX-QWHCGFSZSA-N 2 2 317.355 1.037 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491039089 526949555 /nfs/dbraw/zinc/94/95/55/526949555.db2.gz MUOMJDQUWKYJKX-QWHCGFSZSA-N 2 2 317.355 1.037 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490867068 527021589 /nfs/dbraw/zinc/02/15/89/527021589.db2.gz YXFDAKBHBFTKPD-AEFFLSMTSA-N 2 2 324.428 1.969 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000491716334 527234445 /nfs/dbraw/zinc/23/44/45/527234445.db2.gz SZZCIDLIBARQGZ-PMRDEQMMSA-N 2 2 318.465 1.351 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000491716334 527234448 /nfs/dbraw/zinc/23/44/48/527234448.db2.gz SZZCIDLIBARQGZ-PMRDEQMMSA-N 2 2 318.465 1.351 20 30 DDEDLP C#C[C@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491734022 527330697 /nfs/dbraw/zinc/33/06/97/527330697.db2.gz BBJVFEYVMSSIBB-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP C#C[C@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491734022 527330700 /nfs/dbraw/zinc/33/07/00/527330700.db2.gz BBJVFEYVMSSIBB-HNNXBMFYSA-N 2 2 300.406 1.074 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341123691 528856297 /nfs/dbraw/zinc/85/62/97/528856297.db2.gz INTQNQRUXUNGSA-GOEBONIOSA-N 2 2 305.426 1.648 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341123691 528856299 /nfs/dbraw/zinc/85/62/99/528856299.db2.gz INTQNQRUXUNGSA-GOEBONIOSA-N 2 2 305.426 1.648 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817944 695102141 /nfs/dbraw/zinc/10/21/41/695102141.db2.gz KYKJSLCZVFJPKJ-ZIAGYGMSSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817944 695102143 /nfs/dbraw/zinc/10/21/43/695102143.db2.gz KYKJSLCZVFJPKJ-ZIAGYGMSSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817944 695102145 /nfs/dbraw/zinc/10/21/45/695102145.db2.gz KYKJSLCZVFJPKJ-ZIAGYGMSSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817944 695102146 /nfs/dbraw/zinc/10/21/46/695102146.db2.gz KYKJSLCZVFJPKJ-ZIAGYGMSSA-N 2 2 302.422 1.542 20 30 DDEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972007207 695137972 /nfs/dbraw/zinc/13/79/72/695137972.db2.gz XDKRDNPFJAEHQF-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972007207 695137973 /nfs/dbraw/zinc/13/79/73/695137973.db2.gz XDKRDNPFJAEHQF-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972007207 695137976 /nfs/dbraw/zinc/13/79/76/695137976.db2.gz XDKRDNPFJAEHQF-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972007207 695137978 /nfs/dbraw/zinc/13/79/78/695137978.db2.gz XDKRDNPFJAEHQF-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619295 695697772 /nfs/dbraw/zinc/69/77/72/695697772.db2.gz PUQOLBZLVXQDJA-HNNXBMFYSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000974619295 695697773 /nfs/dbraw/zinc/69/77/73/695697773.db2.gz PUQOLBZLVXQDJA-HNNXBMFYSA-N 2 2 314.433 1.222 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101570 695794916 /nfs/dbraw/zinc/79/49/16/695794916.db2.gz LJPAOQVUDSGLIJ-HNNXBMFYSA-N 2 2 316.449 1.856 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101570 695794918 /nfs/dbraw/zinc/79/49/18/695794918.db2.gz LJPAOQVUDSGLIJ-HNNXBMFYSA-N 2 2 316.449 1.856 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978374415 696372567 /nfs/dbraw/zinc/37/25/67/696372567.db2.gz YRDMSPRNNUALRZ-QKDCVEJESA-N 2 2 308.385 1.494 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC000978374415 696372570 /nfs/dbraw/zinc/37/25/70/696372570.db2.gz YRDMSPRNNUALRZ-QKDCVEJESA-N 2 2 308.385 1.494 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980180037 696701789 /nfs/dbraw/zinc/70/17/89/696701789.db2.gz ASAFMSOJGULVJK-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980180037 696701791 /nfs/dbraw/zinc/70/17/91/696701791.db2.gz ASAFMSOJGULVJK-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981809471 696925374 /nfs/dbraw/zinc/92/53/74/696925374.db2.gz KBPMQORBSYILBQ-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981809471 696925377 /nfs/dbraw/zinc/92/53/77/696925377.db2.gz KBPMQORBSYILBQ-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809471 696925380 /nfs/dbraw/zinc/92/53/80/696925380.db2.gz KBPMQORBSYILBQ-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981809471 696925384 /nfs/dbraw/zinc/92/53/84/696925384.db2.gz KBPMQORBSYILBQ-GOSISDBHSA-N 2 2 317.477 1.951 20 30 DDEDLP C#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981839466 696938867 /nfs/dbraw/zinc/93/88/67/696938867.db2.gz XQMJEOOLPXRUFU-UHFFFAOYSA-N 2 2 314.433 1.484 20 30 DDEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000981839466 696938870 /nfs/dbraw/zinc/93/88/70/696938870.db2.gz XQMJEOOLPXRUFU-UHFFFAOYSA-N 2 2 314.433 1.484 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103268 697005147 /nfs/dbraw/zinc/00/51/47/697005147.db2.gz UHOCOVKVTVMPSG-HUUCEWRRSA-N 2 2 316.449 1.965 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476834 697106623 /nfs/dbraw/zinc/10/66/23/697106623.db2.gz HOUNUDBIAIODHX-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476834 697106625 /nfs/dbraw/zinc/10/66/25/697106625.db2.gz HOUNUDBIAIODHX-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccco1 ZINC000195522733 697746501 /nfs/dbraw/zinc/74/65/01/697746501.db2.gz WLSZPLKFZZQFGU-KGLIPLIRSA-N 2 2 308.426 1.746 20 30 DDEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)c1ccc(F)cc1 ZINC000303894465 698609978 /nfs/dbraw/zinc/60/99/78/698609978.db2.gz OWEGNSHUPXISLK-CQSZACIVSA-N 2 2 310.442 1.792 20 30 DDEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845626502 703184230 /nfs/dbraw/zinc/18/42/30/703184230.db2.gz VZTFGENIVLCGGR-ZFWWWQNUSA-N 2 2 310.442 1.302 20 30 DDEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845626502 703184231 /nfs/dbraw/zinc/18/42/31/703184231.db2.gz VZTFGENIVLCGGR-ZFWWWQNUSA-N 2 2 310.442 1.302 20 30 DDEDLP C#CCOCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000851804508 703860445 /nfs/dbraw/zinc/86/04/45/703860445.db2.gz RGTWYPLJVCZSES-UHFFFAOYSA-N 2 2 301.434 1.670 20 30 DDEDLP C#CCOCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000851804508 703860447 /nfs/dbraw/zinc/86/04/47/703860447.db2.gz RGTWYPLJVCZSES-UHFFFAOYSA-N 2 2 301.434 1.670 20 30 DDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000852098748 703922471 /nfs/dbraw/zinc/92/24/71/703922471.db2.gz UYGPWSSPFYLNRT-KRWDZBQOSA-N 2 2 319.474 1.784 20 30 DDEDLP C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852102154 703923483 /nfs/dbraw/zinc/92/34/83/703923483.db2.gz WLEGVSVWGZCQRF-QAPCUYQASA-N 2 2 314.433 1.510 20 30 DDEDLP C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccnn1-c1cc[nH+]cc1 ZINC000853324577 704234169 /nfs/dbraw/zinc/23/41/69/704234169.db2.gz LEHCYIFKQZBYMV-HUUCEWRRSA-N 2 2 309.377 1.461 20 30 DDEDLP C#Cc1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000854263159 704373077 /nfs/dbraw/zinc/37/30/77/704373077.db2.gz XBMKLGYHPYUXLU-UHFFFAOYSA-N 2 2 302.422 1.673 20 30 DDEDLP C#Cc1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000854263159 704373080 /nfs/dbraw/zinc/37/30/80/704373080.db2.gz XBMKLGYHPYUXLU-UHFFFAOYSA-N 2 2 302.422 1.673 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000877031087 705966017 /nfs/dbraw/zinc/96/60/17/705966017.db2.gz MAOFZJDNKRYJQE-KRWDZBQOSA-N 2 2 300.406 1.686 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260922 706924093 /nfs/dbraw/zinc/92/40/93/706924093.db2.gz GWXPCEFYJHURRU-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260922 706924095 /nfs/dbraw/zinc/92/40/95/706924095.db2.gz GWXPCEFYJHURRU-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC[NH+](C)CC1 ZINC000886573505 708779175 /nfs/dbraw/zinc/77/91/75/708779175.db2.gz LFYLIGNANSPRQV-UHFFFAOYSA-N 2 2 310.401 1.812 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792521 710901657 /nfs/dbraw/zinc/90/16/57/710901657.db2.gz BHEZZJHCRBRKFT-HIFRSBDPSA-N 2 2 315.421 1.191 20 30 DDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000902792521 710901661 /nfs/dbraw/zinc/90/16/61/710901661.db2.gz BHEZZJHCRBRKFT-HIFRSBDPSA-N 2 2 315.421 1.191 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858972 711306029 /nfs/dbraw/zinc/30/60/29/711306029.db2.gz KPFHFFMHBUQZAC-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858972 711306031 /nfs/dbraw/zinc/30/60/31/711306031.db2.gz KPFHFFMHBUQZAC-UXLLHSPISA-N 2 2 301.390 1.111 20 30 DDEDLP COCC[N@H+](C)CCNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912506745 711357128 /nfs/dbraw/zinc/35/71/28/711357128.db2.gz BQNACUJWAVPRMZ-AWEZNQCLSA-N 2 2 314.474 1.077 20 30 DDEDLP COCC[N@@H+](C)CCNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912506745 711357132 /nfs/dbraw/zinc/35/71/32/711357132.db2.gz BQNACUJWAVPRMZ-AWEZNQCLSA-N 2 2 314.474 1.077 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000928653499 713252951 /nfs/dbraw/zinc/25/29/51/713252951.db2.gz OLUXZAHODUKWML-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000928653499 713252954 /nfs/dbraw/zinc/25/29/54/713252954.db2.gz OLUXZAHODUKWML-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1O ZINC000895162310 711438055 /nfs/dbraw/zinc/43/80/55/711438055.db2.gz JYCKOCXSXQZNDY-MRXNPFEDSA-N 2 2 303.406 1.621 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000923399909 714342486 /nfs/dbraw/zinc/34/24/86/714342486.db2.gz UPDBOXYKURYEPU-INMHGKMJSA-N 2 2 301.390 1.111 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000923399909 714342488 /nfs/dbraw/zinc/34/24/88/714342488.db2.gz UPDBOXYKURYEPU-INMHGKMJSA-N 2 2 301.390 1.111 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000957283968 715815390 /nfs/dbraw/zinc/81/53/90/715815390.db2.gz HKGLEOTXXBVMJI-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000957283968 715815394 /nfs/dbraw/zinc/81/53/94/715815394.db2.gz HKGLEOTXXBVMJI-KRWDZBQOSA-N 2 2 305.466 1.809 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957612550 715969106 /nfs/dbraw/zinc/96/91/06/715969106.db2.gz OMJGFZWHEGVIQN-UHFFFAOYSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957637773 715979236 /nfs/dbraw/zinc/97/92/36/715979236.db2.gz UWFJSVMTOWJAAK-UHFFFAOYSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000964208913 717198255 /nfs/dbraw/zinc/19/82/55/717198255.db2.gz XZKXEROWSVMTFK-UHFFFAOYSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962196130 717346816 /nfs/dbraw/zinc/34/68/16/717346816.db2.gz FPXSHUHXXVCZNP-FOLVSLTJSA-N 2 2 309.373 1.113 20 30 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C=CCOc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c(F)c1 ZINC001211755377 739439871 /nfs/dbraw/zinc/43/98/71/739439871.db2.gz KDZIWNGHACUDEW-AAEUAGOBSA-N 2 2 304.325 1.455 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640929 739834313 /nfs/dbraw/zinc/83/43/13/739834313.db2.gz YFURBVKDYQTJAL-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640929 739834320 /nfs/dbraw/zinc/83/43/20/739834320.db2.gz YFURBVKDYQTJAL-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640929 739834326 /nfs/dbraw/zinc/83/43/26/739834326.db2.gz YFURBVKDYQTJAL-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640929 739834333 /nfs/dbraw/zinc/83/43/33/739834333.db2.gz YFURBVKDYQTJAL-HUUCEWRRSA-N 2 2 316.449 1.837 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811728 740070523 /nfs/dbraw/zinc/07/05/23/740070523.db2.gz QGRCJQNZBQHHFU-RRFJBIMHSA-N 2 2 302.422 1.538 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028811728 740070524 /nfs/dbraw/zinc/07/05/24/740070524.db2.gz QGRCJQNZBQHHFU-RRFJBIMHSA-N 2 2 302.422 1.538 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630400 740683779 /nfs/dbraw/zinc/68/37/79/740683779.db2.gz HXPVIEOGYFWKHT-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630400 740683780 /nfs/dbraw/zinc/68/37/80/740683780.db2.gz HXPVIEOGYFWKHT-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC ZINC001037964482 751600054 /nfs/dbraw/zinc/60/00/54/751600054.db2.gz IHKDTNIXGBMPAY-GDBMZVCRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866727 741362580 /nfs/dbraw/zinc/36/25/80/741362580.db2.gz PNQSCCVTTFMWMF-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866727 741362582 /nfs/dbraw/zinc/36/25/82/741362582.db2.gz PNQSCCVTTFMWMF-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866727 741362584 /nfs/dbraw/zinc/36/25/84/741362584.db2.gz PNQSCCVTTFMWMF-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866727 741362587 /nfs/dbraw/zinc/36/25/87/741362587.db2.gz PNQSCCVTTFMWMF-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001088329642 741393542 /nfs/dbraw/zinc/39/35/42/741393542.db2.gz CTNYSGGOTULIEA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001088329642 741393545 /nfs/dbraw/zinc/39/35/45/741393545.db2.gz CTNYSGGOTULIEA-RRFJBIMHSA-N 2 2 300.406 1.507 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537137 741758576 /nfs/dbraw/zinc/75/85/76/741758576.db2.gz RQVSWZASYFIFQU-RYRKJORJSA-N 2 2 314.433 1.686 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965887 742287672 /nfs/dbraw/zinc/28/76/72/742287672.db2.gz HPYBDLUFNKEHJZ-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965887 742287676 /nfs/dbraw/zinc/28/76/76/742287676.db2.gz HPYBDLUFNKEHJZ-HRCADAONSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)C1 ZINC001105713979 743746904 /nfs/dbraw/zinc/74/69/04/743746904.db2.gz DULVTXRDJGLTBN-UHFFFAOYSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)C1 ZINC001105713979 743746910 /nfs/dbraw/zinc/74/69/10/743746910.db2.gz DULVTXRDJGLTBN-UHFFFAOYSA-N 2 2 323.481 1.595 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183581061 743862734 /nfs/dbraw/zinc/86/27/34/743862734.db2.gz DOVORPLITDMXPD-OAHLLOKOSA-N 2 2 303.406 1.789 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399077 744034022 /nfs/dbraw/zinc/03/40/22/744034022.db2.gz HKYKCYIOPUMZJN-PBHICJAKSA-N 2 2 324.428 1.964 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492230 744044706 /nfs/dbraw/zinc/04/47/06/744044706.db2.gz NONXZPHQFNNVRX-LSDHHAIUSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184533490 744055165 /nfs/dbraw/zinc/05/51/65/744055165.db2.gz FXEGTMKJJVURMJ-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184533490 744055168 /nfs/dbraw/zinc/05/51/68/744055168.db2.gz FXEGTMKJJVURMJ-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184902155 744123363 /nfs/dbraw/zinc/12/33/63/744123363.db2.gz GVSJZEJAIMYKFR-CVEARBPZSA-N 2 2 302.422 1.371 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185379325 744211540 /nfs/dbraw/zinc/21/15/40/744211540.db2.gz BXKBWLUGMGXPKN-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185503592 744238678 /nfs/dbraw/zinc/23/86/78/744238678.db2.gz RMTLRVGNZVNZGT-CABCVRRESA-N 2 2 302.422 1.060 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992170312 744656621 /nfs/dbraw/zinc/65/66/21/744656621.db2.gz USJUFUVUUNSOJA-JCKWVBRZSA-N 2 2 312.417 1.576 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC000992170312 744656623 /nfs/dbraw/zinc/65/66/23/744656623.db2.gz USJUFUVUUNSOJA-JCKWVBRZSA-N 2 2 312.417 1.576 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992445096 744878952 /nfs/dbraw/zinc/87/89/52/744878952.db2.gz JUCGVKGRCIPGLX-RDJZCZTQSA-N 2 2 300.406 1.397 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC000992445096 744878955 /nfs/dbraw/zinc/87/89/55/744878955.db2.gz JUCGVKGRCIPGLX-RDJZCZTQSA-N 2 2 300.406 1.397 20 30 DDEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001191533993 745536622 /nfs/dbraw/zinc/53/66/22/745536622.db2.gz XMMDZLHXKUVXBJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001191533993 745536625 /nfs/dbraw/zinc/53/66/25/745536625.db2.gz XMMDZLHXKUVXBJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191533993 745536627 /nfs/dbraw/zinc/53/66/27/745536627.db2.gz XMMDZLHXKUVXBJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191533993 745536630 /nfs/dbraw/zinc/53/66/30/745536630.db2.gz XMMDZLHXKUVXBJ-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993511060 746185429 /nfs/dbraw/zinc/18/54/29/746185429.db2.gz CBJLFCATZZTLKD-UKRRQHHQSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993511060 746185432 /nfs/dbraw/zinc/18/54/32/746185432.db2.gz CBJLFCATZZTLKD-UKRRQHHQSA-N 2 2 318.421 1.342 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309381 746821797 /nfs/dbraw/zinc/82/17/97/746821797.db2.gz CDLJXUJRGWBONL-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001196309381 746821804 /nfs/dbraw/zinc/82/18/04/746821804.db2.gz CDLJXUJRGWBONL-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332937 746834451 /nfs/dbraw/zinc/83/44/51/746834451.db2.gz RUFRWQLATBDNDZ-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001196332937 746834456 /nfs/dbraw/zinc/83/44/56/746834456.db2.gz RUFRWQLATBDNDZ-MRXNPFEDSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201041368 748405399 /nfs/dbraw/zinc/40/53/99/748405399.db2.gz CIQGHXGQPJECHT-OAHLLOKOSA-N 2 2 320.437 1.136 20 30 DDEDLP C[C@H]1CC[N@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004540132 748543945 /nfs/dbraw/zinc/54/39/45/748543945.db2.gz BKCNTZKAPOFGDW-DOTOQJQBSA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@H]1CC[N@@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004540132 748543947 /nfs/dbraw/zinc/54/39/47/748543947.db2.gz BKCNTZKAPOFGDW-DOTOQJQBSA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@H]1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004540132 748543949 /nfs/dbraw/zinc/54/39/49/748543949.db2.gz BKCNTZKAPOFGDW-DOTOQJQBSA-N 2 2 318.465 1.555 20 30 DDEDLP C[C@H]1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004540132 748543953 /nfs/dbraw/zinc/54/39/53/748543953.db2.gz BKCNTZKAPOFGDW-DOTOQJQBSA-N 2 2 318.465 1.555 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702774 752282993 /nfs/dbraw/zinc/28/29/93/752282993.db2.gz FGSVUKSYZVKDOA-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007702774 752282999 /nfs/dbraw/zinc/28/29/99/752282999.db2.gz FGSVUKSYZVKDOA-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857998 748613231 /nfs/dbraw/zinc/61/32/31/748613231.db2.gz ZZLYYQXFUYFLEG-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446253 748783238 /nfs/dbraw/zinc/78/32/38/748783238.db2.gz ABUSIODSFQUGIG-CQSZACIVSA-N 2 2 302.422 1.986 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386235 749889371 /nfs/dbraw/zinc/88/93/71/749889371.db2.gz KRUKARIHAYGLHK-RHSMWYFYSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386235 749889377 /nfs/dbraw/zinc/88/93/77/749889377.db2.gz KRUKARIHAYGLHK-RHSMWYFYSA-N 2 2 300.406 1.336 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373218 761993462 /nfs/dbraw/zinc/99/34/62/761993462.db2.gz RAFIJYDMPYAMSK-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373218 761993466 /nfs/dbraw/zinc/99/34/66/761993466.db2.gz RAFIJYDMPYAMSK-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001095567663 750046129 /nfs/dbraw/zinc/04/61/29/750046129.db2.gz UQQISBYEOGQAKV-FAHYXWLWSA-N 2 2 300.406 1.811 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001095567663 750046136 /nfs/dbraw/zinc/04/61/36/750046136.db2.gz UQQISBYEOGQAKV-FAHYXWLWSA-N 2 2 300.406 1.811 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001095567663 750046143 /nfs/dbraw/zinc/04/61/43/750046143.db2.gz UQQISBYEOGQAKV-FAHYXWLWSA-N 2 2 300.406 1.811 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001095567663 750046150 /nfs/dbraw/zinc/04/61/50/750046150.db2.gz UQQISBYEOGQAKV-FAHYXWLWSA-N 2 2 300.406 1.811 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880547 750046480 /nfs/dbraw/zinc/04/64/80/750046480.db2.gz LEOPUCFJJBOCRK-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880547 750046483 /nfs/dbraw/zinc/04/64/83/750046483.db2.gz LEOPUCFJJBOCRK-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655330 750306453 /nfs/dbraw/zinc/30/64/53/750306453.db2.gz XAHLDUZOEMRCMZ-NVXWUHKLSA-N 2 2 300.406 1.267 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655330 750306462 /nfs/dbraw/zinc/30/64/62/750306462.db2.gz XAHLDUZOEMRCMZ-NVXWUHKLSA-N 2 2 300.406 1.267 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000997144805 750564425 /nfs/dbraw/zinc/56/44/25/750564425.db2.gz SDYIALYIWWLRGE-UHFFFAOYSA-N 2 2 321.465 1.398 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405920 750599973 /nfs/dbraw/zinc/59/99/73/750599973.db2.gz SBABOMYDYXONOR-NJAFHUGGSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405920 750599975 /nfs/dbraw/zinc/59/99/75/750599975.db2.gz SBABOMYDYXONOR-NJAFHUGGSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405920 750599976 /nfs/dbraw/zinc/59/99/76/750599976.db2.gz SBABOMYDYXONOR-NJAFHUGGSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405920 750599978 /nfs/dbraw/zinc/59/99/78/750599978.db2.gz SBABOMYDYXONOR-NJAFHUGGSA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997297990 750757428 /nfs/dbraw/zinc/75/74/28/750757428.db2.gz NCVMADLGHYEISH-HIFRSBDPSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910953 750952034 /nfs/dbraw/zinc/95/20/34/750952034.db2.gz FMIZALYORACCII-YVSFHVDLSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089910953 750952040 /nfs/dbraw/zinc/95/20/40/750952040.db2.gz FMIZALYORACCII-YVSFHVDLSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001032489303 751037134 /nfs/dbraw/zinc/03/71/34/751037134.db2.gz LJVIMEOORXFLAI-STQMWFEESA-N 2 2 304.394 1.211 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001032489303 751037140 /nfs/dbraw/zinc/03/71/40/751037140.db2.gz LJVIMEOORXFLAI-STQMWFEESA-N 2 2 304.394 1.211 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035190853 751290610 /nfs/dbraw/zinc/29/06/10/751290610.db2.gz QDTFFDWNSFAHSB-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035190853 751290611 /nfs/dbraw/zinc/29/06/11/751290611.db2.gz QDTFFDWNSFAHSB-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035190853 751290616 /nfs/dbraw/zinc/29/06/16/751290616.db2.gz QDTFFDWNSFAHSB-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035190853 751290618 /nfs/dbraw/zinc/29/06/18/751290618.db2.gz QDTFFDWNSFAHSB-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108420971 762127640 /nfs/dbraw/zinc/12/76/40/762127640.db2.gz DRAQRZLZQVLBPK-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108420971 762127646 /nfs/dbraw/zinc/12/76/46/762127646.db2.gz DRAQRZLZQVLBPK-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108420971 762127651 /nfs/dbraw/zinc/12/76/51/762127651.db2.gz DRAQRZLZQVLBPK-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108420971 762127654 /nfs/dbraw/zinc/12/76/54/762127654.db2.gz DRAQRZLZQVLBPK-SJLPKXTDSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999007519 752432128 /nfs/dbraw/zinc/43/21/28/752432128.db2.gz PIKLHTPUVONMAR-NFOMZHRRSA-N 2 2 316.449 1.978 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999007519 752432130 /nfs/dbraw/zinc/43/21/30/752432130.db2.gz PIKLHTPUVONMAR-NFOMZHRRSA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439376 762189423 /nfs/dbraw/zinc/18/94/23/762189423.db2.gz IODSDFSVXLRBJZ-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439376 762189431 /nfs/dbraw/zinc/18/94/31/762189431.db2.gz IODSDFSVXLRBJZ-INIZCTEOSA-N 2 2 306.410 1.056 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369965 753821778 /nfs/dbraw/zinc/82/17/78/753821778.db2.gz QQYYGQLEJKCMNJ-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369965 753821785 /nfs/dbraw/zinc/82/17/85/753821785.db2.gz QQYYGQLEJKCMNJ-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010369965 753821788 /nfs/dbraw/zinc/82/17/88/753821788.db2.gz QQYYGQLEJKCMNJ-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010369965 753821794 /nfs/dbraw/zinc/82/17/94/753821794.db2.gz QQYYGQLEJKCMNJ-DLBZAZTESA-N 2 2 312.417 1.343 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015236186 756182350 /nfs/dbraw/zinc/18/23/50/756182350.db2.gz WKKODBZLBZXBAF-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015236186 756182354 /nfs/dbraw/zinc/18/23/54/756182354.db2.gz WKKODBZLBZXBAF-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751064 756911800 /nfs/dbraw/zinc/91/18/00/756911800.db2.gz FLTPIEOKXUMVTF-KBUPBQIOSA-N 2 2 302.422 1.536 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082934479 756964381 /nfs/dbraw/zinc/96/43/81/756964381.db2.gz NAMIHSKBPRILHJ-DJIMGWMZSA-N 2 2 321.465 1.110 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC=C ZINC001097249337 757033017 /nfs/dbraw/zinc/03/30/17/757033017.db2.gz VSUSOLOMDNNJPR-NCOADZHNSA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC=C ZINC001097249337 757033018 /nfs/dbraw/zinc/03/30/18/757033018.db2.gz VSUSOLOMDNNJPR-NCOADZHNSA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC=C ZINC001097249337 757033023 /nfs/dbraw/zinc/03/30/23/757033023.db2.gz VSUSOLOMDNNJPR-NCOADZHNSA-N 2 2 301.434 1.382 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC=C ZINC001097249337 757033028 /nfs/dbraw/zinc/03/30/28/757033028.db2.gz VSUSOLOMDNNJPR-NCOADZHNSA-N 2 2 301.434 1.382 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700282 757660398 /nfs/dbraw/zinc/66/03/98/757660398.db2.gz KOWJSBBKIHDFAP-LSDHHAIUSA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700282 757660404 /nfs/dbraw/zinc/66/04/04/757660404.db2.gz KOWJSBBKIHDFAP-LSDHHAIUSA-N 2 2 314.433 1.824 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001152987 762597223 /nfs/dbraw/zinc/59/72/23/762597223.db2.gz VBVCMAAUKOVPML-DOMZBBRYSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001152987 762597230 /nfs/dbraw/zinc/59/72/30/762597230.db2.gz VBVCMAAUKOVPML-DOMZBBRYSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001152987 762597238 /nfs/dbraw/zinc/59/72/38/762597238.db2.gz VBVCMAAUKOVPML-DOMZBBRYSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001152987 762597246 /nfs/dbraw/zinc/59/72/46/762597246.db2.gz VBVCMAAUKOVPML-DOMZBBRYSA-N 2 2 311.857 1.685 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)O2 ZINC001053582520 758595409 /nfs/dbraw/zinc/59/54/09/758595409.db2.gz HLKYODPQDYVQHK-HUUCEWRRSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582520 758595414 /nfs/dbraw/zinc/59/54/14/758595414.db2.gz HLKYODPQDYVQHK-HUUCEWRRSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176948 758603852 /nfs/dbraw/zinc/60/38/52/758603852.db2.gz UYFQAEYYZNTGTK-GASCZTMLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176948 758603857 /nfs/dbraw/zinc/60/38/57/758603857.db2.gz UYFQAEYYZNTGTK-GASCZTMLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CO2 ZINC001054015671 759063898 /nfs/dbraw/zinc/06/38/98/759063898.db2.gz MYVIGGLJNSNVEJ-CVEARBPZSA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)CO2 ZINC001054015671 759063906 /nfs/dbraw/zinc/06/39/06/759063906.db2.gz MYVIGGLJNSNVEJ-CVEARBPZSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382852 759318386 /nfs/dbraw/zinc/31/83/86/759318386.db2.gz ZMFAKOXZAIJLBR-HZPDHXFCSA-N 2 2 323.400 1.531 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001019778256 760242601 /nfs/dbraw/zinc/24/26/01/760242601.db2.gz WDSFSNBPGGHQTD-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038366205 761054449 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C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001001552089 762953185 /nfs/dbraw/zinc/95/31/85/762953185.db2.gz MIDKAMHOSJLQJB-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419585 763017627 /nfs/dbraw/zinc/01/76/27/763017627.db2.gz VQTDEQVINWDPLQ-MAUKXSAKSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041419585 763017630 /nfs/dbraw/zinc/01/76/30/763017630.db2.gz VQTDEQVINWDPLQ-MAUKXSAKSA-N 2 2 314.433 1.556 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001041423958 763020596 /nfs/dbraw/zinc/02/05/96/763020596.db2.gz YCCUDXCQKWMDFR-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001041423958 763020601 /nfs/dbraw/zinc/02/06/01/763020601.db2.gz YCCUDXCQKWMDFR-QAPCUYQASA-N 2 2 312.417 1.003 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041501807 763083326 /nfs/dbraw/zinc/08/33/26/763083326.db2.gz CAWLRYPFQKENNZ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041501807 763083335 /nfs/dbraw/zinc/08/33/35/763083335.db2.gz CAWLRYPFQKENNZ-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151180 763222096 /nfs/dbraw/zinc/22/20/96/763222096.db2.gz HCLTYIRFDVFEKD-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151180 763222106 /nfs/dbraw/zinc/22/21/06/763222106.db2.gz HCLTYIRFDVFEKD-GOEBONIOSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152227 763224403 /nfs/dbraw/zinc/22/44/03/763224403.db2.gz ISZBUIGORADFLI-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152227 763224406 /nfs/dbraw/zinc/22/44/06/763224406.db2.gz ISZBUIGORADFLI-HRCADAONSA-N 2 2 300.406 1.390 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042335214 763933917 /nfs/dbraw/zinc/93/39/17/763933917.db2.gz JXGBBNHFKHAUFD-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001042335214 763933920 /nfs/dbraw/zinc/93/39/20/763933920.db2.gz JXGBBNHFKHAUFD-GOEBONIOSA-N 2 2 302.422 1.760 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001050741094 763984568 /nfs/dbraw/zinc/98/45/68/763984568.db2.gz DEZKXFULAXAVKY-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013477 764295434 /nfs/dbraw/zinc/29/54/34/764295434.db2.gz JLNSUJLEJVNFER-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013477 764295422 /nfs/dbraw/zinc/29/54/22/764295422.db2.gz JLNSUJLEJVNFER-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013477 764295425 /nfs/dbraw/zinc/29/54/25/764295425.db2.gz JLNSUJLEJVNFER-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013477 764295429 /nfs/dbraw/zinc/29/54/29/764295429.db2.gz JLNSUJLEJVNFER-KGLIPLIRSA-N 2 2 317.861 1.286 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053739 764340926 /nfs/dbraw/zinc/34/09/26/764340926.db2.gz USTYZWUOIASLSG-KBMXLJTQSA-N 2 2 300.406 1.098 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110053739 764340930 /nfs/dbraw/zinc/34/09/30/764340930.db2.gz USTYZWUOIASLSG-KBMXLJTQSA-N 2 2 300.406 1.098 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051190589 764600422 /nfs/dbraw/zinc/60/04/22/764600422.db2.gz PVXQTCKBSVTYFV-QGZVFWFLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051190589 764600427 /nfs/dbraw/zinc/60/04/27/764600427.db2.gz PVXQTCKBSVTYFV-QGZVFWFLSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC001044607235 765694406 /nfs/dbraw/zinc/69/44/06/765694406.db2.gz KFJDQWBDKHQEQT-LSDHHAIUSA-N 2 2 316.449 1.917 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001044694877 765756861 /nfs/dbraw/zinc/75/68/61/765756861.db2.gz TVBDHRGSVLARAU-KGLIPLIRSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482420 766340808 /nfs/dbraw/zinc/34/08/08/766340808.db2.gz LMZZRMCADQYKCO-UHFFFAOYSA-N 2 2 320.437 1.897 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130485077 767560299 /nfs/dbraw/zinc/56/02/99/767560299.db2.gz ZWKYWGAHSCEYPO-HNNXBMFYSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435221 767563486 /nfs/dbraw/zinc/56/34/86/767563486.db2.gz ZIHDJAYZOOFMME-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435221 767563487 /nfs/dbraw/zinc/56/34/87/767563487.db2.gz ZIHDJAYZOOFMME-PBHICJAKSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477084 767610648 /nfs/dbraw/zinc/61/06/48/767610648.db2.gz PBSZZKFHDPNMCI-SFHVURJKSA-N 2 2 323.400 1.485 20 30 DDEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046477084 767610660 /nfs/dbraw/zinc/61/06/60/767610660.db2.gz PBSZZKFHDPNMCI-SFHVURJKSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216707 769152024 /nfs/dbraw/zinc/15/20/24/769152024.db2.gz VENGJYBFNZNNMN-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216707 769152026 /nfs/dbraw/zinc/15/20/26/769152026.db2.gz VENGJYBFNZNNMN-RHSMWYFYSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 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WHPFLCRSFMJBLD-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048904695 770089041 /nfs/dbraw/zinc/08/90/41/770089041.db2.gz WHPFLCRSFMJBLD-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051640 770295860 /nfs/dbraw/zinc/29/58/60/770295860.db2.gz XCRMDMJLKZILRS-ZNMIVQPWSA-N 2 2 314.433 1.796 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051640 770295864 /nfs/dbraw/zinc/29/58/64/770295864.db2.gz XCRMDMJLKZILRS-ZNMIVQPWSA-N 2 2 314.433 1.796 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051639 770296515 /nfs/dbraw/zinc/29/65/15/770296515.db2.gz XCRMDMJLKZILRS-QLFBSQMISA-N 2 2 314.433 1.796 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2C1 ZINC001049051639 770296525 /nfs/dbraw/zinc/29/65/25/770296525.db2.gz XCRMDMJLKZILRS-QLFBSQMISA-N 2 2 314.433 1.796 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449116 770851687 /nfs/dbraw/zinc/85/16/87/770851687.db2.gz WZSXDCGLANKTPW-HUUCEWRRSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049449116 770851695 /nfs/dbraw/zinc/85/16/95/770851695.db2.gz WZSXDCGLANKTPW-HUUCEWRRSA-N 2 2 302.422 1.984 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC=C ZINC001049529538 770983217 /nfs/dbraw/zinc/98/32/17/770983217.db2.gz OOCXCVIYFXJNPQ-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC=C ZINC001049529538 770983220 /nfs/dbraw/zinc/98/32/20/770983220.db2.gz OOCXCVIYFXJNPQ-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC=C ZINC001049529538 770983224 /nfs/dbraw/zinc/98/32/24/770983224.db2.gz OOCXCVIYFXJNPQ-KSZLIROESA-N 2 2 315.461 1.725 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC=C 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FRGZFADSVMASDT-KGLIPLIRSA-N 2 2 302.422 1.939 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049897010 771242265 /nfs/dbraw/zinc/24/22/65/771242265.db2.gz PPUCDJXCHDBUCQ-LSDHHAIUSA-N 2 2 311.857 1.900 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049897010 771242272 /nfs/dbraw/zinc/24/22/72/771242272.db2.gz PPUCDJXCHDBUCQ-LSDHHAIUSA-N 2 2 311.857 1.900 20 30 DDEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001098489127 771625742 /nfs/dbraw/zinc/62/57/42/771625742.db2.gz GGWNEAQDIKTDMT-OAHLLOKOSA-N 2 2 320.437 1.306 20 30 DDEDLP C=CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001098489127 771625744 /nfs/dbraw/zinc/62/57/44/771625744.db2.gz GGWNEAQDIKTDMT-OAHLLOKOSA-N 2 2 320.437 1.306 20 30 DDEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853440 771753093 /nfs/dbraw/zinc/75/30/93/771753093.db2.gz XFHXCFJRHZQGFY-ZIAGYGMSSA-N 2 2 313.405 1.940 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001135916169 771786130 /nfs/dbraw/zinc/78/61/30/771786130.db2.gz GWTARPMHPSLIHD-KBPBESRZSA-N 2 2 313.405 1.940 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc2[nH]cc(C)c2c[nH+]1 ZINC001171067502 772221174 /nfs/dbraw/zinc/22/11/74/772221174.db2.gz HWFKXGWPSBCXRD-ZDUSSCGKSA-N 2 2 317.393 1.857 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092695621 774220048 /nfs/dbraw/zinc/22/00/48/774220048.db2.gz DZPCMUSXJCNNCY-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001092695621 774220052 /nfs/dbraw/zinc/22/00/52/774220052.db2.gz DZPCMUSXJCNNCY-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092695621 774220058 /nfs/dbraw/zinc/22/00/58/774220058.db2.gz DZPCMUSXJCNNCY-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001092695621 774220064 /nfs/dbraw/zinc/22/00/64/774220064.db2.gz DZPCMUSXJCNNCY-KBUPBQIOSA-N 2 2 302.422 1.773 20 30 DDEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001100457254 776181723 /nfs/dbraw/zinc/18/17/23/776181723.db2.gz WLJWMYPWPQIRAP-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577516 776350215 /nfs/dbraw/zinc/35/02/15/776350215.db2.gz SQJQQUXRQRGQEP-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171607158 776368410 /nfs/dbraw/zinc/36/84/10/776368410.db2.gz ZNYPUTFOSLQCCO-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001100756851 776504361 /nfs/dbraw/zinc/50/43/61/776504361.db2.gz RHCSDHFHPLBOTQ-UHFFFAOYSA-N 2 2 324.428 1.693 20 30 DDEDLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001101070008 776876499 /nfs/dbraw/zinc/87/64/99/776876499.db2.gz CMMVGLWBBGUGBA-UHFFFAOYSA-N 2 2 322.412 1.419 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071596 777850721 /nfs/dbraw/zinc/85/07/21/777850721.db2.gz QAAYBPZLHVSSGX-BRWVUGGUSA-N 2 2 316.449 1.788 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071596 777850727 /nfs/dbraw/zinc/85/07/27/777850727.db2.gz QAAYBPZLHVSSGX-BRWVUGGUSA-N 2 2 316.449 1.788 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175610 777913404 /nfs/dbraw/zinc/91/34/04/777913404.db2.gz JHMIUVKLIZTHNG-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175610 777913406 /nfs/dbraw/zinc/91/34/06/777913406.db2.gz JHMIUVKLIZTHNG-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483114 778163639 /nfs/dbraw/zinc/16/36/39/778163639.db2.gz YTIQYTJSNMGAOI-RBSFLKMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483114 778163641 /nfs/dbraw/zinc/16/36/41/778163641.db2.gz YTIQYTJSNMGAOI-RBSFLKMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306794 837794482 /nfs/dbraw/zinc/79/44/82/837794482.db2.gz XUFJMLGAGBAEGA-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267306794 837794491 /nfs/dbraw/zinc/79/44/91/837794491.db2.gz XUFJMLGAGBAEGA-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306794 837794495 /nfs/dbraw/zinc/79/44/95/837794495.db2.gz XUFJMLGAGBAEGA-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267306794 837794504 /nfs/dbraw/zinc/79/45/04/837794504.db2.gz XUFJMLGAGBAEGA-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001279422267 836397856 /nfs/dbraw/zinc/39/78/56/836397856.db2.gz GNRICUKJOVIBJQ-OAHLLOKOSA-N 2 2 320.437 1.086 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267060095 837268282 /nfs/dbraw/zinc/26/82/82/837268282.db2.gz DASYTKLAYGZNHG-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267060095 837268289 /nfs/dbraw/zinc/26/82/89/837268289.db2.gz DASYTKLAYGZNHG-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267548465 838286322 /nfs/dbraw/zinc/28/63/22/838286322.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267548465 838286328 /nfs/dbraw/zinc/28/63/28/838286328.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267548465 838286335 /nfs/dbraw/zinc/28/63/35/838286335.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267548465 838286341 /nfs/dbraw/zinc/28/63/41/838286341.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCCC[NH+]1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267647157 838569724 /nfs/dbraw/zinc/56/97/24/838569724.db2.gz PDFDJODQZQQPCU-UHFFFAOYSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCOCC)C1 ZINC001267943059 839233062 /nfs/dbraw/zinc/23/30/62/839233062.db2.gz YAWQQTOCOUTUIN-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC001267943059 839233070 /nfs/dbraw/zinc/23/30/70/839233070.db2.gz YAWQQTOCOUTUIN-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOCC)C1 ZINC001267943059 839233086 /nfs/dbraw/zinc/23/30/86/839233086.db2.gz YAWQQTOCOUTUIN-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268239430 839880125 /nfs/dbraw/zinc/88/01/25/839880125.db2.gz BLZKBZSNROADFU-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268239430 839880133 /nfs/dbraw/zinc/88/01/33/839880133.db2.gz BLZKBZSNROADFU-OAHLLOKOSA-N 2 2 320.437 1.038 20 30 DDEDLP C#CCC[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268577273 840473974 /nfs/dbraw/zinc/47/39/74/840473974.db2.gz QLVCAUGWBHQFCF-SNAWJCMRSA-N 2 2 308.385 1.771 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001268648512 840631804 /nfs/dbraw/zinc/63/18/04/840631804.db2.gz LHMVAQOEYXUIHK-QAPCUYQASA-N 2 2 324.428 1.250 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001268648512 840631812 /nfs/dbraw/zinc/63/18/12/840631812.db2.gz LHMVAQOEYXUIHK-QAPCUYQASA-N 2 2 324.428 1.250 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001269291709 841479300 /nfs/dbraw/zinc/47/93/00/841479300.db2.gz IDJKNWVOFOGTEH-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001269291709 841479305 /nfs/dbraw/zinc/47/93/05/841479305.db2.gz IDJKNWVOFOGTEH-INIZCTEOSA-N 2 2 304.438 1.852 20 30 DDEDLP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001271005729 843127682 /nfs/dbraw/zinc/12/76/82/843127682.db2.gz SYFAFBXRBKIYGS-JKSUJKDBSA-N 2 2 304.438 1.930 20 30 DDEDLP CC#CC[N@@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3)cccc2C1 ZINC001326676360 861534627 /nfs/dbraw/zinc/53/46/27/861534627.db2.gz UOWMNLQEFFMPPX-UHFFFAOYSA-N 2 2 322.412 1.581 20 30 DDEDLP CC#CC[N@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3)cccc2C1 ZINC001326676360 861534632 /nfs/dbraw/zinc/53/46/32/861534632.db2.gz UOWMNLQEFFMPPX-UHFFFAOYSA-N 2 2 322.412 1.581 20 30 DDEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272479341 846188926 /nfs/dbraw/zinc/18/89/26/846188926.db2.gz HXVPQFMCGRIZQT-OAHLLOKOSA-N 2 2 305.422 1.653 20 30 DDEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001272502732 846229281 /nfs/dbraw/zinc/22/92/81/846229281.db2.gz LFJXFEXBCHARLT-HNNXBMFYSA-N 2 2 304.438 1.757 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275033 848224616 /nfs/dbraw/zinc/22/46/16/848224616.db2.gz YJINDNLQTYBCBS-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275033 848224624 /nfs/dbraw/zinc/22/46/24/848224624.db2.gz YJINDNLQTYBCBS-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279858 848242085 /nfs/dbraw/zinc/24/20/85/848242085.db2.gz YIYVISXUMLPXIF-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279858 848242091 /nfs/dbraw/zinc/24/20/91/848242091.db2.gz YIYVISXUMLPXIF-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508179 862286729 /nfs/dbraw/zinc/28/67/29/862286729.db2.gz OXOARPWYUCRWLC-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508179 862286741 /nfs/dbraw/zinc/28/67/41/862286741.db2.gz OXOARPWYUCRWLC-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001275609386 853430017 /nfs/dbraw/zinc/43/00/17/853430017.db2.gz QROUZZITLSOKNL-UHFFFAOYSA-N 2 2 302.422 1.725 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001275609386 853430022 /nfs/dbraw/zinc/43/00/22/853430022.db2.gz QROUZZITLSOKNL-UHFFFAOYSA-N 2 2 302.422 1.725 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771839 855336579 /nfs/dbraw/zinc/33/65/79/855336579.db2.gz AGSRTEQHUGQSOY-KMFMINBZSA-N 2 2 312.417 1.117 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771839 855336586 /nfs/dbraw/zinc/33/65/86/855336586.db2.gz AGSRTEQHUGQSOY-KMFMINBZSA-N 2 2 312.417 1.117 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073044783 858041139 /nfs/dbraw/zinc/04/11/39/858041139.db2.gz DYWCHPKPJJWMDF-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001073044783 858041145 /nfs/dbraw/zinc/04/11/45/858041145.db2.gz DYWCHPKPJJWMDF-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073044783 858041151 /nfs/dbraw/zinc/04/11/51/858041151.db2.gz DYWCHPKPJJWMDF-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073044783 858041156 /nfs/dbraw/zinc/04/11/56/858041156.db2.gz DYWCHPKPJJWMDF-CQSZACIVSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(NCC)c2)CC1 ZINC001123598535 859321597 /nfs/dbraw/zinc/32/15/97/859321597.db2.gz CNXBKHHPLJNMDW-UHFFFAOYSA-N 2 2 317.437 1.963 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224804327 881542300 /nfs/dbraw/zinc/54/23/00/881542300.db2.gz DZCNNCSVRXQRHN-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224804327 881542308 /nfs/dbraw/zinc/54/23/08/881542308.db2.gz DZCNNCSVRXQRHN-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806668 864914854 /nfs/dbraw/zinc/91/48/54/864914854.db2.gz NYRCFBVOZAFNIP-MRXNPFEDSA-N 2 2 304.438 1.852 20 30 DDEDLP N#Cc1cc(F)c(Cl)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508485 865889672 /nfs/dbraw/zinc/88/96/72/865889672.db2.gz HMYGXRPIQDZUGO-AWEZNQCLSA-N 2 2 309.776 1.581 20 30 DDEDLP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001319862897 866353060 /nfs/dbraw/zinc/35/30/60/866353060.db2.gz HZCQUCFADCUJHZ-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP COCCN(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322418300 868157865 /nfs/dbraw/zinc/15/78/65/868157865.db2.gz YFTCLDOLFAHIOZ-UHFFFAOYSA-N 2 2 308.401 1.490 20 30 DDEDLP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001322661342 868309606 /nfs/dbraw/zinc/30/96/06/868309606.db2.gz DJCMJUOEMHHYHS-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001322661342 868309622 /nfs/dbraw/zinc/30/96/22/868309622.db2.gz DJCMJUOEMHHYHS-KRWDZBQOSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317190668 870443333 /nfs/dbraw/zinc/44/33/33/870443333.db2.gz WKOIYDQKUAUIRH-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606730 870670024 /nfs/dbraw/zinc/67/00/24/870670024.db2.gz QMMFVJAOIQMZQF-CABCVRRESA-N 2 2 300.406 1.003 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203677341 870706138 /nfs/dbraw/zinc/70/61/38/870706138.db2.gz KPLUUDPEEGNJHH-JKSUJKDBSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001342421557 872201368 /nfs/dbraw/zinc/20/13/68/872201368.db2.gz JOLRVHQFPHGMKF-KRWDZBQOSA-N 2 2 317.408 1.644 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001318803757 872279760 /nfs/dbraw/zinc/27/97/60/872279760.db2.gz HEBALTFPAHFNRK-JKSUJKDBSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447824 874147960 /nfs/dbraw/zinc/14/79/60/874147960.db2.gz QZFDYOZWKPEORQ-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209866107 875150161 /nfs/dbraw/zinc/15/01/61/875150161.db2.gz NZSZAYZZDLBRFK-HZPDHXFCSA-N 2 2 320.437 1.617 20 30 DDEDLP N#Cc1ccc(-c2ccccc2NC(=O)C2([NH3+])CC[NH2+]CC2)nc1 ZINC001219422154 878197725 /nfs/dbraw/zinc/19/77/25/878197725.db2.gz HCRSYRXSYNTUML-UHFFFAOYSA-N 2 2 321.384 1.640 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380032105 878617706 /nfs/dbraw/zinc/61/77/06/878617706.db2.gz GUSZYDMALIEGQJ-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380032105 878617717 /nfs/dbraw/zinc/61/77/17/878617717.db2.gz GUSZYDMALIEGQJ-KRWDZBQOSA-N 2 2 323.400 1.454 20 30 DDEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC001221346950 879705220 /nfs/dbraw/zinc/70/52/20/879705220.db2.gz BFDDOLZFMQMYTJ-QGZVFWFLSA-N 2 2 314.433 1.768 20 30 DDEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC001221346950 879705242 /nfs/dbraw/zinc/70/52/42/879705242.db2.gz BFDDOLZFMQMYTJ-QGZVFWFLSA-N 2 2 314.433 1.768 20 30 DDEDLP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001277324938 883646785 /nfs/dbraw/zinc/64/67/85/883646785.db2.gz VDDFYTZJKCFPHX-MQVJKMGUSA-N 2 2 300.406 1.408 20 30 DDEDLP C=CCOCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001277429339 884220229 /nfs/dbraw/zinc/22/02/29/884220229.db2.gz MJNYWOSTQZCWIS-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001277429339 884220248 /nfs/dbraw/zinc/22/02/48/884220248.db2.gz MJNYWOSTQZCWIS-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230611500 884651712 /nfs/dbraw/zinc/65/17/12/884651712.db2.gz SWNACUSXGSYROK-MRXNPFEDSA-N 2 2 306.454 1.555 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435500 887971043 /nfs/dbraw/zinc/97/10/43/887971043.db2.gz ITPSFNAGKXZDDB-MRXNPFEDSA-N 2 2 316.449 1.871 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435500 887971049 /nfs/dbraw/zinc/97/10/49/887971049.db2.gz ITPSFNAGKXZDDB-MRXNPFEDSA-N 2 2 316.449 1.871 20 30 DDEDLP N#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277936278 888543009 /nfs/dbraw/zinc/54/30/09/888543009.db2.gz DKZPPPLZCVSVIV-INIZCTEOSA-N 2 2 316.449 1.309 20 30 DDEDLP N#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001277936278 888543018 /nfs/dbraw/zinc/54/30/18/888543018.db2.gz DKZPPPLZCVSVIV-INIZCTEOSA-N 2 2 316.449 1.309 20 30 DDEDLP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001364728688 889288086 /nfs/dbraw/zinc/28/80/86/889288086.db2.gz MPMOCQIGIBSXJU-CRAIPNDOSA-N 2 2 312.461 1.966 20 30 DDEDLP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001364728688 889288105 /nfs/dbraw/zinc/28/81/05/889288105.db2.gz MPMOCQIGIBSXJU-CRAIPNDOSA-N 2 2 312.461 1.966 20 30 DDEDLP C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH+](CC)CC1 ZINC001278163070 889937347 /nfs/dbraw/zinc/93/73/47/889937347.db2.gz AGFVPLVGDLZEGU-HNNXBMFYSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC(=C)C)CC1 ZINC001278169545 889941128 /nfs/dbraw/zinc/94/11/28/889941128.db2.gz OANGPHYPUNGBJJ-UHFFFAOYSA-N 2 2 314.433 1.776 20 30 DDEDLP C=C[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC001245980293 892298408 /nfs/dbraw/zinc/29/84/08/892298408.db2.gz IGEGLRWOLVXXHR-CVEARBPZSA-N 2 2 306.406 1.364 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001366047534 892320962 /nfs/dbraw/zinc/32/09/62/892320962.db2.gz YCELQZJTBIGDBU-CYBMUJFWSA-N 2 2 310.829 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823353 900737674 /nfs/dbraw/zinc/73/76/74/900737674.db2.gz LJOGSGXUAHQXNA-KRWDZBQOSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001263823353 900737687 /nfs/dbraw/zinc/73/76/87/900737687.db2.gz LJOGSGXUAHQXNA-KRWDZBQOSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001263823353 900737695 /nfs/dbraw/zinc/73/76/95/900737695.db2.gz LJOGSGXUAHQXNA-KRWDZBQOSA-N 2 2 301.434 1.837 20 30 DDEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001263823353 900737704 /nfs/dbraw/zinc/73/77/04/900737704.db2.gz LJOGSGXUAHQXNA-KRWDZBQOSA-N 2 2 301.434 1.837 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001263907693 900812758 /nfs/dbraw/zinc/81/27/58/900812758.db2.gz GRCRDJGIQSNLQV-ARFHVFGLSA-N 2 2 314.433 1.343 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001264395260 901084488 /nfs/dbraw/zinc/08/44/88/901084488.db2.gz PCRQGPOJGWEHPZ-KFWWJZLASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001265677696 902290976 /nfs/dbraw/zinc/29/09/76/902290976.db2.gz OQJQYSHZEXEMJI-OAHLLOKOSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001265682408 902295855 /nfs/dbraw/zinc/29/58/55/902295855.db2.gz QUOXOBAVKSKFHL-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C#CC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001279368337 903236384 /nfs/dbraw/zinc/23/63/84/903236384.db2.gz OKWCSJRIZUCXFT-OAHLLOKOSA-N 2 2 314.433 1.828 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001280129075 903522859 /nfs/dbraw/zinc/52/28/59/903522859.db2.gz UJUYDRRASGCZPP-AWEZNQCLSA-N 2 2 324.856 1.933 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611632 904962764 /nfs/dbraw/zinc/96/27/64/904962764.db2.gz VTWZSVLQFNMEME-QZTJIDSGSA-N 2 2 313.445 1.845 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611632 904962774 /nfs/dbraw/zinc/96/27/74/904962774.db2.gz VTWZSVLQFNMEME-QZTJIDSGSA-N 2 2 313.445 1.845 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001392799775 905290868 /nfs/dbraw/zinc/29/08/68/905290868.db2.gz KVIISOIODKFRKR-QGZVFWFLSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001281941443 905337715 /nfs/dbraw/zinc/33/77/15/905337715.db2.gz HYMSZMLMBITJAH-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001281941443 905337731 /nfs/dbraw/zinc/33/77/31/905337731.db2.gz HYMSZMLMBITJAH-HUUCEWRRSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001282942025 906297685 /nfs/dbraw/zinc/29/76/85/906297685.db2.gz ZHNMDWJRWGBYEY-GJZGRUSLSA-N 2 2 306.410 1.055 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001394133113 908924630 /nfs/dbraw/zinc/92/46/30/908924630.db2.gz IWLHAKHRSJXOCJ-JSGCOSHPSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001394133113 908924647 /nfs/dbraw/zinc/92/46/47/908924647.db2.gz IWLHAKHRSJXOCJ-JSGCOSHPSA-N 2 2 317.861 1.144 20 30 DDEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001284773768 909474564 /nfs/dbraw/zinc/47/45/64/909474564.db2.gz JWLLIBIRJKNOQV-FHERZECASA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001373673064 910575855 /nfs/dbraw/zinc/57/58/55/910575855.db2.gz NOCKSNQPZUOCOG-KGLIPLIRSA-N 2 2 319.852 1.952 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001373673064 910575861 /nfs/dbraw/zinc/57/58/61/910575861.db2.gz NOCKSNQPZUOCOG-KGLIPLIRSA-N 2 2 319.852 1.952 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000330873246 232128645 /nfs/dbraw/zinc/12/86/45/232128645.db2.gz HPDNIDYEYXTMAB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000330873246 232128649 /nfs/dbraw/zinc/12/86/49/232128649.db2.gz HPDNIDYEYXTMAB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873246 232128651 /nfs/dbraw/zinc/12/86/51/232128651.db2.gz HPDNIDYEYXTMAB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC[NH+]1C ZINC000330873246 232128654 /nfs/dbraw/zinc/12/86/54/232128654.db2.gz HPDNIDYEYXTMAB-YOEHRIQHSA-N 2 2 314.433 1.589 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000081646813 353686591 /nfs/dbraw/zinc/68/65/91/353686591.db2.gz RUMRFLYYUAARSY-OAHLLOKOSA-N 2 2 317.408 1.596 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000081646813 353686596 /nfs/dbraw/zinc/68/65/96/353686596.db2.gz RUMRFLYYUAARSY-OAHLLOKOSA-N 2 2 317.408 1.596 20 30 DDEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507138 356524442 /nfs/dbraw/zinc/52/44/42/356524442.db2.gz KFSVERDNJQELTH-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507138 356524443 /nfs/dbraw/zinc/52/44/43/356524443.db2.gz KFSVERDNJQELTH-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507138 356524446 /nfs/dbraw/zinc/52/44/46/356524446.db2.gz KFSVERDNJQELTH-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507138 356524448 /nfs/dbraw/zinc/52/44/48/356524448.db2.gz KFSVERDNJQELTH-QGZVFWFLSA-N 2 2 317.437 1.060 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602529296 359028106 /nfs/dbraw/zinc/02/81/06/359028106.db2.gz ULRHAHSRBRVCTN-GPANFISMSA-N 2 2 306.454 1.601 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602529296 359028110 /nfs/dbraw/zinc/02/81/10/359028110.db2.gz ULRHAHSRBRVCTN-GPANFISMSA-N 2 2 306.454 1.601 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000109787105 194285152 /nfs/dbraw/zinc/28/51/52/194285152.db2.gz UMGWUHXOGFDJNM-KRWDZBQOSA-N 2 2 308.470 1.847 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000109787105 194285154 /nfs/dbraw/zinc/28/51/54/194285154.db2.gz UMGWUHXOGFDJNM-KRWDZBQOSA-N 2 2 308.470 1.847 20 30 DDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156408965 197111244 /nfs/dbraw/zinc/11/12/44/197111244.db2.gz CTBKWHSZPSUGOM-SFHVURJKSA-N 2 2 317.433 1.370 20 30 DDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156408965 197111245 /nfs/dbraw/zinc/11/12/45/197111245.db2.gz CTBKWHSZPSUGOM-SFHVURJKSA-N 2 2 317.433 1.370 20 30 DDEDLP C[C@H]1CN(c2ncc(C#N)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000413224479 224157444 /nfs/dbraw/zinc/15/74/44/224157444.db2.gz YIHMDECAQRANFJ-ZDUSSCGKSA-N 2 2 317.412 1.697 20 30 DDEDLP C[C@H]1CN(c2ncc(C#N)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000413224479 224157447 /nfs/dbraw/zinc/15/74/47/224157447.db2.gz YIHMDECAQRANFJ-ZDUSSCGKSA-N 2 2 317.412 1.697 20 30 DDEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050429 195287907 /nfs/dbraw/zinc/28/79/07/195287907.db2.gz JDPMCSYFVGEYDW-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000121050429 195287910 /nfs/dbraw/zinc/28/79/10/195287910.db2.gz JDPMCSYFVGEYDW-MRXNPFEDSA-N 2 2 315.417 1.721 20 30 DDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000115543981 407690065 /nfs/dbraw/zinc/69/00/65/407690065.db2.gz RGXMLWQSCNFQLL-INIZCTEOSA-N 2 2 309.373 1.618 20 30 DDEDLP NC(=[NH+]O[C@H]1CCNC1=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000179118825 407727963 /nfs/dbraw/zinc/72/79/63/407727963.db2.gz YSYZNRLFUXCJDO-HNNXBMFYSA-N 2 2 316.405 1.198 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000119612416 408103064 /nfs/dbraw/zinc/10/30/64/408103064.db2.gz ITNSQMBDUADEPB-AWEZNQCLSA-N 2 2 304.463 1.832 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000119612416 408103071 /nfs/dbraw/zinc/10/30/71/408103071.db2.gz ITNSQMBDUADEPB-AWEZNQCLSA-N 2 2 304.463 1.832 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000269420734 408303174 /nfs/dbraw/zinc/30/31/74/408303174.db2.gz LRAQGJFWGYNANK-HNNXBMFYSA-N 2 2 304.369 1.127 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000297455356 409916109 /nfs/dbraw/zinc/91/61/09/409916109.db2.gz KFBPEAWRNZSOCW-UHFFFAOYSA-N 2 2 303.410 1.185 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000297455356 409916115 /nfs/dbraw/zinc/91/61/15/409916115.db2.gz KFBPEAWRNZSOCW-UHFFFAOYSA-N 2 2 303.410 1.185 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328610318 409933711 /nfs/dbraw/zinc/93/37/11/409933711.db2.gz NPLHNTGSDBKPEH-LSDHHAIUSA-N 2 2 317.437 1.845 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000328610318 409933716 /nfs/dbraw/zinc/93/37/16/409933716.db2.gz NPLHNTGSDBKPEH-LSDHHAIUSA-N 2 2 317.437 1.845 20 30 DDEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328623567 409936671 /nfs/dbraw/zinc/93/66/71/409936671.db2.gz YZVYYGXAXZTABQ-KFWWJZLASA-N 2 2 319.453 1.947 20 30 DDEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328623567 409936676 /nfs/dbraw/zinc/93/66/76/409936676.db2.gz YZVYYGXAXZTABQ-KFWWJZLASA-N 2 2 319.453 1.947 20 30 DDEDLP C[C@H](CC[NH+]=C([O-])N1CCn2cc[nH+]c2C1)[NH+]1CCCCC1 ZINC000329758989 410433836 /nfs/dbraw/zinc/43/38/36/410433836.db2.gz OHWDJIONKUCDDO-CQSZACIVSA-N 2 2 305.426 1.877 20 30 DDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000330367809 410645478 /nfs/dbraw/zinc/64/54/78/410645478.db2.gz GMYRRTMNRHSSHB-UHFFFAOYSA-N 2 2 300.406 1.913 20 30 DDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000330367809 410645485 /nfs/dbraw/zinc/64/54/85/410645485.db2.gz GMYRRTMNRHSSHB-UHFFFAOYSA-N 2 2 300.406 1.913 20 30 DDEDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352837641 410679747 /nfs/dbraw/zinc/67/97/47/410679747.db2.gz OWYYDBAIYOFUGD-UHFFFAOYSA-N 2 2 308.451 1.994 20 30 DDEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421838 418599772 /nfs/dbraw/zinc/59/97/72/418599772.db2.gz BXCLQKNIBKWEEG-GXTWGEPZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421838 418599773 /nfs/dbraw/zinc/59/97/73/418599773.db2.gz BXCLQKNIBKWEEG-GXTWGEPZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421838 418599775 /nfs/dbraw/zinc/59/97/75/418599775.db2.gz BXCLQKNIBKWEEG-GXTWGEPZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000367421838 418599777 /nfs/dbraw/zinc/59/97/77/418599777.db2.gz BXCLQKNIBKWEEG-GXTWGEPZSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CCC(CNC(=[NH2+])NCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000262513769 222284741 /nfs/dbraw/zinc/28/47/41/222284741.db2.gz FHCQVTDOHKSMEH-UHFFFAOYSA-N 3 2 321.513 1.641 20 30 DDEDLP COc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+](C)C)cc1OC ZINC000262657131 222287969 /nfs/dbraw/zinc/28/79/69/222287969.db2.gz LXWFIRHZLISUFO-WCQYABFASA-N 2 2 306.410 1.244 20 30 DDEDLP CNC(NCCCCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]C ZINC000264070142 222312275 /nfs/dbraw/zinc/31/22/75/222312275.db2.gz CXWGLTVCKIXDMR-UHFFFAOYSA-N 2 2 317.481 1.379 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000363417463 418765599 /nfs/dbraw/zinc/76/55/99/418765599.db2.gz IOPMBDCZUGZABN-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000363417463 418765601 /nfs/dbraw/zinc/76/56/01/418765601.db2.gz IOPMBDCZUGZABN-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449223378 420972527 /nfs/dbraw/zinc/97/25/27/420972527.db2.gz JMLWLKBXWYLZLU-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cnc12 ZINC000563811121 421545405 /nfs/dbraw/zinc/54/54/05/421545405.db2.gz RMAJBSPCTYRZRX-UHFFFAOYSA-N 2 2 310.405 1.707 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COCCN3)CC2)cc1 ZINC000530224152 421587478 /nfs/dbraw/zinc/58/74/78/421587478.db2.gz JXUITLDSFWDLAG-GOSISDBHSA-N 2 2 314.433 1.101 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000530224152 421587481 /nfs/dbraw/zinc/58/74/81/421587481.db2.gz JXUITLDSFWDLAG-GOSISDBHSA-N 2 2 314.433 1.101 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000572631660 421806889 /nfs/dbraw/zinc/80/68/89/421806889.db2.gz AZRHGPBSSMUMRC-IAGOWNOFSA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000572631660 421806892 /nfs/dbraw/zinc/80/68/92/421806892.db2.gz AZRHGPBSSMUMRC-IAGOWNOFSA-N 2 2 304.434 1.839 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000344252090 268072766 /nfs/dbraw/zinc/07/27/66/268072766.db2.gz AJUGTVFEIFTXAZ-OAHLLOKOSA-N 2 2 318.396 1.374 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000344252090 268072767 /nfs/dbraw/zinc/07/27/67/268072767.db2.gz AJUGTVFEIFTXAZ-OAHLLOKOSA-N 2 2 318.396 1.374 20 30 DDEDLP C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343969510 297010338 /nfs/dbraw/zinc/01/03/38/297010338.db2.gz DPZWNHGHQNPYBY-BRWVUGGUSA-N 2 2 303.454 1.388 20 30 DDEDLP C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343969510 297010341 /nfs/dbraw/zinc/01/03/41/297010341.db2.gz DPZWNHGHQNPYBY-BRWVUGGUSA-N 2 2 303.454 1.388 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330250141 295385414 /nfs/dbraw/zinc/38/54/14/295385414.db2.gz HBIIVDSADPMAEX-CHWSQXEVSA-N 2 2 314.393 1.715 20 30 DDEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572374945 308219749 /nfs/dbraw/zinc/21/97/49/308219749.db2.gz FSKJEMFLJJFKHA-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572374945 308219751 /nfs/dbraw/zinc/21/97/51/308219751.db2.gz FSKJEMFLJJFKHA-SFHVURJKSA-N 2 2 313.449 1.555 20 30 DDEDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C#N)c[nH+]1 ZINC000574034565 308259328 /nfs/dbraw/zinc/25/93/28/308259328.db2.gz WMZJPRJMTFDDHD-UHFFFAOYSA-N 2 2 322.416 1.443 20 30 DDEDLP Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c[nH+]1 ZINC000535061807 334361756 /nfs/dbraw/zinc/36/17/56/334361756.db2.gz GIFJCWDQKBOJMX-UHFFFAOYSA-N 2 2 303.410 1.820 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000520604643 335994207 /nfs/dbraw/zinc/99/42/07/335994207.db2.gz WLEHLINZFPTOMJ-HZPDHXFCSA-N 2 2 302.422 1.687 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000491705612 526949759 /nfs/dbraw/zinc/94/97/59/526949759.db2.gz VWMRHSVTTKRZBU-CYBMUJFWSA-N 2 2 320.824 1.163 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331002081 526957302 /nfs/dbraw/zinc/95/73/02/526957302.db2.gz QVQXFIXTVKXFHH-NWDGAFQWSA-N 2 2 305.382 1.194 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331002081 526957308 /nfs/dbraw/zinc/95/73/08/526957308.db2.gz QVQXFIXTVKXFHH-NWDGAFQWSA-N 2 2 305.382 1.194 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000491688430 526982335 /nfs/dbraw/zinc/98/23/35/526982335.db2.gz BKZHWHXTWSVMGZ-SFHVURJKSA-N 2 2 313.445 1.861 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000491537004 526982521 /nfs/dbraw/zinc/98/25/21/526982521.db2.gz NNKHCEULXLTILB-SFHVURJKSA-N 2 2 313.445 1.770 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000491537004 526982524 /nfs/dbraw/zinc/98/25/24/526982524.db2.gz NNKHCEULXLTILB-SFHVURJKSA-N 2 2 313.445 1.770 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C)(C)C#N)CC2)CC1 ZINC000331536003 528972885 /nfs/dbraw/zinc/97/28/85/528972885.db2.gz NTBKVQBMMSVCRB-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C)(C)C#N)CC2)CC1 ZINC000331536003 528972888 /nfs/dbraw/zinc/97/28/88/528972888.db2.gz NTBKVQBMMSVCRB-UHFFFAOYSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720838 529060664 /nfs/dbraw/zinc/06/06/64/529060664.db2.gz MWXSFGLVXMBUIF-QWHCGFSZSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720838 529060671 /nfs/dbraw/zinc/06/06/71/529060671.db2.gz MWXSFGLVXMBUIF-QWHCGFSZSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720838 529060674 /nfs/dbraw/zinc/06/06/74/529060674.db2.gz MWXSFGLVXMBUIF-QWHCGFSZSA-N 2 2 305.426 1.597 20 30 DDEDLP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720838 529060679 /nfs/dbraw/zinc/06/06/79/529060679.db2.gz MWXSFGLVXMBUIF-QWHCGFSZSA-N 2 2 305.426 1.597 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980223758 696712390 /nfs/dbraw/zinc/71/23/90/696712390.db2.gz XLLBOHHYNRVRMV-RRFJBIMHSA-N 2 2 302.422 1.365 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980223758 696712391 /nfs/dbraw/zinc/71/23/91/696712391.db2.gz XLLBOHHYNRVRMV-RRFJBIMHSA-N 2 2 302.422 1.365 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980245002 696717443 /nfs/dbraw/zinc/71/74/43/696717443.db2.gz LEWMSRYPILQIOK-KKUMJFAQSA-N 2 2 322.840 1.852 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980245002 696717444 /nfs/dbraw/zinc/71/74/44/696717444.db2.gz LEWMSRYPILQIOK-KKUMJFAQSA-N 2 2 322.840 1.852 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980245005 696717465 /nfs/dbraw/zinc/71/74/65/696717465.db2.gz LEWMSRYPILQIOK-RRFJBIMHSA-N 2 2 322.840 1.852 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980245005 696717468 /nfs/dbraw/zinc/71/74/68/696717468.db2.gz LEWMSRYPILQIOK-RRFJBIMHSA-N 2 2 322.840 1.852 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739579 695723393 /nfs/dbraw/zinc/72/33/93/695723393.db2.gz DVFHNXPCOCVZLF-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000974739579 695723395 /nfs/dbraw/zinc/72/33/95/695723395.db2.gz DVFHNXPCOCVZLF-ZIAGYGMSSA-N 2 2 302.422 1.458 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035865 695781729 /nfs/dbraw/zinc/78/17/29/695781729.db2.gz BZHRRMLWMFCQHT-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000975035865 695781730 /nfs/dbraw/zinc/78/17/30/695781730.db2.gz BZHRRMLWMFCQHT-DZGCQCFKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975038389 695782163 /nfs/dbraw/zinc/78/21/63/695782163.db2.gz DROORECHUCQQTL-NFAWXSAZSA-N 2 2 302.422 1.536 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975038389 695782164 /nfs/dbraw/zinc/78/21/64/695782164.db2.gz DROORECHUCQQTL-NFAWXSAZSA-N 2 2 302.422 1.536 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000104160726 696619007 /nfs/dbraw/zinc/61/90/07/696619007.db2.gz VJUZODAUZCBAHQ-HOTGVXAUSA-N 2 2 309.502 1.305 20 30 DDEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103267 697005302 /nfs/dbraw/zinc/00/53/02/697005302.db2.gz UHOCOVKVTVMPSG-GJZGRUSLSA-N 2 2 316.449 1.965 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042832 697012087 /nfs/dbraw/zinc/01/20/87/697012087.db2.gz TXGCTABJCXHHES-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042832 697012090 /nfs/dbraw/zinc/01/20/90/697012090.db2.gz TXGCTABJCXHHES-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634646 697162578 /nfs/dbraw/zinc/16/25/78/697162578.db2.gz NFGVZSYDWPGWJC-JCGIZDLHSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982634646 697162580 /nfs/dbraw/zinc/16/25/80/697162580.db2.gz NFGVZSYDWPGWJC-JCGIZDLHSA-N 2 2 314.433 1.392 20 30 DDEDLP CCC(CC)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCOCC1 ZINC000303777057 698606542 /nfs/dbraw/zinc/60/65/42/698606542.db2.gz IMFVCRQURDVZHI-INIZCTEOSA-N 2 2 310.486 1.924 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000989673419 698720172 /nfs/dbraw/zinc/72/01/72/698720172.db2.gz VYMLIGWJFKGXSJ-KGLIPLIRSA-N 2 2 309.373 1.093 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991443114 699325841 /nfs/dbraw/zinc/32/58/41/699325841.db2.gz BHQCCUXQPFSYMF-HDMKZQKVSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991443114 699325844 /nfs/dbraw/zinc/32/58/44/699325844.db2.gz BHQCCUXQPFSYMF-HDMKZQKVSA-N 2 2 314.433 1.745 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000730106203 699501770 /nfs/dbraw/zinc/50/17/70/699501770.db2.gz WDCABGQTIASPCE-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000730106203 699501771 /nfs/dbraw/zinc/50/17/71/699501771.db2.gz WDCABGQTIASPCE-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000730106203 699501772 /nfs/dbraw/zinc/50/17/72/699501772.db2.gz WDCABGQTIASPCE-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000730106203 699501773 /nfs/dbraw/zinc/50/17/73/699501773.db2.gz WDCABGQTIASPCE-HOTGVXAUSA-N 2 2 305.466 1.711 20 30 DDEDLP C[C@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000793117959 699733804 /nfs/dbraw/zinc/73/38/04/699733804.db2.gz YIUCPZFQIIOROC-ZDUSSCGKSA-N 2 2 304.442 1.587 20 30 DDEDLP C#CCOCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656946 702437983 /nfs/dbraw/zinc/43/79/83/702437983.db2.gz RKOSJADTKSMTOZ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP C#CCOCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656946 702437988 /nfs/dbraw/zinc/43/79/88/702437988.db2.gz RKOSJADTKSMTOZ-UHFFFAOYSA-N 2 2 321.465 1.045 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC1CC1 ZINC000848990466 703607596 /nfs/dbraw/zinc/60/75/96/703607596.db2.gz MMDSGPHNTOAKJA-UHFFFAOYSA-N 2 2 301.438 1.136 20 30 DDEDLP C[C@@]1(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC[NH2+]C1 ZINC000873222090 707773808 /nfs/dbraw/zinc/77/38/08/707773808.db2.gz YZFYMVKCRIAOSA-QGZVFWFLSA-N 2 2 302.397 1.819 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCNc1cccc[nH+]1)C2 ZINC000884192350 708180746 /nfs/dbraw/zinc/18/07/46/708180746.db2.gz CWPKPRMFAIGXMG-XOYHFGRZSA-N 2 2 313.405 1.139 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130378 708965715 /nfs/dbraw/zinc/96/57/15/708965715.db2.gz CFFQCSMSOMPCET-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130378 708965718 /nfs/dbraw/zinc/96/57/18/708965718.db2.gz CFFQCSMSOMPCET-MRXNPFEDSA-N 2 2 314.433 1.793 20 30 DDEDLP COCC[N@H+](C)CCNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912506747 711356975 /nfs/dbraw/zinc/35/69/75/711356975.db2.gz BQNACUJWAVPRMZ-CQSZACIVSA-N 2 2 314.474 1.077 20 30 DDEDLP COCC[N@@H+](C)CCNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912506747 711356980 /nfs/dbraw/zinc/35/69/80/711356980.db2.gz BQNACUJWAVPRMZ-CQSZACIVSA-N 2 2 314.474 1.077 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309898 714062181 /nfs/dbraw/zinc/06/21/81/714062181.db2.gz UITSQFMXNKWNGH-RYQLBKOJSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309898 714062183 /nfs/dbraw/zinc/06/21/83/714062183.db2.gz UITSQFMXNKWNGH-RYQLBKOJSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309898 714062185 /nfs/dbraw/zinc/06/21/85/714062185.db2.gz UITSQFMXNKWNGH-RYQLBKOJSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309898 714062186 /nfs/dbraw/zinc/06/21/86/714062186.db2.gz UITSQFMXNKWNGH-RYQLBKOJSA-N 2 2 305.466 1.849 20 30 DDEDLP C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000934469537 714827964 /nfs/dbraw/zinc/82/79/64/714827964.db2.gz DXMPJJQCHOGVPD-GOSISDBHSA-N 2 2 313.445 1.981 20 30 DDEDLP C=CC[C@@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000934469537 714827968 /nfs/dbraw/zinc/82/79/68/714827968.db2.gz DXMPJJQCHOGVPD-GOSISDBHSA-N 2 2 313.445 1.981 20 30 DDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000939217052 716170408 /nfs/dbraw/zinc/17/04/08/716170408.db2.gz ZUSQIQCACYDEDN-CXAGYDPISA-N 2 2 323.400 1.461 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836892 716709954 /nfs/dbraw/zinc/70/99/54/716709954.db2.gz LNQJPSUHFGRBQH-FICVDOATSA-N 2 2 316.792 1.747 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836892 716709956 /nfs/dbraw/zinc/70/99/56/716709956.db2.gz LNQJPSUHFGRBQH-FICVDOATSA-N 2 2 316.792 1.747 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290028 716897710 /nfs/dbraw/zinc/89/77/10/716897710.db2.gz ZLPTYINFISCLQT-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000961290028 716897716 /nfs/dbraw/zinc/89/77/16/716897716.db2.gz ZLPTYINFISCLQT-IAGOWNOFSA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963443999 717792312 /nfs/dbraw/zinc/79/23/12/717792312.db2.gz UXTJQEUCABRCEL-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963443999 717792316 /nfs/dbraw/zinc/79/23/16/717792316.db2.gz UXTJQEUCABRCEL-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401453 718871728 /nfs/dbraw/zinc/87/17/28/718871728.db2.gz BJIMIPPXUQDPTG-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000967401453 718871734 /nfs/dbraw/zinc/87/17/34/718871734.db2.gz BJIMIPPXUQDPTG-HOCLYGCPSA-N 2 2 316.449 1.775 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948899199 719773747 /nfs/dbraw/zinc/77/37/47/719773747.db2.gz RBNUUVOJKVAFRE-QZTJIDSGSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000948899199 719773749 /nfs/dbraw/zinc/77/37/49/719773749.db2.gz RBNUUVOJKVAFRE-QZTJIDSGSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899199 719773754 /nfs/dbraw/zinc/77/37/54/719773754.db2.gz RBNUUVOJKVAFRE-QZTJIDSGSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000948899199 719773757 /nfs/dbraw/zinc/77/37/57/719773757.db2.gz RBNUUVOJKVAFRE-QZTJIDSGSA-N 2 2 311.429 1.429 20 30 DDEDLP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948979234 719821141 /nfs/dbraw/zinc/82/11/41/719821141.db2.gz SUVDESROQYPYQK-GOSISDBHSA-N 2 2 323.440 1.431 20 30 DDEDLP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948979234 719821146 /nfs/dbraw/zinc/82/11/46/719821146.db2.gz SUVDESROQYPYQK-GOSISDBHSA-N 2 2 323.440 1.431 20 30 DDEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968920687 719870615 /nfs/dbraw/zinc/87/06/15/719870615.db2.gz XQRZZRNGTODAOH-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000968920687 719870618 /nfs/dbraw/zinc/87/06/18/719870618.db2.gz XQRZZRNGTODAOH-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000970130440 720637212 /nfs/dbraw/zinc/63/72/12/720637212.db2.gz IBJQITOCKGHXQD-AWEZNQCLSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000950845102 720793346 /nfs/dbraw/zinc/79/33/46/720793346.db2.gz ZYISCQZZBARDPF-UHFFFAOYSA-N 2 2 323.400 1.437 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721286 733484525 /nfs/dbraw/zinc/48/45/25/733484525.db2.gz DKBHEOBGNRGHRM-RDJZCZTQSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721286 733484526 /nfs/dbraw/zinc/48/45/26/733484526.db2.gz DKBHEOBGNRGHRM-RDJZCZTQSA-N 2 2 314.433 1.597 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021721999 733485211 /nfs/dbraw/zinc/48/52/11/733485211.db2.gz KERZHMHATRDINZ-GOEBONIOSA-N 2 2 300.406 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ZINC001027504643 738355285 /nfs/dbraw/zinc/35/52/85/738355285.db2.gz GBFBOPUCGBKTNP-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001027504643 738355288 /nfs/dbraw/zinc/35/52/88/738355288.db2.gz GBFBOPUCGBKTNP-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001027504643 738355293 /nfs/dbraw/zinc/35/52/93/738355293.db2.gz GBFBOPUCGBKTNP-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001027504643 738355295 /nfs/dbraw/zinc/35/52/95/738355295.db2.gz GBFBOPUCGBKTNP-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139487 739082407 /nfs/dbraw/zinc/08/24/07/739082407.db2.gz ORRTWCWIJYVECY-AWEZNQCLSA-N 2 2 318.421 1.651 20 30 DDEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001028139487 739082411 /nfs/dbraw/zinc/08/24/11/739082411.db2.gz ORRTWCWIJYVECY-AWEZNQCLSA-N 2 2 318.421 1.651 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035375940 751433257 /nfs/dbraw/zinc/43/32/57/751433257.db2.gz MTYZIPCSFATRFT-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035375940 751433263 /nfs/dbraw/zinc/43/32/63/751433263.db2.gz MTYZIPCSFATRFT-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035375940 751433265 /nfs/dbraw/zinc/43/32/65/751433265.db2.gz MTYZIPCSFATRFT-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035375940 751433268 /nfs/dbraw/zinc/43/32/68/751433268.db2.gz MTYZIPCSFATRFT-HRCADAONSA-N 2 2 309.454 1.110 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001035388097 751458047 /nfs/dbraw/zinc/45/80/47/751458047.db2.gz AXDVRVVADGOYET-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035388097 751458051 /nfs/dbraw/zinc/45/80/51/751458051.db2.gz AXDVRVVADGOYET-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035388097 751458056 /nfs/dbraw/zinc/45/80/56/751458056.db2.gz AXDVRVVADGOYET-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035388097 751458060 /nfs/dbraw/zinc/45/80/60/751458060.db2.gz AXDVRVVADGOYET-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035422946 751481971 /nfs/dbraw/zinc/48/19/71/751481971.db2.gz HHHASNVLAOICGO-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035422946 751481974 /nfs/dbraw/zinc/48/19/74/751481974.db2.gz HHHASNVLAOICGO-JKSUJKDBSA-N 2 2 309.454 1.110 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035422946 751481976 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302.422 1.699 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679153 742072519 /nfs/dbraw/zinc/07/25/19/742072519.db2.gz HPOUHMRBTDCCBU-OAGGEKHMSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001088679153 742072521 /nfs/dbraw/zinc/07/25/21/742072521.db2.gz HPOUHMRBTDCCBU-OAGGEKHMSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181286784 743137229 /nfs/dbraw/zinc/13/72/29/743137229.db2.gz LEOUZYMJTMRYEF-RHSMWYFYSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035734491 751828551 /nfs/dbraw/zinc/82/85/51/751828551.db2.gz IEQINVXGUFLFNH-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184533547 744055206 /nfs/dbraw/zinc/05/52/06/744055206.db2.gz GNYXKLBEPMHQSC-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184533547 744055208 /nfs/dbraw/zinc/05/52/08/744055208.db2.gz GNYXKLBEPMHQSC-GJZGRUSLSA-N 2 2 304.438 1.993 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184852181 744105125 /nfs/dbraw/zinc/10/51/25/744105125.db2.gz UEUXEXAXGIROHS-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992401701 744856496 /nfs/dbraw/zinc/85/64/96/744856496.db2.gz XNJGNLQFRBOFLG-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992401701 744856499 /nfs/dbraw/zinc/85/64/99/744856499.db2.gz XNJGNLQFRBOFLG-WBVHZDCISA-N 2 2 300.406 1.099 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198616 745256327 /nfs/dbraw/zinc/25/63/27/745256327.db2.gz IUHJGHDKMAACCJ-ZIAGYGMSSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198616 745256333 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2 323.400 1.437 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602134 746164217 /nfs/dbraw/zinc/16/42/17/746164217.db2.gz RQLJRTQOIUYGQI-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602134 746164219 /nfs/dbraw/zinc/16/42/19/746164219.db2.gz RQLJRTQOIUYGQI-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602134 746164221 /nfs/dbraw/zinc/16/42/21/746164221.db2.gz RQLJRTQOIUYGQI-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602134 746164223 /nfs/dbraw/zinc/16/42/23/746164223.db2.gz RQLJRTQOIUYGQI-HZPDHXFCSA-N 2 2 322.453 1.474 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994119347 746453382 /nfs/dbraw/zinc/45/33/82/746453382.db2.gz WASYNXUCDBIOFS-YOEHRIQHSA-N 2 2 323.400 1.483 20 30 DDEDLP 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C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131822089 768389485 /nfs/dbraw/zinc/38/94/85/768389485.db2.gz IWVQKFIIWFPXTI-HOTGVXAUSA-N 2 2 311.470 1.548 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131822089 768389491 /nfs/dbraw/zinc/38/94/91/768389491.db2.gz IWVQKFIIWFPXTI-HOTGVXAUSA-N 2 2 311.470 1.548 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096250083 768758335 /nfs/dbraw/zinc/75/83/35/768758335.db2.gz AUYLWLKTROAEEA-IKGGRYGDSA-N 2 2 321.384 1.236 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096250083 768758341 /nfs/dbraw/zinc/75/83/41/768758341.db2.gz AUYLWLKTROAEEA-IKGGRYGDSA-N 2 2 321.384 1.236 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132781719 769189672 /nfs/dbraw/zinc/18/96/72/769189672.db2.gz FIJKUYQFJKYFSZ-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@H]2C1 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20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847080 866337829 /nfs/dbraw/zinc/33/78/29/866337829.db2.gz GNRUWRIEBROPEZ-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847080 866337842 /nfs/dbraw/zinc/33/78/42/866337842.db2.gz GNRUWRIEBROPEZ-HOCLYGCPSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319847075 866339488 /nfs/dbraw/zinc/33/94/88/866339488.db2.gz GNRUWRIEBROPEZ-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319847075 866339503 /nfs/dbraw/zinc/33/95/03/866339503.db2.gz GNRUWRIEBROPEZ-GDBMZVCRSA-N 2 2 302.422 1.582 20 30 DDEDLP O=C(N1CCC(C#Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161150433 866410513 /nfs/dbraw/zinc/41/05/13/866410513.db2.gz IKLXZSICYOQMMM-QUCCMNQESA-N 2 2 323.440 1.228 20 30 DDEDLP CC#CC[N@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001319999874 866425750 /nfs/dbraw/zinc/42/57/50/866425750.db2.gz SOMKTYOGCDBBTP-MRXNPFEDSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[N@@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001319999874 866425751 /nfs/dbraw/zinc/42/57/51/866425751.db2.gz SOMKTYOGCDBBTP-MRXNPFEDSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001319999874 866425752 /nfs/dbraw/zinc/42/57/52/866425752.db2.gz SOMKTYOGCDBBTP-MRXNPFEDSA-N 2 2 317.437 1.204 20 30 DDEDLP CC#CC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001319999874 866425753 /nfs/dbraw/zinc/42/57/53/866425753.db2.gz SOMKTYOGCDBBTP-MRXNPFEDSA-N 2 2 317.437 1.204 20 30 DDEDLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001322003995 867929261 /nfs/dbraw/zinc/92/92/61/867929261.db2.gz JLWRCMKYOOORLV-DLBZAZTESA-N 2 2 324.428 1.980 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC001335457305 868311467 /nfs/dbraw/zinc/31/14/67/868311467.db2.gz KNAPXTFPYULPHQ-OAHLLOKOSA-N 2 2 308.447 1.313 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001165837410 869730100 /nfs/dbraw/zinc/73/01/00/869730100.db2.gz ULYVQEKPMCWYPQ-CQSZACIVSA-N 2 2 316.449 1.885 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001165837410 869730113 /nfs/dbraw/zinc/73/01/13/869730113.db2.gz ULYVQEKPMCWYPQ-CQSZACIVSA-N 2 2 316.449 1.885 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC001338504965 870021327 /nfs/dbraw/zinc/02/13/27/870021327.db2.gz MZFISXXRYQAIHI-GOSISDBHSA-N 2 2 316.445 1.730 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042447 870154737 /nfs/dbraw/zinc/15/47/37/870154737.db2.gz FMBREBMFRAYJHS-INIZCTEOSA-N 2 2 316.449 1.546 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317042447 870154743 /nfs/dbraw/zinc/15/47/43/870154743.db2.gz FMBREBMFRAYJHS-INIZCTEOSA-N 2 2 316.449 1.546 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317301616 870605422 /nfs/dbraw/zinc/60/54/22/870605422.db2.gz WJVUWKJHCVKYEV-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203804499 870767586 /nfs/dbraw/zinc/76/75/86/870767586.db2.gz UHTCGECFWCYDLB-HUUCEWRRSA-N 2 2 302.422 1.866 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761357 871477224 /nfs/dbraw/zinc/47/72/24/871477224.db2.gz KNIPMRHCXVDEIB-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001317761357 871477228 /nfs/dbraw/zinc/47/72/28/871477228.db2.gz KNIPMRHCXVDEIB-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553483 871625643 /nfs/dbraw/zinc/62/56/43/871625643.db2.gz ZDXHOJJSIUYFBR-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555909 871628046 /nfs/dbraw/zinc/62/80/46/871628046.db2.gz GYZFNVYKFPMPEF-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001381752553 882597296 /nfs/dbraw/zinc/59/72/96/882597296.db2.gz WSDZEXIRIRILFA-KGLIPLIRSA-N 2 2 317.861 1.334 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001381752553 882597304 /nfs/dbraw/zinc/59/73/04/882597304.db2.gz WSDZEXIRIRILFA-KGLIPLIRSA-N 2 2 317.861 1.334 20 30 DDEDLP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001318894233 872330897 /nfs/dbraw/zinc/33/08/97/872330897.db2.gz DLTGMZBLBWLPFK-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450267 874151241 /nfs/dbraw/zinc/15/12/41/874151241.db2.gz CIYSPESAAQZXMT-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802998 877061419 /nfs/dbraw/zinc/06/14/19/877061419.db2.gz MNDWKBNYPZCMFA-OIISXLGYSA-N 2 2 321.465 1.110 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001379694064 877759072 /nfs/dbraw/zinc/75/90/72/877759072.db2.gz NMWYIVKSOPNGPZ-STQMWFEESA-N 2 2 310.829 1.888 20 30 DDEDLP COc1ccc(C#N)cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218979632 877848692 /nfs/dbraw/zinc/84/86/92/877848692.db2.gz RVSSYXWZCIKUHK-AWEZNQCLSA-N 2 2 310.357 1.778 20 30 DDEDLP CCc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc(CC)c1C#N ZINC001219112745 877929635 /nfs/dbraw/zinc/92/96/35/877929635.db2.gz UAECOUAIEGIPMY-MRXNPFEDSA-N 2 2 311.389 1.915 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001380313737 879307239 /nfs/dbraw/zinc/30/72/39/879307239.db2.gz NZQNMSBTBJBGDA-UHFFFAOYSA-N 2 2 310.829 1.915 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001277609895 886083196 /nfs/dbraw/zinc/08/31/96/886083196.db2.gz ITAMPVBGEVCNSN-TUYSUELWSA-N 2 2 303.450 1.583 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001277609895 886083208 /nfs/dbraw/zinc/08/32/08/886083208.db2.gz ITAMPVBGEVCNSN-TUYSUELWSA-N 2 2 303.450 1.583 20 30 DDEDLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC001232145803 886120926 /nfs/dbraw/zinc/12/09/26/886120926.db2.gz BBHLBCWBJJNNRU-UHFFFAOYSA-N 2 2 304.413 1.919 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001277681225 886470912 /nfs/dbraw/zinc/47/09/12/886470912.db2.gz AHBHTFSNVUSERL-JKSUJKDBSA-N 2 2 323.481 1.452 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001365839431 891690435 /nfs/dbraw/zinc/69/04/35/891690435.db2.gz DJYBDMWOPNJMLM-RAIGVLPGSA-N 2 2 310.829 1.825 20 30 DDEDLP COc1cccc(C2([NH2+][C@@H]3CCN[C@H](C#N)C3)CC[NH2+]CC2)c1 ZINC001246413963 892612559 /nfs/dbraw/zinc/61/25/59/892612559.db2.gz HLDVIXSNXBOHIT-CVEARBPZSA-N 2 2 314.433 1.508 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549727 895260553 /nfs/dbraw/zinc/26/05/53/895260553.db2.gz HMNOJXDWGAMHTH-ZACQAIPSSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549727 895260559 /nfs/dbraw/zinc/26/05/59/895260559.db2.gz HMNOJXDWGAMHTH-ZACQAIPSSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549727 895260564 /nfs/dbraw/zinc/26/05/64/895260564.db2.gz HMNOJXDWGAMHTH-ZACQAIPSSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001252549727 895260573 /nfs/dbraw/zinc/26/05/73/895260573.db2.gz HMNOJXDWGAMHTH-ZACQAIPSSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001253606528 895925812 /nfs/dbraw/zinc/92/58/12/895925812.db2.gz JBBOSSSBMXVOSA-QGZVFWFLSA-N 2 2 318.417 1.574 20 30 DDEDLP C=CCC[NH+]1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278867798 896942320 /nfs/dbraw/zinc/94/23/20/896942320.db2.gz CLMNYJWOQSVQJD-AWEZNQCLSA-N 2 2 320.437 1.136 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001367718174 897563987 /nfs/dbraw/zinc/56/39/87/897563987.db2.gz NUILFDJDQZSNLV-GFCCVEGCSA-N 2 2 315.352 1.188 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397413 901970151 /nfs/dbraw/zinc/97/01/51/901970151.db2.gz YOJVAUCTSKSWML-GJZGRUSLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397413 901970159 /nfs/dbraw/zinc/97/01/59/901970159.db2.gz YOJVAUCTSKSWML-GJZGRUSLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397413 901970172 /nfs/dbraw/zinc/97/01/72/901970172.db2.gz YOJVAUCTSKSWML-GJZGRUSLSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397413 901970178 /nfs/dbraw/zinc/97/01/78/901970178.db2.gz YOJVAUCTSKSWML-GJZGRUSLSA-N 2 2 304.438 1.945 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001265740700 902357550 /nfs/dbraw/zinc/35/75/50/902357550.db2.gz MNPGFCVDAQAZHN-WLYUNCDWSA-N 2 2 302.422 1.629 20 30 DDEDLP C#CCC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001265740700 902357563 /nfs/dbraw/zinc/35/75/63/902357563.db2.gz MNPGFCVDAQAZHN-WLYUNCDWSA-N 2 2 302.422 1.629 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001265912751 902584175 /nfs/dbraw/zinc/58/41/75/902584175.db2.gz MDKFXHTZIWHCST-JKSUJKDBSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279402922 903250297 /nfs/dbraw/zinc/25/02/97/903250297.db2.gz FOZMCBLRKTXYTQ-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279402922 903250303 /nfs/dbraw/zinc/25/03/03/903250303.db2.gz FOZMCBLRKTXYTQ-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279402922 903250316 /nfs/dbraw/zinc/25/03/16/903250316.db2.gz FOZMCBLRKTXYTQ-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279402922 903250329 /nfs/dbraw/zinc/25/03/29/903250329.db2.gz FOZMCBLRKTXYTQ-HRCADAONSA-N 2 2 316.449 1.945 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611473 904940007 /nfs/dbraw/zinc/94/00/07/904940007.db2.gz RXFGBOBVJURGBP-ROUUACIJSA-N 2 2 313.445 1.845 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001316611473 904940016 /nfs/dbraw/zinc/94/00/16/904940016.db2.gz RXFGBOBVJURGBP-ROUUACIJSA-N 2 2 313.445 1.845 20 30 DDEDLP N#Cc1cccc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001392799768 905289679 /nfs/dbraw/zinc/28/96/79/905289679.db2.gz KVIISOIODKFRKR-KRWDZBQOSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001281940666 905331753 /nfs/dbraw/zinc/33/17/53/905331753.db2.gz VCAVXOOEDOEYFB-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001281940666 905331771 /nfs/dbraw/zinc/33/17/71/905331771.db2.gz VCAVXOOEDOEYFB-MRXNPFEDSA-N 2 2 314.433 1.318 20 30 DDEDLP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283205490 906883735 /nfs/dbraw/zinc/88/37/35/906883735.db2.gz XPWGSHSZKSHIFU-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373679999 910598111 /nfs/dbraw/zinc/59/81/11/910598111.db2.gz CUPQZZMIINHXTL-UONOGXRCSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373679999 910598125 /nfs/dbraw/zinc/59/81/25/910598125.db2.gz CUPQZZMIINHXTL-UONOGXRCSA-N 2 2 301.862 1.858 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001376173199 917872861 /nfs/dbraw/zinc/87/28/61/917872861.db2.gz NMJALYSYCGKIJE-AWEZNQCLSA-N 2 2 322.840 1.996 20 30 DDEDLP C[NH+]1CCC(CCNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185377 530048767 /nfs/dbraw/zinc/04/87/67/530048767.db2.gz JCNAQVDISMACHL-AWEZNQCLSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC(CC[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185377 530048768 /nfs/dbraw/zinc/04/87/68/530048768.db2.gz JCNAQVDISMACHL-AWEZNQCLSA-N 2 2 305.426 1.433 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000623757904 366037753 /nfs/dbraw/zinc/03/77/53/366037753.db2.gz HVHXXIZYQCXANZ-OAHLLOKOSA-N 2 2 306.406 1.286 20 30 DDEDLP C=CCc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000623757904 366037755 /nfs/dbraw/zinc/03/77/55/366037755.db2.gz HVHXXIZYQCXANZ-OAHLLOKOSA-N 2 2 306.406 1.286 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2CC#N)CC1 ZINC000601280464 358476205 /nfs/dbraw/zinc/47/62/05/358476205.db2.gz OKMXJYFTQFJFAF-UHFFFAOYSA-N 2 2 314.433 1.508 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000081645315 353685984 /nfs/dbraw/zinc/68/59/84/353685984.db2.gz GHVJYBSMJAKXMA-OAHLLOKOSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000081645315 353685987 /nfs/dbraw/zinc/68/59/87/353685987.db2.gz GHVJYBSMJAKXMA-OAHLLOKOSA-N 2 2 317.458 1.662 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000081671591 353687468 /nfs/dbraw/zinc/68/74/68/353687468.db2.gz DJELBVOIVAVGCZ-OAHLLOKOSA-N 2 2 315.417 1.162 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000081671591 353687471 /nfs/dbraw/zinc/68/74/71/353687471.db2.gz DJELBVOIVAVGCZ-OAHLLOKOSA-N 2 2 315.417 1.162 20 30 DDEDLP C=CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579215850 354717028 /nfs/dbraw/zinc/71/70/28/354717028.db2.gz JVGXFBIGMZHOAG-OAHLLOKOSA-N 2 2 318.421 1.036 20 30 DDEDLP C=CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579215850 354717030 /nfs/dbraw/zinc/71/70/30/354717030.db2.gz JVGXFBIGMZHOAG-OAHLLOKOSA-N 2 2 318.421 1.036 20 30 DDEDLP C=CCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579571837 354720365 /nfs/dbraw/zinc/72/03/65/354720365.db2.gz CXZIFEKDXBXJLR-SJORKVTESA-N 2 2 316.449 1.978 20 30 DDEDLP C=CCC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579571837 354720369 /nfs/dbraw/zinc/72/03/69/354720369.db2.gz CXZIFEKDXBXJLR-SJORKVTESA-N 2 2 316.449 1.978 20 30 DDEDLP CN(c1ncc(C#N)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591147038 355254984 /nfs/dbraw/zinc/25/49/84/355254984.db2.gz GUKDVUXBVPHZLM-HNNXBMFYSA-N 2 2 317.412 1.697 20 30 DDEDLP CN(c1ncc(C#N)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591147038 355254987 /nfs/dbraw/zinc/25/49/87/355254987.db2.gz GUKDVUXBVPHZLM-HNNXBMFYSA-N 2 2 317.412 1.697 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505402 356523234 /nfs/dbraw/zinc/52/32/34/356523234.db2.gz SSYMAVPVMYDIGQ-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505402 356523235 /nfs/dbraw/zinc/52/32/35/356523235.db2.gz SSYMAVPVMYDIGQ-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505402 356523237 /nfs/dbraw/zinc/52/32/37/356523237.db2.gz SSYMAVPVMYDIGQ-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505402 356523238 /nfs/dbraw/zinc/52/32/38/356523238.db2.gz SSYMAVPVMYDIGQ-ZBFHGGJFSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C#N)cc1 ZINC000596127230 356783618 /nfs/dbraw/zinc/78/36/18/356783618.db2.gz VXJPXWHVKBOZAS-UHFFFAOYSA-N 2 2 317.437 1.241 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C#N)cc1 ZINC000596127230 356783621 /nfs/dbraw/zinc/78/36/21/356783621.db2.gz VXJPXWHVKBOZAS-UHFFFAOYSA-N 2 2 317.437 1.241 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)cc1C#N ZINC000596782989 356976502 /nfs/dbraw/zinc/97/65/02/356976502.db2.gz LDMTWILGEWMEGO-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)cc1C#N ZINC000596782989 356976507 /nfs/dbraw/zinc/97/65/07/356976507.db2.gz LDMTWILGEWMEGO-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000596979789 357033001 /nfs/dbraw/zinc/03/30/01/357033001.db2.gz IFWXUUIGWGYGJR-UHFFFAOYSA-N 2 2 309.417 1.918 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1(C#N)CCCCC1 ZINC000597993985 357409900 /nfs/dbraw/zinc/40/99/00/357409900.db2.gz WRBCCPZRAPIMTK-UHFFFAOYSA-N 2 2 308.470 1.850 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(C#N)CCCCC1 ZINC000597993985 357409905 /nfs/dbraw/zinc/40/99/05/357409905.db2.gz WRBCCPZRAPIMTK-UHFFFAOYSA-N 2 2 308.470 1.850 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287643 357876284 /nfs/dbraw/zinc/87/62/84/357876284.db2.gz MPKLKEBZOXCDSA-JKSUJKDBSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCOCC1 ZINC000599287643 357876288 /nfs/dbraw/zinc/87/62/88/357876288.db2.gz MPKLKEBZOXCDSA-JKSUJKDBSA-N 2 2 318.421 1.591 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)CCOCC1 ZINC000600722429 358295916 /nfs/dbraw/zinc/29/59/16/358295916.db2.gz FNCLNWUBFZLEOH-OAHLLOKOSA-N 2 2 318.421 1.545 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609672113 360343159 /nfs/dbraw/zinc/34/31/59/360343159.db2.gz QGMZKOUDQONARN-JKSUJKDBSA-N 2 2 309.373 1.618 20 30 DDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609672113 360343162 /nfs/dbraw/zinc/34/31/62/360343162.db2.gz QGMZKOUDQONARN-JKSUJKDBSA-N 2 2 309.373 1.618 20 30 DDEDLP C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C)CC1 ZINC000329993083 223060212 /nfs/dbraw/zinc/06/02/12/223060212.db2.gz LAIMMHXFDGHOKB-CYBMUJFWSA-N 2 2 301.394 1.427 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccnc(C#N)c1 ZINC000610995493 360594720 /nfs/dbraw/zinc/59/47/20/360594720.db2.gz IQRZHQCLVKFKGR-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccnc(C#N)c1 ZINC000610995493 360594728 /nfs/dbraw/zinc/59/47/28/360594728.db2.gz IQRZHQCLVKFKGR-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000123291198 407325200 /nfs/dbraw/zinc/32/52/00/407325200.db2.gz YUWUBJUGPRGZGO-GOSISDBHSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000123291198 407325202 /nfs/dbraw/zinc/32/52/02/407325202.db2.gz YUWUBJUGPRGZGO-GOSISDBHSA-N 2 2 316.424 1.909 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000267160775 407773414 /nfs/dbraw/zinc/77/34/14/407773414.db2.gz FVWZEOMZCCPKIQ-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000267160775 407773419 /nfs/dbraw/zinc/77/34/19/407773419.db2.gz FVWZEOMZCCPKIQ-OAHLLOKOSA-N 2 2 320.462 1.652 20 30 DDEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036001 407948933 /nfs/dbraw/zinc/94/89/33/407948933.db2.gz UJIWZEZNDHNIOW-DLBZAZTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000293809815 409185612 /nfs/dbraw/zinc/18/56/12/409185612.db2.gz ODILNNXBIBDZSD-MRXNPFEDSA-N 2 2 324.428 1.949 20 30 DDEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000293809815 409185614 /nfs/dbraw/zinc/18/56/14/409185614.db2.gz ODILNNXBIBDZSD-MRXNPFEDSA-N 2 2 324.428 1.949 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000295086005 409316208 /nfs/dbraw/zinc/31/62/08/409316208.db2.gz UJMFXBVMLJGHRA-AWEZNQCLSA-N 2 2 323.462 1.200 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000295086005 409316210 /nfs/dbraw/zinc/31/62/10/409316210.db2.gz UJMFXBVMLJGHRA-AWEZNQCLSA-N 2 2 323.462 1.200 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CCC2 ZINC000328644179 409946104 /nfs/dbraw/zinc/94/61/04/409946104.db2.gz FVSYUYROXVUBQG-KBPBESRZSA-N 2 2 305.426 1.619 20 30 DDEDLP CC(C)C[NH+]1CCC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190357 410579473 /nfs/dbraw/zinc/57/94/73/410579473.db2.gz WBWBRADZAUEHAC-HNNXBMFYSA-N 2 2 319.453 1.822 20 30 DDEDLP CC(C)C[NH+]1CCC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330190357 410579479 /nfs/dbraw/zinc/57/94/79/410579479.db2.gz WBWBRADZAUEHAC-HNNXBMFYSA-N 2 2 319.453 1.822 20 30 DDEDLP CN(C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485927 418480613 /nfs/dbraw/zinc/48/06/13/418480613.db2.gz XATYKBVAKUNJLD-KRWDZBQOSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485927 418480616 /nfs/dbraw/zinc/48/06/16/418480616.db2.gz XATYKBVAKUNJLD-KRWDZBQOSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485927 418480617 /nfs/dbraw/zinc/48/06/17/418480617.db2.gz XATYKBVAKUNJLD-KRWDZBQOSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485927 418480619 /nfs/dbraw/zinc/48/06/19/418480619.db2.gz XATYKBVAKUNJLD-KRWDZBQOSA-N 2 2 318.465 1.699 20 30 DDEDLP C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850731 418526806 /nfs/dbraw/zinc/52/68/06/418526806.db2.gz ADYOWUNRBLCIFG-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000366850731 418526810 /nfs/dbraw/zinc/52/68/10/418526810.db2.gz ADYOWUNRBLCIFG-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000374745094 418558843 /nfs/dbraw/zinc/55/88/43/418558843.db2.gz VSQLMHPMICSIRL-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C[N@H+]1CCN(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000374745094 418558847 /nfs/dbraw/zinc/55/88/47/418558847.db2.gz VSQLMHPMICSIRL-UHFFFAOYSA-N 2 2 312.417 1.297 20 30 DDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117210 418561289 /nfs/dbraw/zinc/56/12/89/418561289.db2.gz MJNUNDUBGUWLDK-HNNXBMFYSA-N 2 2 316.449 1.669 20 30 DDEDLP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262018493 222271180 /nfs/dbraw/zinc/27/11/80/222271180.db2.gz YHLCJQAEQPDOLG-DZKIICNBSA-N 2 2 307.442 1.502 20 30 DDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262481536 222283097 /nfs/dbraw/zinc/28/30/97/222283097.db2.gz RPPPYYMVPZQNJS-HNNXBMFYSA-N 3 2 304.442 1.019 20 30 DDEDLP C[NH+]=C(NC1CCC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262761134 222292259 /nfs/dbraw/zinc/29/22/59/222292259.db2.gz DJBQJGIUXFIOOO-UHFFFAOYSA-N 2 2 316.449 1.811 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000264076878 222314590 /nfs/dbraw/zinc/31/45/90/222314590.db2.gz SYXORSDCDVOKQV-KBPBESRZSA-N 2 2 322.453 1.832 20 30 DDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000361458620 418656270 /nfs/dbraw/zinc/65/62/70/418656270.db2.gz HTZAVKSIJDEWRN-DLBZAZTESA-N 2 2 308.470 1.048 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000361458623 418656801 /nfs/dbraw/zinc/65/68/01/418656801.db2.gz HTZAVKSIJDEWRN-SJORKVTESA-N 2 2 308.470 1.048 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CCC(C)C)CC1 ZINC000362478505 418755015 /nfs/dbraw/zinc/75/50/15/418755015.db2.gz FJOMCBRMEQEZPF-UHFFFAOYSA-N 2 2 308.470 1.849 20 30 DDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CCC(C)C)CC1 ZINC000362478505 418755018 /nfs/dbraw/zinc/75/50/18/418755018.db2.gz FJOMCBRMEQEZPF-UHFFFAOYSA-N 2 2 308.470 1.849 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000363373420 418764866 /nfs/dbraw/zinc/76/48/66/418764866.db2.gz PFJASUAPNRUGCQ-UHFFFAOYSA-N 2 2 323.400 1.859 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000424131615 228231718 /nfs/dbraw/zinc/23/17/18/228231718.db2.gz JJZRJJIDLYZHFD-OAHLLOKOSA-N 2 2 315.421 1.709 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000424141752 228234430 /nfs/dbraw/zinc/23/44/30/228234430.db2.gz XHHLZECZASWDFT-AWEZNQCLSA-N 2 2 301.394 1.319 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000491210768 421195458 /nfs/dbraw/zinc/19/54/58/421195458.db2.gz YPKAOMFOEGZHJA-HZPDHXFCSA-N 2 2 303.450 1.274 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000491210768 421195459 /nfs/dbraw/zinc/19/54/59/421195459.db2.gz YPKAOMFOEGZHJA-HZPDHXFCSA-N 2 2 303.450 1.274 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568254604 421619043 /nfs/dbraw/zinc/61/90/43/421619043.db2.gz FDADPRBIMINKKU-CVEARBPZSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568254604 421619046 /nfs/dbraw/zinc/61/90/46/421619046.db2.gz FDADPRBIMINKKU-CVEARBPZSA-N 2 2 303.406 1.176 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566123377 421603131 /nfs/dbraw/zinc/60/31/31/421603131.db2.gz IRNNWGXSCVGPKR-JJTUDDRGSA-N 2 2 312.454 1.027 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566123377 421603133 /nfs/dbraw/zinc/60/31/33/421603133.db2.gz IRNNWGXSCVGPKR-JJTUDDRGSA-N 2 2 312.454 1.027 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000522146937 421817462 /nfs/dbraw/zinc/81/74/62/421817462.db2.gz FWNIFDQDCIXZNR-QGZVFWFLSA-N 2 2 312.417 1.154 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000522146937 421817465 /nfs/dbraw/zinc/81/74/65/421817465.db2.gz FWNIFDQDCIXZNR-QGZVFWFLSA-N 2 2 312.417 1.154 20 30 DDEDLP CC[NH+](CC)CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574483667 422117932 /nfs/dbraw/zinc/11/79/32/422117932.db2.gz AEJVQTOUMJORJC-UHFFFAOYSA-N 2 2 324.450 1.048 20 30 DDEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000576629436 422375446 /nfs/dbraw/zinc/37/54/46/422375446.db2.gz CXLLURHTKTXFFD-OIISXLGYSA-N 2 2 304.438 1.787 20 30 DDEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000575796627 422326348 /nfs/dbraw/zinc/32/63/48/422326348.db2.gz FRDKSARAYDIECO-RKVPGOIHSA-N 2 2 317.433 1.160 20 30 DDEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000661754999 424151759 /nfs/dbraw/zinc/15/17/59/424151759.db2.gz FMUKAIGJIHKVNT-UHFFFAOYSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000661754999 424151772 /nfs/dbraw/zinc/15/17/72/424151772.db2.gz FMUKAIGJIHKVNT-UHFFFAOYSA-N 2 2 311.470 1.500 20 30 DDEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]1 ZINC000662754587 424758155 /nfs/dbraw/zinc/75/81/55/424758155.db2.gz RMNSOZXYRXMHBR-GOSISDBHSA-N 2 2 314.433 1.424 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000342610455 268250208 /nfs/dbraw/zinc/25/02/08/268250208.db2.gz WWNTUNFGXHNPAV-UHFFFAOYSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1ccnc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000351351184 268294060 /nfs/dbraw/zinc/29/40/60/268294060.db2.gz NMSWAFPNOAJCPJ-UHFFFAOYSA-N 2 2 313.449 1.951 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329744901 276244148 /nfs/dbraw/zinc/24/41/48/276244148.db2.gz YCQSNJMLNCIXJP-RWMBFGLXSA-N 2 2 305.426 1.596 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329744901 276244151 /nfs/dbraw/zinc/24/41/51/276244151.db2.gz YCQSNJMLNCIXJP-RWMBFGLXSA-N 2 2 305.426 1.596 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329744901 276244152 /nfs/dbraw/zinc/24/41/52/276244152.db2.gz YCQSNJMLNCIXJP-RWMBFGLXSA-N 2 2 305.426 1.596 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329744901 276244153 /nfs/dbraw/zinc/24/41/53/276244153.db2.gz YCQSNJMLNCIXJP-RWMBFGLXSA-N 2 2 305.426 1.596 20 30 DDEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857816 276307654 /nfs/dbraw/zinc/30/76/54/276307654.db2.gz SQEYUUNNNCBTBL-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857816 276307656 /nfs/dbraw/zinc/30/76/56/276307656.db2.gz SQEYUUNNNCBTBL-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857816 276307657 /nfs/dbraw/zinc/30/76/57/276307657.db2.gz SQEYUUNNNCBTBL-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072857816 276307659 /nfs/dbraw/zinc/30/76/59/276307659.db2.gz SQEYUUNNNCBTBL-MRXNPFEDSA-N 2 2 320.481 1.945 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330179767 279268255 /nfs/dbraw/zinc/26/82/55/279268255.db2.gz FMPSQMGIFDQJGL-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330179767 279268256 /nfs/dbraw/zinc/26/82/56/279268256.db2.gz FMPSQMGIFDQJGL-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330179767 279268257 /nfs/dbraw/zinc/26/82/57/279268257.db2.gz FMPSQMGIFDQJGL-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330179767 279268258 /nfs/dbraw/zinc/26/82/58/279268258.db2.gz FMPSQMGIFDQJGL-ZIAGYGMSSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000538407358 303384802 /nfs/dbraw/zinc/38/48/02/303384802.db2.gz WXSBHDDXUPQGJV-CQSZACIVSA-N 2 2 314.433 1.589 20 30 DDEDLP CN(C)c1nc(N2CC[NH+](CCC(C)(C)C#N)CC2)cc[nH+]1 ZINC000336856189 333429951 /nfs/dbraw/zinc/42/99/51/333429951.db2.gz KXXXOIVPATVPMI-UHFFFAOYSA-N 2 2 302.426 1.604 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000365735194 333453695 /nfs/dbraw/zinc/45/36/95/333453695.db2.gz KHMXPWSHNRGNCM-NVXWUHKLSA-N 2 2 318.465 1.745 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893269 336376319 /nfs/dbraw/zinc/37/63/19/336376319.db2.gz NRXFAHICTRHNDI-ZBFHGGJFSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893269 336376320 /nfs/dbraw/zinc/37/63/20/336376320.db2.gz NRXFAHICTRHNDI-ZBFHGGJFSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000525893269 336376321 /nfs/dbraw/zinc/37/63/21/336376321.db2.gz NRXFAHICTRHNDI-ZBFHGGJFSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000525893269 336376322 /nfs/dbraw/zinc/37/63/22/336376322.db2.gz NRXFAHICTRHNDI-ZBFHGGJFSA-N 2 2 316.449 1.498 20 30 DDEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000131447542 341089060 /nfs/dbraw/zinc/08/90/60/341089060.db2.gz NYIJPPRLKQNSHP-KRWDZBQOSA-N 2 2 305.422 1.771 20 30 DDEDLP CC[NH+]1CCC([N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000372372164 483934247 /nfs/dbraw/zinc/93/42/47/483934247.db2.gz CCPOYLQIRNXCBG-GOSISDBHSA-N 2 2 320.481 1.990 20 30 DDEDLP CC[NH+]1CCC([N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)CC1 ZINC000372372164 483934252 /nfs/dbraw/zinc/93/42/52/483934252.db2.gz CCPOYLQIRNXCBG-GOSISDBHSA-N 2 2 320.481 1.990 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000681517978 486440003 /nfs/dbraw/zinc/44/00/03/486440003.db2.gz NQHVGAVEUHVVHR-CYBMUJFWSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000681517978 486440005 /nfs/dbraw/zinc/44/00/05/486440005.db2.gz NQHVGAVEUHVVHR-CYBMUJFWSA-N 2 2 302.422 1.590 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331537038 528850136 /nfs/dbraw/zinc/85/01/36/528850136.db2.gz DSHLCKZLAHBMNB-SJORKVTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331537038 528850142 /nfs/dbraw/zinc/85/01/42/528850142.db2.gz DSHLCKZLAHBMNB-SJORKVTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331537038 528850146 /nfs/dbraw/zinc/85/01/46/528850146.db2.gz DSHLCKZLAHBMNB-SJORKVTESA-N 2 2 306.454 1.459 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331537038 528850150 /nfs/dbraw/zinc/85/01/50/528850150.db2.gz DSHLCKZLAHBMNB-SJORKVTESA-N 2 2 306.454 1.459 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972303345 695211826 /nfs/dbraw/zinc/21/18/26/695211826.db2.gz JZBNKUVTFOSJKS-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972303345 695211827 /nfs/dbraw/zinc/21/18/27/695211827.db2.gz JZBNKUVTFOSJKS-UONOGXRCSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972363340 695229673 /nfs/dbraw/zinc/22/96/73/695229673.db2.gz XPULJOWXFJBFSL-QGZVFWFLSA-N 2 2 318.421 1.222 20 30 DDEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972363340 695229674 /nfs/dbraw/zinc/22/96/74/695229674.db2.gz XPULJOWXFJBFSL-QGZVFWFLSA-N 2 2 318.421 1.222 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746028 695724826 /nfs/dbraw/zinc/72/48/26/695724826.db2.gz XYHYSIWPSLUFAM-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000974746028 695724827 /nfs/dbraw/zinc/72/48/27/695724827.db2.gz XYHYSIWPSLUFAM-GJZGRUSLSA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978159970 696334165 /nfs/dbraw/zinc/33/41/65/696334165.db2.gz NGILLJAIQLSKSE-OSYLJGHBSA-N 2 2 322.412 1.574 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC000978159970 696334167 /nfs/dbraw/zinc/33/41/67/696334167.db2.gz NGILLJAIQLSKSE-OSYLJGHBSA-N 2 2 322.412 1.574 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981630208 696849898 /nfs/dbraw/zinc/84/98/98/696849898.db2.gz ZWAPHDXPKRUDEC-UHFFFAOYSA-N 2 2 302.422 1.482 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981630208 696849900 /nfs/dbraw/zinc/84/99/00/696849900.db2.gz ZWAPHDXPKRUDEC-UHFFFAOYSA-N 2 2 302.422 1.482 20 30 DDEDLP C=C(C)CC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668701 696866741 /nfs/dbraw/zinc/86/67/41/696866741.db2.gz QRNGNWBXTQHRSO-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668701 696866745 /nfs/dbraw/zinc/86/67/45/696866745.db2.gz QRNGNWBXTQHRSO-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC000981365723 697076502 /nfs/dbraw/zinc/07/65/02/697076502.db2.gz WZVSNCCVJNUPQK-KRWDZBQOSA-N 2 2 303.450 1.585 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC000981365723 697076503 /nfs/dbraw/zinc/07/65/03/697076503.db2.gz WZVSNCCVJNUPQK-KRWDZBQOSA-N 2 2 303.450 1.585 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC=C(C)C)CC1 ZINC000981365723 697076508 /nfs/dbraw/zinc/07/65/08/697076508.db2.gz WZVSNCCVJNUPQK-KRWDZBQOSA-N 2 2 303.450 1.585 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500025 697520945 /nfs/dbraw/zinc/52/09/45/697520945.db2.gz GDAQMMJCNYILFX-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000985500025 697520947 /nfs/dbraw/zinc/52/09/47/697520947.db2.gz GDAQMMJCNYILFX-CQSZACIVSA-N 2 2 300.406 1.002 20 30 DDEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602222 698161014 /nfs/dbraw/zinc/16/10/14/698161014.db2.gz AMZMMSXYAGDHJT-WMLDXEAASA-N 2 2 323.400 1.534 20 30 DDEDLP CCC(CC)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCOCC1 ZINC000303784047 698606877 /nfs/dbraw/zinc/60/68/77/698606877.db2.gz OYCVUIGMWPILJR-INIZCTEOSA-N 2 2 310.486 1.828 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991390705 699312343 /nfs/dbraw/zinc/31/23/43/699312343.db2.gz VBULXVXWGCXEFG-WMZOPIPTSA-N 2 2 308.385 1.923 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC000991390705 699312347 /nfs/dbraw/zinc/31/23/47/699312347.db2.gz VBULXVXWGCXEFG-WMZOPIPTSA-N 2 2 308.385 1.923 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000730106050 699501785 /nfs/dbraw/zinc/50/17/85/699501785.db2.gz WALYTNHUBXZKBK-ZWKOTPCHSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000730106050 699501786 /nfs/dbraw/zinc/50/17/86/699501786.db2.gz WALYTNHUBXZKBK-ZWKOTPCHSA-N 2 2 319.493 1.957 20 30 DDEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866260274 706660421 /nfs/dbraw/zinc/66/04/21/706660421.db2.gz KDPMZKZPHZMQRI-KGLIPLIRSA-N 2 2 302.422 1.550 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1CC#N ZINC000869243783 702530796 /nfs/dbraw/zinc/53/07/96/702530796.db2.gz TXSKSEPUTNTIGO-UHFFFAOYSA-N 2 2 308.451 1.427 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1CC#N ZINC000869243783 702530798 /nfs/dbraw/zinc/53/07/98/702530798.db2.gz TXSKSEPUTNTIGO-UHFFFAOYSA-N 2 2 308.451 1.427 20 30 DDEDLP C#C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000872140794 707298566 /nfs/dbraw/zinc/29/85/66/707298566.db2.gz YPXJXDPUXMTCGB-IYARVYRRSA-N 2 2 319.493 1.565 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000883131879 707936118 /nfs/dbraw/zinc/93/61/18/707936118.db2.gz XHFQXFVXMWXWAL-UHFFFAOYSA-N 2 2 309.435 1.103 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000883131879 707936122 /nfs/dbraw/zinc/93/61/22/707936122.db2.gz XHFQXFVXMWXWAL-UHFFFAOYSA-N 2 2 309.435 1.103 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132934 708966847 /nfs/dbraw/zinc/96/68/47/708966847.db2.gz QHNACFKGSLGBJF-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132934 708966849 /nfs/dbraw/zinc/96/68/49/708966849.db2.gz QHNACFKGSLGBJF-HNNXBMFYSA-N 2 2 315.421 1.354 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000900964396 709851885 /nfs/dbraw/zinc/85/18/85/709851885.db2.gz HIAHYYWSFAZHAA-UHFFFAOYSA-N 2 2 317.433 1.544 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903805681 711285652 /nfs/dbraw/zinc/28/56/52/711285652.db2.gz RNFGSAJPQUESDR-JFIYKMOQSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903805681 711285657 /nfs/dbraw/zinc/28/56/57/711285657.db2.gz RNFGSAJPQUESDR-JFIYKMOQSA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392259 714339446 /nfs/dbraw/zinc/33/94/46/714339446.db2.gz JKEOIQKXOIQOKF-BFHRDPOASA-N 2 2 315.417 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923392259 714339449 /nfs/dbraw/zinc/33/94/49/714339449.db2.gz JKEOIQKXOIQOKF-BFHRDPOASA-N 2 2 315.417 1.501 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000964091754 717998303 /nfs/dbraw/zinc/99/83/03/717998303.db2.gz RHPUIPUMYCAYAE-RWQKBRBCSA-N 2 2 314.433 1.649 20 30 DDEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000925080724 714743684 /nfs/dbraw/zinc/74/36/84/714743684.db2.gz OKKCEBRJDULDRY-HZPDHXFCSA-N 2 2 308.470 1.311 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000957422176 715896131 /nfs/dbraw/zinc/89/61/31/715896131.db2.gz MIUKSIVAESGLDN-UHFFFAOYSA-N 2 2 313.445 1.918 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473389 719517938 /nfs/dbraw/zinc/51/79/38/719517938.db2.gz FKOFALVATBIBFI-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473389 719517940 /nfs/dbraw/zinc/51/79/40/719517940.db2.gz FKOFALVATBIBFI-INIZCTEOSA-N 2 2 316.449 1.873 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477757 719608000 /nfs/dbraw/zinc/60/80/00/719608000.db2.gz WGJPAAYVMGQUTK-PBHICJAKSA-N 2 2 323.400 1.341 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000968477757 719608005 /nfs/dbraw/zinc/60/80/05/719608005.db2.gz WGJPAAYVMGQUTK-PBHICJAKSA-N 2 2 323.400 1.341 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000949460456 720103200 /nfs/dbraw/zinc/10/32/00/720103200.db2.gz OTIRFGMCDGQRHQ-UHFFFAOYSA-N 2 2 301.434 1.735 20 30 DDEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996793 720592075 /nfs/dbraw/zinc/59/20/75/720592075.db2.gz KCPIYDKLQMHJSP-UONOGXRCSA-N 2 2 302.422 1.458 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC000970103894 720627599 /nfs/dbraw/zinc/62/75/99/720627599.db2.gz UZRWYGWITWGTKM-LLVKDONJSA-N 2 2 315.402 1.276 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026365571 737426298 /nfs/dbraw/zinc/42/62/98/737426298.db2.gz YDFQGAWLPKUMMU-FPMFFAJLSA-N 2 2 308.813 1.531 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691664 738555609 /nfs/dbraw/zinc/55/56/09/738555609.db2.gz RMEWMHWTQDAELR-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691664 738555611 /nfs/dbraw/zinc/55/56/11/738555611.db2.gz RMEWMHWTQDAELR-IAGOWNOFSA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001020918090 732766744 /nfs/dbraw/zinc/76/67/44/732766744.db2.gz WOBBNOMGOTXLEI-HDJSIYSDSA-N 2 2 311.389 1.694 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224357 733279973 /nfs/dbraw/zinc/27/99/73/733279973.db2.gz FAYBBMMELQYILS-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001167355602 733282350 /nfs/dbraw/zinc/28/23/50/733282350.db2.gz RRZOZOBSUDWFGZ-UHFFFAOYSA-N 2 2 303.391 1.181 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021574695 733330173 /nfs/dbraw/zinc/33/01/73/733330173.db2.gz DFFHUWWZZRZLGW-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021574695 733330177 /nfs/dbraw/zinc/33/01/77/733330177.db2.gz DFFHUWWZZRZLGW-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449254 735241056 /nfs/dbraw/zinc/24/10/56/735241056.db2.gz LDQVCVITIXCJBZ-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023449254 735241060 /nfs/dbraw/zinc/24/10/60/735241060.db2.gz LDQVCVITIXCJBZ-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203159440 735727553 /nfs/dbraw/zinc/72/75/53/735727553.db2.gz HLTXPYSLNONTEJ-CVEARBPZSA-N 2 2 322.412 1.988 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024519959 735889273 /nfs/dbraw/zinc/88/92/73/735889273.db2.gz AFEKTEAHWOIBBY-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024519959 735889275 /nfs/dbraw/zinc/88/92/75/735889275.db2.gz AFEKTEAHWOIBBY-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516077 735892844 /nfs/dbraw/zinc/89/28/44/735892844.db2.gz GHYRPVQHHKYKIM-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001024516077 735892850 /nfs/dbraw/zinc/89/28/50/735892850.db2.gz GHYRPVQHHKYKIM-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777256 737196154 /nfs/dbraw/zinc/19/61/54/737196154.db2.gz BDSGVCRREWRZPY-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777256 737196157 /nfs/dbraw/zinc/19/61/57/737196157.db2.gz BDSGVCRREWRZPY-BZUAXINKSA-N 2 2 316.449 1.686 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075904707 741881319 /nfs/dbraw/zinc/88/13/19/741881319.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075904707 741881323 /nfs/dbraw/zinc/88/13/23/741881323.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075904707 741881327 /nfs/dbraw/zinc/88/13/27/741881327.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075904707 741881332 /nfs/dbraw/zinc/88/13/32/741881332.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 2 300.406 1.622 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469579 738324930 /nfs/dbraw/zinc/32/49/30/738324930.db2.gz FZMDPDVBPSDRMF-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001027469579 738324934 /nfs/dbraw/zinc/32/49/34/738324934.db2.gz FZMDPDVBPSDRMF-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493448 738347551 /nfs/dbraw/zinc/34/75/51/738347551.db2.gz GNRPJHPDDKXIKY-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493448 738347554 /nfs/dbraw/zinc/34/75/54/738347554.db2.gz GNRPJHPDDKXIKY-CQSZACIVSA-N 2 2 310.829 1.867 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027979762 738901482 /nfs/dbraw/zinc/90/14/82/738901482.db2.gz ABXOOSRZXWZUSU-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997974754 751433873 /nfs/dbraw/zinc/43/38/73/751433873.db2.gz HRQYDRLPNVCLPC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997974754 751433875 /nfs/dbraw/zinc/43/38/75/751433875.db2.gz HRQYDRLPNVCLPC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997974754 751433877 /nfs/dbraw/zinc/43/38/77/751433877.db2.gz HRQYDRLPNVCLPC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997974754 751433878 /nfs/dbraw/zinc/43/38/78/751433878.db2.gz HRQYDRLPNVCLPC-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001028601308 739779108 /nfs/dbraw/zinc/77/91/08/739779108.db2.gz MWYRKDORUMEVJL-GJZGRUSLSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001028601308 739779110 /nfs/dbraw/zinc/77/91/10/739779110.db2.gz MWYRKDORUMEVJL-GJZGRUSLSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=C)Cl)C1 ZINC001028601308 739779113 /nfs/dbraw/zinc/77/91/13/739779113.db2.gz MWYRKDORUMEVJL-GJZGRUSLSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=C)Cl)C1 ZINC001028601308 739779114 /nfs/dbraw/zinc/77/91/14/739779114.db2.gz MWYRKDORUMEVJL-GJZGRUSLSA-N 2 2 309.841 1.275 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796676 740052531 /nfs/dbraw/zinc/05/25/31/740052531.db2.gz DPKFUYOAGNSTGG-UONOGXRCSA-N 2 2 300.406 1.291 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796676 740052534 /nfs/dbraw/zinc/05/25/34/740052534.db2.gz DPKFUYOAGNSTGG-UONOGXRCSA-N 2 2 300.406 1.291 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028927324 740180337 /nfs/dbraw/zinc/18/03/37/740180337.db2.gz PDAAVPWBVVYXNR-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028927324 740180338 /nfs/dbraw/zinc/18/03/38/740180338.db2.gz PDAAVPWBVVYXNR-HNNXBMFYSA-N 2 2 323.400 1.342 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001037891417 751538607 /nfs/dbraw/zinc/53/86/07/751538607.db2.gz KGXDZLAFSCFRIE-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536143 740461244 /nfs/dbraw/zinc/46/12/44/740461244.db2.gz SPIWCVXVKZCQLW-YOEHRIQHSA-N 2 2 302.422 1.747 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791680 740508907 /nfs/dbraw/zinc/50/89/07/740508907.db2.gz ZDDVAEXBFGVYJI-JKSUJKDBSA-N 2 2 310.401 1.975 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001075791680 740508909 /nfs/dbraw/zinc/50/89/09/740508909.db2.gz ZDDVAEXBFGVYJI-JKSUJKDBSA-N 2 2 310.401 1.975 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037932717 751574622 /nfs/dbraw/zinc/57/46/22/751574622.db2.gz JPGVLRCHSBANKN-JSGCOSHPSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035534434 751616540 /nfs/dbraw/zinc/61/65/40/751616540.db2.gz UKMRONCRXRIWOA-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035534434 751616545 /nfs/dbraw/zinc/61/65/45/751616545.db2.gz UKMRONCRXRIWOA-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534434 751616547 /nfs/dbraw/zinc/61/65/47/751616547.db2.gz UKMRONCRXRIWOA-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534434 751616552 /nfs/dbraw/zinc/61/65/52/751616552.db2.gz UKMRONCRXRIWOA-DLBZAZTESA-N 2 2 323.481 1.642 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001088395580 741459379 /nfs/dbraw/zinc/45/93/79/741459379.db2.gz KPVQSYWZNQJMTP-LSDHHAIUSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001088395580 741459380 /nfs/dbraw/zinc/45/93/80/741459380.db2.gz KPVQSYWZNQJMTP-LSDHHAIUSA-N 2 2 302.422 1.582 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611824 751718026 /nfs/dbraw/zinc/71/80/26/751718026.db2.gz MDNTYLGDPXJJKX-MRXNPFEDSA-N 2 2 317.433 1.365 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001035611824 751718027 /nfs/dbraw/zinc/71/80/27/751718027.db2.gz MDNTYLGDPXJJKX-MRXNPFEDSA-N 2 2 317.433 1.365 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045640 742509826 /nfs/dbraw/zinc/50/98/26/742509826.db2.gz IZHQYXSGRXQSBG-UONOGXRCSA-N 2 2 308.813 1.477 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045640 742509830 /nfs/dbraw/zinc/50/98/30/742509830.db2.gz IZHQYXSGRXQSBG-UONOGXRCSA-N 2 2 308.813 1.477 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001183783099 743910064 /nfs/dbraw/zinc/91/00/64/743910064.db2.gz PZHMZOQUSSLGGQ-UONOGXRCSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001183783099 743910069 /nfs/dbraw/zinc/91/00/69/743910069.db2.gz PZHMZOQUSSLGGQ-UONOGXRCSA-N 2 2 300.406 1.037 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651058 744077932 /nfs/dbraw/zinc/07/79/32/744077932.db2.gz BZTGVNBYDVVJJK-KBPBESRZSA-N 2 2 310.401 1.884 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501387 744238140 /nfs/dbraw/zinc/23/81/40/744238140.db2.gz DOHDNFLOKIFKEL-LSDHHAIUSA-N 2 2 304.438 1.613 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851574 751922746 /nfs/dbraw/zinc/92/27/46/751922746.db2.gz ROGLDDKSHRLYFV-UHFFFAOYSA-N 2 2 322.840 1.868 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187988938 744643887 /nfs/dbraw/zinc/64/38/87/744643887.db2.gz URVSFDHAJDKLGB-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188172213 744668658 /nfs/dbraw/zinc/66/86/58/744668658.db2.gz BHZPTHZPUKFZPV-IAGOWNOFSA-N 2 2 316.449 1.841 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000992762500 745183608 /nfs/dbraw/zinc/18/36/08/745183608.db2.gz ZXKDFAYPMKZAPU-OWCLPIDISA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000992850297 745248590 /nfs/dbraw/zinc/24/85/90/745248590.db2.gz FWKIFDBTKWIPKF-BHYGNILZSA-N 2 2 316.449 1.755 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992924013 745294101 /nfs/dbraw/zinc/29/41/01/745294101.db2.gz KIJWQXQIEPWPBA-OWCLPIDISA-N 2 2 302.422 1.676 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426509 745781128 /nfs/dbraw/zinc/78/11/28/745781128.db2.gz PXDWDEZVROOSIP-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426509 745781133 /nfs/dbraw/zinc/78/11/33/745781133.db2.gz PXDWDEZVROOSIP-RRFJBIMHSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710817 745948130 /nfs/dbraw/zinc/94/81/30/745948130.db2.gz XLHAJIMSDXZPQJ-BZUAXINKSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194317409 746334924 /nfs/dbraw/zinc/33/49/24/746334924.db2.gz YRPJRPPCJSICRK-DLBZAZTESA-N 2 2 316.449 1.793 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001194317409 746334929 /nfs/dbraw/zinc/33/49/29/746334929.db2.gz YRPJRPPCJSICRK-DLBZAZTESA-N 2 2 316.449 1.793 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539535 747172507 /nfs/dbraw/zinc/17/25/07/747172507.db2.gz MBRKVMGZRXMJID-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089539535 747172512 /nfs/dbraw/zinc/17/25/12/747172512.db2.gz MBRKVMGZRXMJID-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031690510 747383889 /nfs/dbraw/zinc/38/38/89/747383889.db2.gz NDUUZGGGVLLMHY-OAHLLOKOSA-N 2 2 303.410 1.024 20 30 DDEDLP C=CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031690510 747383895 /nfs/dbraw/zinc/38/38/95/747383895.db2.gz NDUUZGGGVLLMHY-OAHLLOKOSA-N 2 2 303.410 1.024 20 30 DDEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089847688 748057259 /nfs/dbraw/zinc/05/72/59/748057259.db2.gz SPBHGVQDANQOMM-QAETUUGQSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cc[nH+]c2)C1 ZINC001089847688 748057267 /nfs/dbraw/zinc/05/72/67/748057267.db2.gz SPBHGVQDANQOMM-QAETUUGQSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001201335130 748488663 /nfs/dbraw/zinc/48/86/63/748488663.db2.gz IEZQKQNSEBMYDU-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201335848 748489201 /nfs/dbraw/zinc/48/92/01/748489201.db2.gz LGXDOARJTUKQDL-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706424 752285827 /nfs/dbraw/zinc/28/58/27/752285827.db2.gz QJBLPQBVZRKQBB-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001007706424 752285834 /nfs/dbraw/zinc/28/58/34/752285834.db2.gz QJBLPQBVZRKQBB-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201951842 748652253 /nfs/dbraw/zinc/65/22/53/748652253.db2.gz CJJKUILQGSJFOZ-CQSZACIVSA-N 2 2 306.410 1.044 20 30 DDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032181065 748768468 /nfs/dbraw/zinc/76/84/68/748768468.db2.gz AMQOORQVHGXMOJ-CYBMUJFWSA-N 2 2 318.446 1.119 20 30 DDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032181065 748768472 /nfs/dbraw/zinc/76/84/72/748768472.db2.gz AMQOORQVHGXMOJ-CYBMUJFWSA-N 2 2 318.446 1.119 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1(C)C ZINC000995980657 749314112 /nfs/dbraw/zinc/31/41/12/749314112.db2.gz QRTUWNXKUSPTOL-CZUORRHYSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1(C)C ZINC000995980657 749314117 /nfs/dbraw/zinc/31/41/17/749314117.db2.gz QRTUWNXKUSPTOL-CZUORRHYSA-N 2 2 314.433 1.283 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996077083 749371253 /nfs/dbraw/zinc/37/12/53/749371253.db2.gz XNTGEDOKFBQBNS-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367462 761970260 /nfs/dbraw/zinc/97/02/60/761970260.db2.gz DUEGGPMKQWFMKD-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001039367462 761970264 /nfs/dbraw/zinc/97/02/64/761970264.db2.gz DUEGGPMKQWFMKD-CABCVRRESA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033786845 749884825 /nfs/dbraw/zinc/88/48/25/749884825.db2.gz AALPPAHEAFOXRT-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033786845 749884834 /nfs/dbraw/zinc/88/48/34/749884834.db2.gz AALPPAHEAFOXRT-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033786845 749884840 /nfs/dbraw/zinc/88/48/40/749884840.db2.gz AALPPAHEAFOXRT-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033786845 749884846 /nfs/dbraw/zinc/88/48/46/749884846.db2.gz AALPPAHEAFOXRT-CVEARBPZSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996684396 749906495 /nfs/dbraw/zinc/90/64/95/749906495.db2.gz LWCRILHBNNHPSL-CHWSQXEVSA-N 2 2 308.813 1.846 20 30 DDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996684396 749906499 /nfs/dbraw/zinc/90/64/99/749906499.db2.gz LWCRILHBNNHPSL-CHWSQXEVSA-N 2 2 308.813 1.846 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773287 749948679 /nfs/dbraw/zinc/94/86/79/749948679.db2.gz PLVAKTZRSXSFRK-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773287 749948686 /nfs/dbraw/zinc/94/86/86/749948686.db2.gz PLVAKTZRSXSFRK-CZUORRHYSA-N 2 2 319.453 1.851 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996735301 750005864 /nfs/dbraw/zinc/00/58/64/750005864.db2.gz BFWWBPXHZDPSGI-AWEZNQCLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874751 750008297 /nfs/dbraw/zinc/00/82/97/750008297.db2.gz HQNILYOFKSYZEP-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874751 750008302 /nfs/dbraw/zinc/00/83/02/750008302.db2.gz HQNILYOFKSYZEP-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880553 750046496 /nfs/dbraw/zinc/04/64/96/750046496.db2.gz LEOPUCFJJBOCRK-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033880553 750046503 /nfs/dbraw/zinc/04/65/03/750046503.db2.gz LEOPUCFJJBOCRK-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960100 750177950 /nfs/dbraw/zinc/17/79/50/750177950.db2.gz YABHMFLFOODNKU-JKSUJKDBSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960100 750177954 /nfs/dbraw/zinc/17/79/54/750177954.db2.gz YABHMFLFOODNKU-JKSUJKDBSA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939558 750186398 /nfs/dbraw/zinc/18/63/98/750186398.db2.gz IHUXTEUUQOHWSD-WBVHZDCISA-N 2 2 314.433 1.310 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939558 750186403 /nfs/dbraw/zinc/18/64/03/750186403.db2.gz IHUXTEUUQOHWSD-WBVHZDCISA-N 2 2 314.433 1.310 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445905 762038716 /nfs/dbraw/zinc/03/87/16/762038716.db2.gz LUMFAZHVWWJWJC-ZACQAIPSSA-N 2 2 314.433 1.923 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039445905 762038722 /nfs/dbraw/zinc/03/87/22/762038722.db2.gz LUMFAZHVWWJWJC-ZACQAIPSSA-N 2 2 314.433 1.923 20 30 DDEDLP C=CC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000997138244 750551794 /nfs/dbraw/zinc/55/17/94/750551794.db2.gz BTXJXPIXEWZMNJ-UHFFFAOYSA-N 2 2 307.438 1.008 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465029 762055697 /nfs/dbraw/zinc/05/56/97/762055697.db2.gz JWYOAHOBQFTIMD-ZBFHGGJFSA-N 2 2 300.406 1.051 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001039465029 762055706 /nfs/dbraw/zinc/05/57/06/762055706.db2.gz JWYOAHOBQFTIMD-ZBFHGGJFSA-N 2 2 300.406 1.051 20 30 DDEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005606725 750695921 /nfs/dbraw/zinc/69/59/21/750695921.db2.gz PNOPHXZULYDMPV-CQSZACIVSA-N 2 2 302.422 1.554 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000997356692 750796193 /nfs/dbraw/zinc/79/61/93/750796193.db2.gz LLEHTUSAHKHOSI-UHFFFAOYSA-N 2 2 317.458 1.320 20 30 DDEDLP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000997356692 750796195 /nfs/dbraw/zinc/79/61/95/750796195.db2.gz LLEHTUSAHKHOSI-UHFFFAOYSA-N 2 2 317.458 1.320 20 30 DDEDLP C=C(Cl)C[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001005715271 750884677 /nfs/dbraw/zinc/88/46/77/750884677.db2.gz ZXFPIPAJMXNWEY-UHFFFAOYSA-N 2 2 310.829 1.867 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653143 750934302 /nfs/dbraw/zinc/93/43/02/750934302.db2.gz ZYWYTBQXQFMNCM-AIANPOQGSA-N 2 2 302.422 1.674 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653143 750934304 /nfs/dbraw/zinc/93/43/04/750934304.db2.gz ZYWYTBQXQFMNCM-AIANPOQGSA-N 2 2 302.422 1.674 20 30 DDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997648561 751181179 /nfs/dbraw/zinc/18/11/79/751181179.db2.gz IUMWYVRVTFXBDO-GOEBONIOSA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108420969 762127259 /nfs/dbraw/zinc/12/72/59/762127259.db2.gz DRAQRZLZQVLBPK-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108420969 762127260 /nfs/dbraw/zinc/12/72/60/762127260.db2.gz DRAQRZLZQVLBPK-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108420969 762127262 /nfs/dbraw/zinc/12/72/62/762127262.db2.gz DRAQRZLZQVLBPK-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108420969 762127264 /nfs/dbraw/zinc/12/72/64/762127264.db2.gz DRAQRZLZQVLBPK-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP N#Cc1c(-c2ccccc2)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067704 762217733 /nfs/dbraw/zinc/21/77/33/762217733.db2.gz WJBHBBCARUHGBT-CQSZACIVSA-N 2 2 319.368 1.668 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369480 753821532 /nfs/dbraw/zinc/82/15/32/753821532.db2.gz LAGVSNKSCLEFDW-IUODEOHRSA-N 2 2 318.446 1.404 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369480 753821540 /nfs/dbraw/zinc/82/15/40/753821540.db2.gz LAGVSNKSCLEFDW-IUODEOHRSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010369480 753821548 /nfs/dbraw/zinc/82/15/48/753821548.db2.gz LAGVSNKSCLEFDW-IUODEOHRSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010369480 753821554 /nfs/dbraw/zinc/82/15/54/753821554.db2.gz LAGVSNKSCLEFDW-IUODEOHRSA-N 2 2 318.446 1.404 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C12CCC2 ZINC001078656569 754254089 /nfs/dbraw/zinc/25/40/89/754254089.db2.gz KLXOMFBUAHBURJ-HOTGVXAUSA-N 2 2 315.417 1.836 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911274 756644108 /nfs/dbraw/zinc/64/41/08/756644108.db2.gz MKMLYGJAIYOKFJ-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911274 756644114 /nfs/dbraw/zinc/64/41/14/756644114.db2.gz MKMLYGJAIYOKFJ-OAHLLOKOSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442761 762537055 /nfs/dbraw/zinc/53/70/55/762537055.db2.gz FSQXSQFLAVBPGW-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001040442761 762537059 /nfs/dbraw/zinc/53/70/59/762537059.db2.gz FSQXSQFLAVBPGW-MAUKXSAKSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016837742 757395556 /nfs/dbraw/zinc/39/55/56/757395556.db2.gz XAMPQUSMFKPJSN-IIAWOOMASA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902197 757456236 /nfs/dbraw/zinc/45/62/36/757456236.db2.gz HXRWZOWIRZPLKP-AWEZNQCLSA-N 2 2 302.422 1.889 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311605 757477542 /nfs/dbraw/zinc/47/75/42/757477542.db2.gz RKQCBYRSXWUIIX-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311605 757477546 /nfs/dbraw/zinc/47/75/46/757477546.db2.gz RKQCBYRSXWUIIX-HUUCEWRRSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465910 757582786 /nfs/dbraw/zinc/58/27/86/757582786.db2.gz XYGMYIGOEIWUSX-HLLBOEOZSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465910 757582791 /nfs/dbraw/zinc/58/27/91/757582791.db2.gz XYGMYIGOEIWUSX-HLLBOEOZSA-N 2 2 312.417 1.002 20 30 DDEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040516198 762574011 /nfs/dbraw/zinc/57/40/11/762574011.db2.gz SFUCJTDKBIVGIT-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001040516198 762574015 /nfs/dbraw/zinc/57/40/15/762574015.db2.gz SFUCJTDKBIVGIT-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP 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ZINC001085682698 760002187 /nfs/dbraw/zinc/00/21/87/760002187.db2.gz YZSKOEFNUGLESI-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040867136 762712701 /nfs/dbraw/zinc/71/27/01/762712701.db2.gz AKTYLDKOXSQBKR-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717197 763245807 /nfs/dbraw/zinc/24/58/07/763245807.db2.gz MNEFLVXELJQBTG-RDJZCZTQSA-N 2 2 302.422 1.945 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717197 763245816 /nfs/dbraw/zinc/24/58/16/763245816.db2.gz MNEFLVXELJQBTG-RDJZCZTQSA-N 2 2 302.422 1.945 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431533 763695354 /nfs/dbraw/zinc/69/53/54/763695354.db2.gz UCCLHHNMPNUKPZ-QZWWFDLISA-N 2 2 314.433 1.825 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109431533 763695360 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C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266565053 836476757 /nfs/dbraw/zinc/47/67/57/836476757.db2.gz KLXGDKAKNXGKOC-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266565053 836476765 /nfs/dbraw/zinc/47/67/65/836476765.db2.gz KLXGDKAKNXGKOC-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001266850166 836930973 /nfs/dbraw/zinc/93/09/73/836930973.db2.gz VSQLOWMCTPAETK-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001266850166 836930984 /nfs/dbraw/zinc/93/09/84/836930984.db2.gz VSQLOWMCTPAETK-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267061987 837273594 /nfs/dbraw/zinc/27/35/94/837273594.db2.gz UXPAFOVFCCMEBL-MRXNPFEDSA-N 2 2 324.428 1.647 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665253 838339408 /nfs/dbraw/zinc/33/94/08/838339408.db2.gz JGDMAGYJABTXEN-RDJZCZTQSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001283665253 838339414 /nfs/dbraw/zinc/33/94/14/838339414.db2.gz JGDMAGYJABTXEN-RDJZCZTQSA-N 2 2 321.465 1.090 20 30 DDEDLP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267944552 839236796 /nfs/dbraw/zinc/23/67/96/839236796.db2.gz CGAMRFPOHXZLQR-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023793 839409178 /nfs/dbraw/zinc/40/91/78/839409178.db2.gz QMNDAKBMQHGBOW-JKSUJKDBSA-N 2 2 320.437 1.445 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268023793 839409188 /nfs/dbraw/zinc/40/91/88/839409188.db2.gz QMNDAKBMQHGBOW-JKSUJKDBSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cscn1 ZINC001268459163 840231751 /nfs/dbraw/zinc/23/17/51/840231751.db2.gz OWXOPMPTKCLSFT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cscn1 ZINC001268459163 840231766 /nfs/dbraw/zinc/23/17/66/840231766.db2.gz OWXOPMPTKCLSFT-HNNXBMFYSA-N 2 2 320.462 1.179 20 30 DDEDLP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269871094 842118565 /nfs/dbraw/zinc/11/85/65/842118565.db2.gz NFVXZLLUVNWYII-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269871094 842118566 /nfs/dbraw/zinc/11/85/66/842118566.db2.gz NFVXZLLUVNWYII-HZPDHXFCSA-N 2 2 314.433 1.755 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001269881655 842128312 /nfs/dbraw/zinc/12/83/12/842128312.db2.gz LNKNHRKJEJOICL-AWEZNQCLSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001270436642 842575346 /nfs/dbraw/zinc/57/53/46/842575346.db2.gz PZCBMXNSOYHILP-CABCVRRESA-N 2 2 304.438 1.754 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001270442305 842578346 /nfs/dbraw/zinc/57/83/46/842578346.db2.gz KWTWEAWEPNRZSW-PBHICJAKSA-N 2 2 316.449 1.876 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001270442305 842578351 /nfs/dbraw/zinc/57/83/51/842578351.db2.gz KWTWEAWEPNRZSW-PBHICJAKSA-N 2 2 316.449 1.876 20 30 DDEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270590479 842695171 /nfs/dbraw/zinc/69/51/71/842695171.db2.gz OVKFZNQUDCWRAC-SFHVURJKSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270590479 842695182 /nfs/dbraw/zinc/69/51/82/842695182.db2.gz OVKFZNQUDCWRAC-SFHVURJKSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001326491235 861405439 /nfs/dbraw/zinc/40/54/39/861405439.db2.gz YBLZANYVZPOZSH-HNNXBMFYSA-N 2 2 324.428 1.953 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275294 848225653 /nfs/dbraw/zinc/22/56/53/848225653.db2.gz FRWOVZGXAWCXLS-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034275294 848225662 /nfs/dbraw/zinc/22/56/62/848225662.db2.gz FRWOVZGXAWCXLS-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282643 848249576 /nfs/dbraw/zinc/24/95/76/848249576.db2.gz QCAWXVAVPLJPQP-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282643 848249582 /nfs/dbraw/zinc/24/95/82/848249582.db2.gz QCAWXVAVPLJPQP-CQSZACIVSA-N 2 2 320.437 1.897 20 30 DDEDLP Cc1cc(Cl)nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c1C#N ZINC001155364192 861998635 /nfs/dbraw/zinc/99/86/35/861998635.db2.gz WZMHCXHCJVBPLB-ZDUSSCGKSA-N 2 2 319.840 1.774 20 30 DDEDLP N#CCCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274041036 851881247 /nfs/dbraw/zinc/88/12/47/851881247.db2.gz ZNGXXICVHHFFTA-INIZCTEOSA-N 2 2 301.394 1.111 20 30 DDEDLP N#CCCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274041036 851881249 /nfs/dbraw/zinc/88/12/49/851881249.db2.gz ZNGXXICVHHFFTA-INIZCTEOSA-N 2 2 301.394 1.111 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001275632957 853464469 /nfs/dbraw/zinc/46/44/69/853464469.db2.gz RBWLLJVIUPEAPF-HPUBIQBYSA-N 2 2 316.449 1.971 20 30 DDEDLP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001275632957 853464476 /nfs/dbraw/zinc/46/44/76/853464476.db2.gz RBWLLJVIUPEAPF-HPUBIQBYSA-N 2 2 316.449 1.971 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564407 856981382 /nfs/dbraw/zinc/98/13/82/856981382.db2.gz METZLYFOQLEUKS-JKSUJKDBSA-N 2 2 316.405 1.048 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001049564407 856981388 /nfs/dbraw/zinc/98/13/88/856981388.db2.gz METZLYFOQLEUKS-JKSUJKDBSA-N 2 2 316.405 1.048 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864574 857817895 /nfs/dbraw/zinc/81/78/95/857817895.db2.gz JWBAZQRZFLUUHW-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864574 857817905 /nfs/dbraw/zinc/81/79/05/857817905.db2.gz JWBAZQRZFLUUHW-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129059 858124827 /nfs/dbraw/zinc/12/48/27/858124827.db2.gz FMYIFWBNCFMAFM-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001073129059 858124828 /nfs/dbraw/zinc/12/48/28/858124828.db2.gz FMYIFWBNCFMAFM-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857932 860168817 /nfs/dbraw/zinc/16/88/17/860168817.db2.gz YPAVWTPTTNNYLJ-UONOGXRCSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001325861449 860894330 /nfs/dbraw/zinc/89/43/30/860894330.db2.gz RZKZUNOWUJNPDL-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001325861449 860894337 /nfs/dbraw/zinc/89/43/37/860894337.db2.gz RZKZUNOWUJNPDL-KRWDZBQOSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732225 863179845 /nfs/dbraw/zinc/17/98/45/863179845.db2.gz CPNWLGVTWLSIPW-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732225 863179848 /nfs/dbraw/zinc/17/98/48/863179848.db2.gz CPNWLGVTWLSIPW-HZPDHXFCSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001328915199 863332760 /nfs/dbraw/zinc/33/27/60/863332760.db2.gz HMFMDNUJZDUSOH-QDIHITRGSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158955566 864993988 /nfs/dbraw/zinc/99/39/88/864993988.db2.gz LTXNXKAIFKOMDE-MRXNPFEDSA-N 2 2 302.422 1.609 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158955566 864993993 /nfs/dbraw/zinc/99/39/93/864993993.db2.gz LTXNXKAIFKOMDE-MRXNPFEDSA-N 2 2 302.422 1.609 20 30 DDEDLP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320471474 866762431 /nfs/dbraw/zinc/76/24/31/866762431.db2.gz XLSKCTYHBDAIRC-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001324481704 867304902 /nfs/dbraw/zinc/30/49/02/867304902.db2.gz HQXWXUNUBMPJAU-NVXWUHKLSA-N 2 2 316.449 1.896 20 30 DDEDLP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001322305402 868106228 /nfs/dbraw/zinc/10/62/28/868106228.db2.gz DYBJFLHQTAHLHE-MRXNPFEDSA-N 2 2 310.401 1.371 20 30 DDEDLP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001322305402 868106242 /nfs/dbraw/zinc/10/62/42/868106242.db2.gz DYBJFLHQTAHLHE-MRXNPFEDSA-N 2 2 310.401 1.371 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779330 869136498 /nfs/dbraw/zinc/13/64/98/869136498.db2.gz JAVOERQKTQSWTR-GOEBONIOSA-N 2 2 303.406 1.229 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC001336779330 869136502 /nfs/dbraw/zinc/13/65/02/869136502.db2.gz JAVOERQKTQSWTR-GOEBONIOSA-N 2 2 303.406 1.229 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165717975 869690706 /nfs/dbraw/zinc/69/07/06/869690706.db2.gz BUHRLSWPMBMMHI-UHFFFAOYSA-N 2 2 316.449 1.826 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243039 870527538 /nfs/dbraw/zinc/52/75/38/870527538.db2.gz UCHPAITVYLZNCW-CYBMUJFWSA-N 2 2 316.405 1.553 20 30 DDEDLP C#CC[N@@H+](CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001317551097 871048977 /nfs/dbraw/zinc/04/89/77/871048977.db2.gz BZRSFQDZVAFGFO-MRXNPFEDSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CC[N@H+](CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC001317551097 871048993 /nfs/dbraw/zinc/04/89/93/871048993.db2.gz BZRSFQDZVAFGFO-MRXNPFEDSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787982 871506217 /nfs/dbraw/zinc/50/62/17/871506217.db2.gz HHUKRFCKNBGIBT-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317787982 871506229 /nfs/dbraw/zinc/50/62/29/871506229.db2.gz HHUKRFCKNBGIBT-HOTGVXAUSA-N 2 2 314.433 1.297 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317796192 871516800 /nfs/dbraw/zinc/51/68/00/871516800.db2.gz UBZDKIFAILUWKA-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317796192 871516816 /nfs/dbraw/zinc/51/68/16/871516816.db2.gz UBZDKIFAILUWKA-HNNXBMFYSA-N 2 2 302.422 1.204 20 30 DDEDLP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317845760 871584545 /nfs/dbraw/zinc/58/45/45/871584545.db2.gz SIYSXAKOEZHAHO-OAHLLOKOSA-N 2 2 302.422 1.156 20 30 DDEDLP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001317845760 871584552 /nfs/dbraw/zinc/58/45/52/871584552.db2.gz SIYSXAKOEZHAHO-OAHLLOKOSA-N 2 2 302.422 1.156 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)on1 ZINC001316828886 872129086 /nfs/dbraw/zinc/12/90/86/872129086.db2.gz MGYBUWFTZBQLSE-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)on1 ZINC001316828886 872129095 /nfs/dbraw/zinc/12/90/95/872129095.db2.gz MGYBUWFTZBQLSE-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)on1 ZINC001316828886 872129104 /nfs/dbraw/zinc/12/91/04/872129104.db2.gz MGYBUWFTZBQLSE-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)on1 ZINC001316828886 872129112 /nfs/dbraw/zinc/12/91/12/872129112.db2.gz MGYBUWFTZBQLSE-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001318527936 872133374 /nfs/dbraw/zinc/13/33/74/872133374.db2.gz PQGBWZGYINJTNH-AWEZNQCLSA-N 2 2 302.422 1.270 20 30 DDEDLP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001318543488 872141983 /nfs/dbraw/zinc/14/19/83/872141983.db2.gz XREHYMJBQHBTIX-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316880705 872197108 /nfs/dbraw/zinc/19/71/08/872197108.db2.gz NLDSBAJMILUWHD-HUUCEWRRSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001319081080 872432811 /nfs/dbraw/zinc/43/28/11/872432811.db2.gz WFGBDGXUCZVZSB-HZPDHXFCSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCn1nnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001345107905 873259473 /nfs/dbraw/zinc/25/94/73/873259473.db2.gz GGEFERBHLDZUED-MELADBBJSA-N 2 2 322.482 1.615 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001345107905 873259480 /nfs/dbraw/zinc/25/94/80/873259480.db2.gz GGEFERBHLDZUED-MELADBBJSA-N 2 2 322.482 1.615 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001378841749 875751192 /nfs/dbraw/zinc/75/11/92/875751192.db2.gz RCKRBBSXPCNTHG-MGPQQGTHSA-N 2 2 322.840 1.682 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975553 876118365 /nfs/dbraw/zinc/11/83/65/876118365.db2.gz MBXLVBKNDLPBPH-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975553 876118369 /nfs/dbraw/zinc/11/83/69/876118369.db2.gz MBXLVBKNDLPBPH-HZPDHXFCSA-N 2 2 320.437 1.445 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006713 876538452 /nfs/dbraw/zinc/53/84/52/876538452.db2.gz ZVBNIRQBFONGTI-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006713 876538463 /nfs/dbraw/zinc/53/84/63/876538463.db2.gz ZVBNIRQBFONGTI-HACGYAERSA-N 2 2 314.433 1.283 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511414 876738793 /nfs/dbraw/zinc/73/87/93/876738793.db2.gz LBZLXBNENDEIFK-VNHYZAJKSA-N 2 2 300.406 1.289 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001379558298 877389518 /nfs/dbraw/zinc/38/95/18/877389518.db2.gz AMNBGJCSMHOBDM-UONOGXRCSA-N 2 2 310.829 1.995 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001276810030 878665640 /nfs/dbraw/zinc/66/56/40/878665640.db2.gz AVQDGCRPIUVZGV-GOEBONIOSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220663838 879167309 /nfs/dbraw/zinc/16/73/09/879167309.db2.gz OWQOGWHXZUAWPO-PMUMKWKESA-N 2 2 315.417 1.380 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001374391868 912705124 /nfs/dbraw/zinc/70/51/24/912705124.db2.gz APKNASZUXOISDG-WFASDCNBSA-N 2 2 324.856 1.932 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001382358704 883900031 /nfs/dbraw/zinc/90/00/31/883900031.db2.gz VBOFPDANCPCNGO-CHWSQXEVSA-N 2 2 310.829 1.969 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001382358704 883900050 /nfs/dbraw/zinc/90/00/50/883900050.db2.gz VBOFPDANCPCNGO-CHWSQXEVSA-N 2 2 310.829 1.969 20 30 DDEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001277938713 888571598 /nfs/dbraw/zinc/57/15/98/888571598.db2.gz DNVWJXBUZVKAMK-HZPDHXFCSA-N 2 2 316.449 1.355 20 30 DDEDLP N#CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001277938713 888571602 /nfs/dbraw/zinc/57/16/02/888571602.db2.gz DNVWJXBUZVKAMK-HZPDHXFCSA-N 2 2 316.449 1.355 20 30 DDEDLP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246533894 892680576 /nfs/dbraw/zinc/68/05/76/892680576.db2.gz OXLNUDQSWDZDGA-GJZGRUSLSA-N 2 2 307.438 1.847 20 30 DDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246546708 892687980 /nfs/dbraw/zinc/68/79/80/892687980.db2.gz DSNXVMIKWRVANQ-WBVHZDCISA-N 2 2 307.438 1.849 20 30 DDEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246546708 892687987 /nfs/dbraw/zinc/68/79/87/892687987.db2.gz DSNXVMIKWRVANQ-WBVHZDCISA-N 2 2 307.438 1.849 20 30 DDEDLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(C#N)c1 ZINC001366344355 893243766 /nfs/dbraw/zinc/24/37/66/893243766.db2.gz JEBDYDKWUNLFDN-ZDUSSCGKSA-N 2 2 311.389 1.129 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001278651927 895038401 /nfs/dbraw/zinc/03/84/01/895038401.db2.gz VWCGACZSNDOUPE-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001252584754 895292944 /nfs/dbraw/zinc/29/29/44/895292944.db2.gz FFBDVXSCBIENIP-KSZLIROESA-N 2 2 304.434 1.803 20 30 DDEDLP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001252584754 895292951 /nfs/dbraw/zinc/29/29/51/895292951.db2.gz FFBDVXSCBIENIP-KSZLIROESA-N 2 2 304.434 1.803 20 30 DDEDLP C=C(Br)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367135705 895969848 /nfs/dbraw/zinc/96/98/48/895969848.db2.gz HPPOIIDTKQKBBF-SNVBAGLBSA-N 2 2 315.215 1.345 20 30 DDEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001278977676 897624663 /nfs/dbraw/zinc/62/46/63/897624663.db2.gz COHKYOBNCQBJLJ-GJZGRUSLSA-N 2 2 316.449 1.589 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001264469123 901138499 /nfs/dbraw/zinc/13/84/99/901138499.db2.gz WLONXRFZMITEKA-ARFHVFGLSA-N 2 2 314.433 1.343 20 30 DDEDLP C=CCCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264636174 901241168 /nfs/dbraw/zinc/24/11/68/901241168.db2.gz OYLIOQBOSIBXKK-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264636174 901241182 /nfs/dbraw/zinc/24/11/82/901241182.db2.gz OYLIOQBOSIBXKK-MRXNPFEDSA-N 2 2 320.437 1.135 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397414 901970055 /nfs/dbraw/zinc/97/00/55/901970055.db2.gz YOJVAUCTSKSWML-HUUCEWRRSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001265397414 901970064 /nfs/dbraw/zinc/97/00/64/901970064.db2.gz YOJVAUCTSKSWML-HUUCEWRRSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397414 901970074 /nfs/dbraw/zinc/97/00/74/901970074.db2.gz YOJVAUCTSKSWML-HUUCEWRRSA-N 2 2 304.438 1.945 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001265397414 901970084 /nfs/dbraw/zinc/97/00/84/901970084.db2.gz YOJVAUCTSKSWML-HUUCEWRRSA-N 2 2 304.438 1.945 20 30 DDEDLP N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001391562125 902008910 /nfs/dbraw/zinc/00/89/10/902008910.db2.gz LSUJPAAKPJVFPF-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001391562125 902008917 /nfs/dbraw/zinc/00/89/17/902008917.db2.gz LSUJPAAKPJVFPF-KRWDZBQOSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001279288879 903211597 /nfs/dbraw/zinc/21/15/97/903211597.db2.gz PUAYQOMMEVXKTD-WKILWMFISA-N 2 2 316.449 1.796 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601201 903503356 /nfs/dbraw/zinc/50/33/56/903503356.db2.gz OUGWELGFFVNBBT-INIZCTEOSA-N 2 2 321.465 1.043 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601201 903503375 /nfs/dbraw/zinc/50/33/75/903503375.db2.gz OUGWELGFFVNBBT-INIZCTEOSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001371581321 905258878 /nfs/dbraw/zinc/25/88/78/905258878.db2.gz KYHRLCYCWMLAPY-JHJVBQTASA-N 2 2 308.813 1.704 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001371581321 905258897 /nfs/dbraw/zinc/25/88/97/905258897.db2.gz KYHRLCYCWMLAPY-JHJVBQTASA-N 2 2 308.813 1.704 20 30 DDEDLP CC#CC[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001282262916 905654387 /nfs/dbraw/zinc/65/43/87/905654387.db2.gz FLFIDXXSMOVXMC-UHFFFAOYSA-N 2 2 302.422 1.656 20 30 DDEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283202768 906875402 /nfs/dbraw/zinc/87/54/02/906875402.db2.gz LNFUGFCMAYNRPX-HUUCEWRRSA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001316632473 908944445 /nfs/dbraw/zinc/94/44/45/908944445.db2.gz HPPXFBZLABKYMJ-RBSFLKMASA-N 2 2 302.422 1.506 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316633723 909262643 /nfs/dbraw/zinc/26/26/43/909262643.db2.gz QCECRCFKGFOSRR-ULQDDVLXSA-N 2 2 316.449 1.978 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)c1 ZINC001376816429 919477204 /nfs/dbraw/zinc/47/72/04/919477204.db2.gz DKTPGTHABODTPK-UHFFFAOYSA-N 2 2 323.400 1.583 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1OC ZINC000143856540 354152218 /nfs/dbraw/zinc/15/22/18/354152218.db2.gz WXAPTKVDMCRVIG-UHFFFAOYSA-N 2 2 303.366 1.717 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000594426668 356207085 /nfs/dbraw/zinc/20/70/85/356207085.db2.gz QOWGSQCNRIBFTM-OAHLLOKOSA-N 2 2 315.421 1.709 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H]([NH3+])CCCCC#N)CC1(C)C ZINC000595946883 356717945 /nfs/dbraw/zinc/71/79/45/356717945.db2.gz JRUDQHFFSGSSMO-QWHCGFSZSA-N 2 2 303.410 1.741 20 30 DDEDLP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C#N)c[nH+]1 ZINC000596425530 356875528 /nfs/dbraw/zinc/87/55/28/356875528.db2.gz ZTRGLCCAFNWNFI-GOSISDBHSA-N 2 2 322.412 1.862 20 30 DDEDLP Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C#N)c[nH+]1 ZINC000596425530 356875530 /nfs/dbraw/zinc/87/55/30/356875530.db2.gz ZTRGLCCAFNWNFI-GOSISDBHSA-N 2 2 322.412 1.862 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000600718511 358294112 /nfs/dbraw/zinc/29/41/12/358294112.db2.gz XXHWRYDTPLLDNG-KRWDZBQOSA-N 2 2 314.433 1.690 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330195935 223086860 /nfs/dbraw/zinc/08/68/60/223086860.db2.gz PLCXQEWQKHDGGV-CYBMUJFWSA-N 2 2 305.426 1.576 20 30 DDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000619720796 364130893 /nfs/dbraw/zinc/13/08/93/364130893.db2.gz XNLQWPLLQRMLIP-INIZCTEOSA-N 2 2 310.438 1.538 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625321339 366848090 /nfs/dbraw/zinc/84/80/90/366848090.db2.gz KIJHBKNGEDILFZ-CQSZACIVSA-N 2 2 302.422 1.521 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158149339 197247537 /nfs/dbraw/zinc/24/75/37/197247537.db2.gz OMWIKVLSPUZGGR-OAHLLOKOSA-N 2 2 303.406 1.829 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158149339 197247539 /nfs/dbraw/zinc/24/75/39/197247539.db2.gz OMWIKVLSPUZGGR-OAHLLOKOSA-N 2 2 303.406 1.829 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000123858472 407340710 /nfs/dbraw/zinc/34/07/10/407340710.db2.gz ZJJFIGFBSRPDCF-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C ZINC000123858472 407340713 /nfs/dbraw/zinc/34/07/13/407340713.db2.gz ZJJFIGFBSRPDCF-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858472 407340715 /nfs/dbraw/zinc/34/07/15/407340715.db2.gz ZJJFIGFBSRPDCF-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC[NH+]1C ZINC000123858472 407340717 /nfs/dbraw/zinc/34/07/17/407340717.db2.gz ZJJFIGFBSRPDCF-CJNGLKHVSA-N 2 2 300.406 1.911 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109015070 407393976 /nfs/dbraw/zinc/39/39/76/407393976.db2.gz NHELLZPJQVMANP-UHFFFAOYSA-N 2 2 306.435 1.974 20 30 DDEDLP COc1ccc(C(N)=[NH+]OCCCn2cc[nH+]c2C)cc1OC ZINC000271217946 407580076 /nfs/dbraw/zinc/58/00/76/407580076.db2.gz NWTCKXNPGVDMTH-UHFFFAOYSA-N 2 2 318.377 1.936 20 30 DDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000328923421 410013029 /nfs/dbraw/zinc/01/30/29/410013029.db2.gz CXSCZVGCIQCSRV-WBMJQRKESA-N 2 2 318.421 1.867 20 30 DDEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000328923421 410013035 /nfs/dbraw/zinc/01/30/35/410013035.db2.gz CXSCZVGCIQCSRV-WBMJQRKESA-N 2 2 318.421 1.867 20 30 DDEDLP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648824 410132390 /nfs/dbraw/zinc/13/23/90/410132390.db2.gz UUAFBMGXUVUZSG-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648824 410132399 /nfs/dbraw/zinc/13/23/99/410132399.db2.gz UUAFBMGXUVUZSG-HOTGVXAUSA-N 2 2 308.466 1.988 20 30 DDEDLP N#CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000357924785 410327528 /nfs/dbraw/zinc/32/75/28/410327528.db2.gz FSOKDHGPBXRNBK-UHFFFAOYSA-N 2 2 304.438 1.355 20 30 DDEDLP N#CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000357924785 410327535 /nfs/dbraw/zinc/32/75/35/410327535.db2.gz FSOKDHGPBXRNBK-UHFFFAOYSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329703639 410418646 /nfs/dbraw/zinc/41/86/46/410418646.db2.gz ILEZURLPAMPZBJ-RDBSUJKOSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329615806 410385235 /nfs/dbraw/zinc/38/52/35/410385235.db2.gz LBWKREVOKYLSSU-BFHYXJOUSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329615806 410385242 /nfs/dbraw/zinc/38/52/42/410385242.db2.gz LBWKREVOKYLSSU-BFHYXJOUSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329615806 410385248 /nfs/dbraw/zinc/38/52/48/410385248.db2.gz LBWKREVOKYLSSU-BFHYXJOUSA-N 2 2 317.437 1.740 20 30 DDEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329615806 410385251 /nfs/dbraw/zinc/38/52/51/410385251.db2.gz LBWKREVOKYLSSU-BFHYXJOUSA-N 2 2 317.437 1.740 20 30 DDEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(F)(C#N)CC3)cn2)CC1 ZINC000348714121 411063284 /nfs/dbraw/zinc/06/32/84/411063284.db2.gz YBHHMMWDWPDONO-UHFFFAOYSA-N 2 2 318.400 1.056 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373640146 418443339 /nfs/dbraw/zinc/44/33/39/418443339.db2.gz SJTADYLFFPJHMQ-CQSZACIVSA-N 2 2 303.410 1.139 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245716387 222217995 /nfs/dbraw/zinc/21/79/95/222217995.db2.gz UDHFERRSIVFZPH-OAGGEKHMSA-N 2 2 317.437 1.774 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245716387 222217998 /nfs/dbraw/zinc/21/79/98/222217998.db2.gz UDHFERRSIVFZPH-OAGGEKHMSA-N 2 2 317.437 1.774 20 30 DDEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000264130314 222322664 /nfs/dbraw/zinc/32/26/64/222322664.db2.gz UAGPRBBGWQGBBS-KRWDZBQOSA-N 2 2 316.449 1.734 20 30 DDEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCCC1 ZINC000264130314 222322666 /nfs/dbraw/zinc/32/26/66/222322666.db2.gz UAGPRBBGWQGBBS-KRWDZBQOSA-N 2 2 316.449 1.734 20 30 DDEDLP C[NH+]=C(NC[C@]1(C)CCOC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262022615 222271196 /nfs/dbraw/zinc/27/11/96/222271196.db2.gz ZCUYKEZXJHMPMI-ZOBUZTSGSA-N 2 2 319.453 1.768 20 30 DDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NC[C@@H]1CCOC1 ZINC000262819859 222297053 /nfs/dbraw/zinc/29/70/53/222297053.db2.gz PMSZSELFPGTYDC-AWEZNQCLSA-N 2 2 315.421 1.546 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264124954 222322042 /nfs/dbraw/zinc/32/20/42/222322042.db2.gz VZUVUTPTDDWTNS-AWEZNQCLSA-N 2 2 321.444 1.651 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599384 418735067 /nfs/dbraw/zinc/73/50/67/418735067.db2.gz CYKALFJZYUANSG-OWCLPIDISA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599384 418735069 /nfs/dbraw/zinc/73/50/69/418735069.db2.gz CYKALFJZYUANSG-OWCLPIDISA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599384 418735070 /nfs/dbraw/zinc/73/50/70/418735070.db2.gz CYKALFJZYUANSG-OWCLPIDISA-N 2 2 304.438 1.165 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599384 418735072 /nfs/dbraw/zinc/73/50/72/418735072.db2.gz CYKALFJZYUANSG-OWCLPIDISA-N 2 2 304.438 1.165 20 30 DDEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414972757 419902657 /nfs/dbraw/zinc/90/26/57/419902657.db2.gz YCFYFQGTYVJPJX-OAHLLOKOSA-N 2 2 305.422 1.253 20 30 DDEDLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000566116224 421602997 /nfs/dbraw/zinc/60/29/97/421602997.db2.gz JOBYTBCPEOKOOV-DLBZAZTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000566116224 421603001 /nfs/dbraw/zinc/60/30/01/421603001.db2.gz JOBYTBCPEOKOOV-DLBZAZTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000566116224 421603004 /nfs/dbraw/zinc/60/30/04/421603004.db2.gz JOBYTBCPEOKOOV-DLBZAZTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@H]1CCC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000566116224 421603006 /nfs/dbraw/zinc/60/30/06/421603006.db2.gz JOBYTBCPEOKOOV-DLBZAZTESA-N 2 2 324.513 1.683 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000520604644 421758290 /nfs/dbraw/zinc/75/82/90/421758290.db2.gz WLEHLINZFPTOMJ-JKSUJKDBSA-N 2 2 302.422 1.687 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400520 422101452 /nfs/dbraw/zinc/10/14/52/422101452.db2.gz SWLFSIOWTJJWBX-CZUORRHYSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400520 422101460 /nfs/dbraw/zinc/10/14/60/422101460.db2.gz SWLFSIOWTJJWBX-CZUORRHYSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400520 422101463 /nfs/dbraw/zinc/10/14/63/422101463.db2.gz SWLFSIOWTJJWBX-CZUORRHYSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574400520 422101467 /nfs/dbraw/zinc/10/14/67/422101467.db2.gz SWLFSIOWTJJWBX-CZUORRHYSA-N 2 2 312.421 1.763 20 30 DDEDLP C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378344769 267225121 /nfs/dbraw/zinc/22/51/21/267225121.db2.gz CIRMPYLQSDEEPY-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378344769 267225123 /nfs/dbraw/zinc/22/51/23/267225123.db2.gz CIRMPYLQSDEEPY-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365239869 267231993 /nfs/dbraw/zinc/23/19/93/267231993.db2.gz GBECVJGQAHEOAX-YJBOKZPZSA-N 2 2 315.465 1.355 20 30 DDEDLP C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365239869 267231996 /nfs/dbraw/zinc/23/19/96/267231996.db2.gz GBECVJGQAHEOAX-YJBOKZPZSA-N 2 2 315.465 1.355 20 30 DDEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000568630104 308125434 /nfs/dbraw/zinc/12/54/34/308125434.db2.gz BMABTJVNKVKGSU-UHFFFAOYSA-N 2 2 312.421 1.909 20 30 DDEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000568630104 308125435 /nfs/dbraw/zinc/12/54/35/308125435.db2.gz BMABTJVNKVKGSU-UHFFFAOYSA-N 2 2 312.421 1.909 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825341 336260103 /nfs/dbraw/zinc/26/01/03/336260103.db2.gz PHTPWBVDQCSOJB-GOSISDBHSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352825341 336260104 /nfs/dbraw/zinc/26/01/04/336260104.db2.gz PHTPWBVDQCSOJB-GOSISDBHSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352825341 336260105 /nfs/dbraw/zinc/26/01/05/336260105.db2.gz PHTPWBVDQCSOJB-GOSISDBHSA-N 2 2 312.417 1.224 20 30 DDEDLP N#CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825341 336260106 /nfs/dbraw/zinc/26/01/06/336260106.db2.gz PHTPWBVDQCSOJB-GOSISDBHSA-N 2 2 312.417 1.224 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583143829 337245346 /nfs/dbraw/zinc/24/53/46/337245346.db2.gz WPCDRVBZMDILFQ-ZDUSSCGKSA-N 2 2 307.361 1.324 20 30 DDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583143829 337245347 /nfs/dbraw/zinc/24/53/47/337245347.db2.gz WPCDRVBZMDILFQ-ZDUSSCGKSA-N 2 2 307.361 1.324 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000515613566 337994613 /nfs/dbraw/zinc/99/46/13/337994613.db2.gz OSTDBIGWEJGYCH-OAHLLOKOSA-N 2 2 315.421 1.141 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095273 341279531 /nfs/dbraw/zinc/27/95/31/341279531.db2.gz OZWQFLFETAKFEV-HZPDHXFCSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095273 341279532 /nfs/dbraw/zinc/27/95/32/341279532.db2.gz OZWQFLFETAKFEV-HZPDHXFCSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095273 341279533 /nfs/dbraw/zinc/27/95/33/341279533.db2.gz OZWQFLFETAKFEV-HZPDHXFCSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095273 341279534 /nfs/dbraw/zinc/27/95/34/341279534.db2.gz OZWQFLFETAKFEV-HZPDHXFCSA-N 2 2 319.453 1.304 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000566380853 341555986 /nfs/dbraw/zinc/55/59/86/341555986.db2.gz XTIQGSKULGPXPP-HNNXBMFYSA-N 2 2 317.437 1.821 20 30 DDEDLP C=C(C)C[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676310608 486191254 /nfs/dbraw/zinc/19/12/54/486191254.db2.gz GXKQYRRTYJJOKO-UHFFFAOYSA-N 2 2 317.437 1.766 20 30 DDEDLP C#C[C@@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491660295 527235295 /nfs/dbraw/zinc/23/52/95/527235295.db2.gz OIKPUKYMJXUSMA-INIZCTEOSA-N 2 2 320.481 1.648 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347075735 528694204 /nfs/dbraw/zinc/69/42/04/528694204.db2.gz FWHADYNNRWREQQ-GDBMZVCRSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347075735 528694211 /nfs/dbraw/zinc/69/42/11/528694211.db2.gz FWHADYNNRWREQQ-GDBMZVCRSA-N 2 2 316.405 1.543 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347516244 528694434 /nfs/dbraw/zinc/69/44/34/528694434.db2.gz LNVVOWYRZNRMFL-SJORKVTESA-N 2 2 320.481 1.802 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347516244 528694440 /nfs/dbraw/zinc/69/44/40/528694440.db2.gz LNVVOWYRZNRMFL-SJORKVTESA-N 2 2 320.481 1.802 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978363870 696371050 /nfs/dbraw/zinc/37/10/50/696371050.db2.gz CTMMROQZTDKXKQ-TUVASFSCSA-N 2 2 314.433 1.303 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978363870 696371052 /nfs/dbraw/zinc/37/10/52/696371052.db2.gz CTMMROQZTDKXKQ-TUVASFSCSA-N 2 2 314.433 1.303 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978363870 696371053 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GXWOGXKFKJOWDT-HNNXBMFYSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000980475578 696782239 /nfs/dbraw/zinc/78/22/39/696782239.db2.gz GXWOGXKFKJOWDT-HNNXBMFYSA-N 2 2 317.458 1.272 20 30 DDEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000980475578 696782240 /nfs/dbraw/zinc/78/22/40/696782240.db2.gz GXWOGXKFKJOWDT-HNNXBMFYSA-N 2 2 317.458 1.272 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000982036837 697010593 /nfs/dbraw/zinc/01/05/93/697010593.db2.gz YIUGKYFFNSNQBG-UHFFFAOYSA-N 2 2 323.400 1.558 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000982036837 697010595 /nfs/dbraw/zinc/01/05/95/697010595.db2.gz YIUGKYFFNSNQBG-UHFFFAOYSA-N 2 2 323.400 1.558 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000984958859 697445234 /nfs/dbraw/zinc/44/52/34/697445234.db2.gz MVXYBLDIIFQZSD-WKILWMFISA-N 2 2 323.400 1.508 20 30 DDEDLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987068910 697984312 /nfs/dbraw/zinc/98/43/12/697984312.db2.gz PCPSXIJKQPRNBA-CXAGYDPISA-N 2 2 323.400 1.603 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990119616 698960930 /nfs/dbraw/zinc/96/09/30/698960930.db2.gz CVGFAGIPOKOFQY-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990119616 698960932 /nfs/dbraw/zinc/96/09/32/698960932.db2.gz CVGFAGIPOKOFQY-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990119616 698960934 /nfs/dbraw/zinc/96/09/34/698960934.db2.gz CVGFAGIPOKOFQY-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990119616 698960937 /nfs/dbraw/zinc/96/09/37/698960937.db2.gz CVGFAGIPOKOFQY-XYJFISCASA-N 2 2 321.465 1.396 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991443766 699325417 /nfs/dbraw/zinc/32/54/17/699325417.db2.gz CEXWGGHZTYLAJM-YXJHDRRASA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991443766 699325420 /nfs/dbraw/zinc/32/54/20/699325420.db2.gz CEXWGGHZTYLAJM-YXJHDRRASA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991449868 699328154 /nfs/dbraw/zinc/32/81/54/699328154.db2.gz WGNZMRNJDXWKFV-HDMKZQKVSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC000991449868 699328158 /nfs/dbraw/zinc/32/81/58/699328158.db2.gz WGNZMRNJDXWKFV-HDMKZQKVSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000730095685 699500721 /nfs/dbraw/zinc/50/07/21/699500721.db2.gz FQQAHTSBKGCORO-IRXDYDNUSA-N 2 2 317.408 1.642 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000730095685 699500723 /nfs/dbraw/zinc/50/07/23/699500723.db2.gz FQQAHTSBKGCORO-IRXDYDNUSA-N 2 2 317.408 1.642 20 30 DDEDLP c1ccc(N2CCC(=NNC3=[NH+][C@H]4CCCC[C@H]4N3)CC2)[nH+]c1 ZINC000753939464 700469388 /nfs/dbraw/zinc/46/93/88/700469388.db2.gz PCIPOGNFCOXSIR-GASCZTMLSA-N 2 2 312.421 1.898 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC3CCCC3)cn2)CC1 ZINC000808005235 701494074 /nfs/dbraw/zinc/49/40/74/701494074.db2.gz BFIOLQYVWWUCKI-UHFFFAOYSA-N 2 2 302.426 1.342 20 30 DDEDLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866230795 706655253 /nfs/dbraw/zinc/65/52/53/706655253.db2.gz CVUGZUMKSBEGNJ-HNNXBMFYSA-N 2 2 316.449 1.942 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573066 706722577 /nfs/dbraw/zinc/72/25/77/706722577.db2.gz LPLYYHNMCBRQBD-JKSUJKDBSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573066 706722580 /nfs/dbraw/zinc/72/25/80/706722580.db2.gz LPLYYHNMCBRQBD-JKSUJKDBSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573066 706722583 /nfs/dbraw/zinc/72/25/83/706722583.db2.gz LPLYYHNMCBRQBD-JKSUJKDBSA-N 2 2 315.417 1.972 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573066 706722586 /nfs/dbraw/zinc/72/25/86/706722586.db2.gz LPLYYHNMCBRQBD-JKSUJKDBSA-N 2 2 315.417 1.972 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853647113 704292770 /nfs/dbraw/zinc/29/27/70/704292770.db2.gz OSYMHLANVCVVLH-UHFFFAOYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853647113 704292771 /nfs/dbraw/zinc/29/27/71/704292771.db2.gz OSYMHLANVCVVLH-UHFFFAOYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853647113 704292775 /nfs/dbraw/zinc/29/27/75/704292775.db2.gz OSYMHLANVCVVLH-UHFFFAOYSA-N 2 2 317.437 1.195 20 30 DDEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853647113 704292777 /nfs/dbraw/zinc/29/27/77/704292777.db2.gz OSYMHLANVCVVLH-UHFFFAOYSA-N 2 2 317.437 1.195 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000877031088 705966140 /nfs/dbraw/zinc/96/61/40/705966140.db2.gz MAOFZJDNKRYJQE-QGZVFWFLSA-N 2 2 300.406 1.686 20 30 DDEDLP C[NH+]1CCC(CNC(=O)C#CC2CC2)([NH+]2CCCCC2)CC1 ZINC000837438907 707647941 /nfs/dbraw/zinc/64/79/41/707647941.db2.gz FEYPJSNAOHLEPP-UHFFFAOYSA-N 2 2 303.450 1.466 20 30 DDEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(O)C3=O)CC2)C1 ZINC000895162838 711438034 /nfs/dbraw/zinc/43/80/34/711438034.db2.gz OBYCJXOGHODAMM-KBMXLJTQSA-N 2 2 309.454 1.999 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901493 714692181 /nfs/dbraw/zinc/69/21/81/714692181.db2.gz JYUUEIGFRPNJHG-LSDHHAIUSA-N 2 2 308.470 1.847 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901493 714692182 /nfs/dbraw/zinc/69/21/82/714692182.db2.gz JYUUEIGFRPNJHG-LSDHHAIUSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851311 716993053 /nfs/dbraw/zinc/99/30/53/716993053.db2.gz VFCHXUVDDCOJLL-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851311 716993055 /nfs/dbraw/zinc/99/30/55/716993055.db2.gz VFCHXUVDDCOJLL-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942172281 717523327 /nfs/dbraw/zinc/52/33/27/717523327.db2.gz BRJPBUWHVIMRGG-HOCLYGCPSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000942172281 717523332 /nfs/dbraw/zinc/52/33/32/717523332.db2.gz BRJPBUWHVIMRGG-HOCLYGCPSA-N 2 2 315.417 1.483 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180232 717529705 /nfs/dbraw/zinc/52/97/05/717529705.db2.gz FNGWSSJLRVLYSG-ZBFHGGJFSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 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C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021600404 733358459 /nfs/dbraw/zinc/35/84/59/733358459.db2.gz QQQCPFRZACILCU-HOCLYGCPSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112500976 733540129 /nfs/dbraw/zinc/54/01/29/733540129.db2.gz AYWOWMDQMLBPSL-RDJZCZTQSA-N 2 2 300.406 1.125 20 30 DDEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250252 734985161 /nfs/dbraw/zinc/98/51/61/734985161.db2.gz YXGMKFOFXMIWEE-RDJZCZTQSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250252 734985165 /nfs/dbraw/zinc/98/51/65/734985165.db2.gz YXGMKFOFXMIWEE-RDJZCZTQSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250252 734985168 /nfs/dbraw/zinc/98/51/68/734985168.db2.gz YXGMKFOFXMIWEE-RDJZCZTQSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250252 734985174 /nfs/dbraw/zinc/98/51/74/734985174.db2.gz YXGMKFOFXMIWEE-RDJZCZTQSA-N 2 2 303.450 1.465 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451447 735246489 /nfs/dbraw/zinc/24/64/89/735246489.db2.gz HYRGSWFIRYEYHA-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001023451447 735246493 /nfs/dbraw/zinc/24/64/93/735246493.db2.gz HYRGSWFIRYEYHA-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451447 735246496 /nfs/dbraw/zinc/24/64/96/735246496.db2.gz HYRGSWFIRYEYHA-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001023451447 735246498 /nfs/dbraw/zinc/24/64/98/735246498.db2.gz HYRGSWFIRYEYHA-CABCVRRESA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516574 735893985 /nfs/dbraw/zinc/89/39/85/735893985.db2.gz LJQDTDHJVQUHOP-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001024516574 735893990 /nfs/dbraw/zinc/89/39/90/735893990.db2.gz LJQDTDHJVQUHOP-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104737639 736694284 /nfs/dbraw/zinc/69/42/84/736694284.db2.gz MDTLQAUMOWMRPP-OWCLPIDISA-N 2 2 302.422 1.542 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027505869 738358742 /nfs/dbraw/zinc/35/87/42/738358742.db2.gz UMLZWTSCOOJDSS-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027505869 738358745 /nfs/dbraw/zinc/35/87/45/738358745.db2.gz UMLZWTSCOOJDSS-HNNXBMFYSA-N 2 2 304.438 1.852 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131394 739075313 /nfs/dbraw/zinc/07/53/13/739075313.db2.gz IVJODIVTYJRANS-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131394 739075316 /nfs/dbraw/zinc/07/53/16/739075316.db2.gz IVJODIVTYJRANS-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997974757 751433925 /nfs/dbraw/zinc/43/39/25/751433925.db2.gz HRQYDRLPNVCLPC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997974757 751433927 /nfs/dbraw/zinc/43/39/27/751433927.db2.gz HRQYDRLPNVCLPC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997974757 751433929 /nfs/dbraw/zinc/43/39/29/751433929.db2.gz HRQYDRLPNVCLPC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997974757 751433931 /nfs/dbraw/zinc/43/39/31/751433931.db2.gz HRQYDRLPNVCLPC-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721037 740720806 /nfs/dbraw/zinc/72/08/06/740720806.db2.gz YTRRNUMCYYWQCZ-VNHYZAJKSA-N 2 2 302.422 1.985 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087721037 740720807 /nfs/dbraw/zinc/72/08/07/740720807.db2.gz YTRRNUMCYYWQCZ-VNHYZAJKSA-N 2 2 302.422 1.985 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797721 740753591 /nfs/dbraw/zinc/75/35/91/740753591.db2.gz FMACKVQDTLRFOA-JKSUJKDBSA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797721 740753593 /nfs/dbraw/zinc/75/35/93/740753593.db2.gz FMACKVQDTLRFOA-JKSUJKDBSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001088351407 741428760 /nfs/dbraw/zinc/42/87/60/741428760.db2.gz ATJANXKYPHLEEB-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168256450 741851072 /nfs/dbraw/zinc/85/10/72/741851072.db2.gz ULOGBMMIFZIRKL-INIZCTEOSA-N 2 2 321.465 1.159 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961490 742281520 /nfs/dbraw/zinc/28/15/20/742281520.db2.gz PZXGPYIOECHDKA-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961490 742281526 /nfs/dbraw/zinc/28/15/26/742281526.db2.gz PZXGPYIOECHDKA-YQQAZPJKSA-N 2 2 314.433 1.554 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304352 742648521 /nfs/dbraw/zinc/64/85/21/742648521.db2.gz JQEAVIJCKRWBSQ-OWCLPIDISA-N 2 2 300.406 1.390 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001076304352 742648523 /nfs/dbraw/zinc/64/85/23/742648523.db2.gz JQEAVIJCKRWBSQ-OWCLPIDISA-N 2 2 300.406 1.390 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181687523 743282362 /nfs/dbraw/zinc/28/23/62/743282362.db2.gz GEZRSQHWWWTYAG-RHSMWYFYSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181687523 743282367 /nfs/dbraw/zinc/28/23/67/743282367.db2.gz GEZRSQHWWWTYAG-RHSMWYFYSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC001035734492 751828928 /nfs/dbraw/zinc/82/89/28/751828928.db2.gz IEQINVXGUFLFNH-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001105727925 743764751 /nfs/dbraw/zinc/76/47/51/743764751.db2.gz IEOWFKBXFNPMBV-UHFFFAOYSA-N 2 2 323.481 1.596 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184273224 743997650 /nfs/dbraw/zinc/99/76/50/743997650.db2.gz JXQOQXQICAIJEL-HUUCEWRRSA-N 2 2 302.422 1.440 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001184575210 744064030 /nfs/dbraw/zinc/06/40/30/744064030.db2.gz AOZOMCSLSLROLY-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001184575210 744064033 /nfs/dbraw/zinc/06/40/33/744064033.db2.gz AOZOMCSLSLROLY-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651060 744078091 /nfs/dbraw/zinc/07/80/91/744078091.db2.gz BZTGVNBYDVVJJK-KGLIPLIRSA-N 2 2 310.401 1.884 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184651750 744078277 /nfs/dbraw/zinc/07/82/77/744078277.db2.gz HZNZXOYIURIFOW-GDBMZVCRSA-N 2 2 316.449 1.634 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001184652277 744078394 /nfs/dbraw/zinc/07/83/94/744078394.db2.gz MLEOGKOHQCNBBT-LSDHHAIUSA-N 2 2 315.417 1.340 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187993581 744644354 /nfs/dbraw/zinc/64/43/54/744644354.db2.gz CFQOIDCTINKFCM-IAGOWNOFSA-N 2 2 321.465 1.254 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992665997 745093693 /nfs/dbraw/zinc/09/36/93/745093693.db2.gz IAUAGCKGNZYMNX-SOUVJXGZSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009802 745402676 /nfs/dbraw/zinc/40/26/76/745402676.db2.gz INPXHFKTOYYFGE-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001191009802 745402677 /nfs/dbraw/zinc/40/26/77/745402677.db2.gz INPXHFKTOYYFGE-ZBFHGGJFSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191011969 745404775 /nfs/dbraw/zinc/40/47/75/745404775.db2.gz VTQDJMLTLCLHMQ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001191011969 745404776 /nfs/dbraw/zinc/40/47/76/745404776.db2.gz VTQDJMLTLCLHMQ-JKSUJKDBSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191551945 745547634 /nfs/dbraw/zinc/54/76/34/745547634.db2.gz QMSNXPRMVOYZOC-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191551945 745547637 /nfs/dbraw/zinc/54/76/37/745547637.db2.gz QMSNXPRMVOYZOC-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191551945 745547640 /nfs/dbraw/zinc/54/76/40/745547640.db2.gz QMSNXPRMVOYZOC-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191551945 745547643 /nfs/dbraw/zinc/54/76/43/745547643.db2.gz QMSNXPRMVOYZOC-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748372 746025046 /nfs/dbraw/zinc/02/50/46/746025046.db2.gz WIFFNGSVLBWWOX-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748372 746025051 /nfs/dbraw/zinc/02/50/51/746025051.db2.gz WIFFNGSVLBWWOX-RRFJBIMHSA-N 2 2 304.438 1.849 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993527028 746197734 /nfs/dbraw/zinc/19/77/34/746197734.db2.gz 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KMGXSOSEUGOPNK-IHRRRGAJSA-N 2 2 302.422 1.985 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC001179912159 779557134 /nfs/dbraw/zinc/55/71/34/779557134.db2.gz BTLRRMNUXUHZJU-HOCLYGCPSA-N 2 2 323.400 1.483 20 30 DDEDLP C=CC[C@]1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC[NH2+]1 ZINC001118571343 781162266 /nfs/dbraw/zinc/16/22/66/781162266.db2.gz CRYMUHFULTWPMQ-CRAIPNDOSA-N 2 2 316.449 1.900 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267170197 837460049 /nfs/dbraw/zinc/46/00/49/837460049.db2.gz GCQWBBXPJAZNFA-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267170197 837460055 /nfs/dbraw/zinc/46/00/55/837460055.db2.gz GCQWBBXPJAZNFA-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266519966 836404112 /nfs/dbraw/zinc/40/41/12/836404112.db2.gz CHEZWWBKLXRXCG-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266519966 836404122 /nfs/dbraw/zinc/40/41/22/836404122.db2.gz CHEZWWBKLXRXCG-HNNXBMFYSA-N 2 2 302.422 1.388 20 30 DDEDLP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001267092343 837327421 /nfs/dbraw/zinc/32/74/21/837327421.db2.gz AEYZZSAYYYZXTM-JKSUJKDBSA-N 2 2 302.422 1.704 20 30 DDEDLP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585751 838369533 /nfs/dbraw/zinc/36/95/33/838369533.db2.gz BUBNKKYCBGLPAS-CABCVRRESA-N 2 2 302.422 1.412 20 30 DDEDLP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267585751 838369541 /nfs/dbraw/zinc/36/95/41/838369541.db2.gz BUBNKKYCBGLPAS-CABCVRRESA-N 2 2 302.422 1.412 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586194 838370698 /nfs/dbraw/zinc/37/06/98/838370698.db2.gz LYMKEKCWMMBQCC-HOTGVXAUSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267586194 838370701 /nfs/dbraw/zinc/37/07/01/838370701.db2.gz LYMKEKCWMMBQCC-HOTGVXAUSA-N 2 2 314.433 1.249 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001268082386 839661939 /nfs/dbraw/zinc/66/19/39/839661939.db2.gz WDYSWUDYBZPRLT-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001268082386 839661942 /nfs/dbraw/zinc/66/19/42/839661942.db2.gz WDYSWUDYBZPRLT-WBVHZDCISA-N 2 2 321.465 1.090 20 30 DDEDLP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268106848 839695231 /nfs/dbraw/zinc/69/52/31/839695231.db2.gz TXONTMVQUWSIRJ-RRFJBIMHSA-N 2 2 302.422 1.657 20 30 DDEDLP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268106848 839695240 /nfs/dbraw/zinc/69/52/40/839695240.db2.gz TXONTMVQUWSIRJ-RRFJBIMHSA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001268181908 839804466 /nfs/dbraw/zinc/80/44/66/839804466.db2.gz YRAFXHIMGJYQSV-LSDHHAIUSA-N 2 2 316.449 1.927 20 30 DDEDLP CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001272080232 844561392 /nfs/dbraw/zinc/56/13/92/844561392.db2.gz KONMSLVDKOAVRJ-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001272080232 844561395 /nfs/dbraw/zinc/56/13/95/844561395.db2.gz KONMSLVDKOAVRJ-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001272080232 844561404 /nfs/dbraw/zinc/56/14/04/844561404.db2.gz KONMSLVDKOAVRJ-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001272080232 844561414 /nfs/dbraw/zinc/56/14/14/844561414.db2.gz KONMSLVDKOAVRJ-GOSISDBHSA-N 2 2 313.445 1.523 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001269785454 842049582 /nfs/dbraw/zinc/04/95/82/842049582.db2.gz NHDXVMZYOIJLKJ-CQSZACIVSA-N 2 2 324.856 1.933 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001279138736 843188468 /nfs/dbraw/zinc/18/84/68/843188468.db2.gz ROTYFROKYDMZHI-GJZGRUSLSA-N 2 2 304.438 1.613 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]c(C)n1C ZINC001272773006 847406553 /nfs/dbraw/zinc/40/65/53/847406553.db2.gz ZPDQRPRRJHKEFZ-KRWDZBQOSA-N 2 2 302.422 1.872 20 30 DDEDLP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]c(C)n1C ZINC001272773006 847406559 /nfs/dbraw/zinc/40/65/59/847406559.db2.gz ZPDQRPRRJHKEFZ-KRWDZBQOSA-N 2 2 302.422 1.872 20 30 DDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277730 848234582 /nfs/dbraw/zinc/23/45/82/848234582.db2.gz CYDSLDNZIKLBHE-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001034277730 848234588 /nfs/dbraw/zinc/23/45/88/848234588.db2.gz CYDSLDNZIKLBHE-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327226171 861977765 /nfs/dbraw/zinc/97/77/65/861977765.db2.gz XICMSRACOBYONJ-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327226171 861977777 /nfs/dbraw/zinc/97/77/77/861977777.db2.gz XICMSRACOBYONJ-HNNXBMFYSA-N 2 2 304.438 1.802 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001411250541 850482645 /nfs/dbraw/zinc/48/26/45/850482645.db2.gz ZUKLBNAAAPOHJI-JKDOVBDQSA-N 2 2 310.829 1.920 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785820 851344163 /nfs/dbraw/zinc/34/41/63/851344163.db2.gz ZETUACSIUBRAQG-KRWDZBQOSA-N 2 2 316.405 1.300 20 30 DDEDLP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785820 851344171 /nfs/dbraw/zinc/34/41/71/851344171.db2.gz ZETUACSIUBRAQG-KRWDZBQOSA-N 2 2 316.405 1.300 20 30 DDEDLP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275914004 853936438 /nfs/dbraw/zinc/93/64/38/853936438.db2.gz WRUCBVRQUFFDEO-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275914004 853936442 /nfs/dbraw/zinc/93/64/42/853936442.db2.gz WRUCBVRQUFFDEO-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275914004 853936448 /nfs/dbraw/zinc/93/64/48/853936448.db2.gz WRUCBVRQUFFDEO-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275914004 853936452 /nfs/dbraw/zinc/93/64/52/853936452.db2.gz WRUCBVRQUFFDEO-HOCLYGCPSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+]1CCC(CCOC)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001151155758 862655545 /nfs/dbraw/zinc/65/55/45/862655545.db2.gz NZTUSCSYZIKIRN-UHFFFAOYSA-N 2 2 320.437 1.516 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553169 856968027 /nfs/dbraw/zinc/96/80/27/856968027.db2.gz SJMUPWITMDDXND-IAGOWNOFSA-N 2 2 308.385 1.875 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553169 856968030 /nfs/dbraw/zinc/96/80/30/856968030.db2.gz SJMUPWITMDDXND-IAGOWNOFSA-N 2 2 308.385 1.875 20 30 DDEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001328426739 862966784 /nfs/dbraw/zinc/96/67/84/862966784.db2.gz FYUHQBUWLFZYOI-HNNXBMFYSA-N 2 2 312.417 1.693 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001122135814 858695268 /nfs/dbraw/zinc/69/52/68/858695268.db2.gz WGNKFYWAPVOXPN-UHFFFAOYSA-N 2 2 302.422 1.556 20 30 DDEDLP C[NH+](C)CCN1CC[N@H+](Cc2cc(F)cc(C#N)c2)CCC1=O ZINC001139876276 860505362 /nfs/dbraw/zinc/50/53/62/860505362.db2.gz PMFQPLSSCJYBCJ-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2cc(F)cc(C#N)c2)CCC1=O ZINC001139876276 860505368 /nfs/dbraw/zinc/50/53/68/860505368.db2.gz PMFQPLSSCJYBCJ-UHFFFAOYSA-N 2 2 318.396 1.293 20 30 DDEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345546 863840287 /nfs/dbraw/zinc/84/02/87/863840287.db2.gz ZWQRVQJCZDSVOG-UHFFFAOYSA-N 2 2 311.389 1.441 20 30 DDEDLP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001381433182 881757833 /nfs/dbraw/zinc/75/78/33/881757833.db2.gz HXAOWWOXDVPXSZ-NXEZZACHSA-N 2 2 315.215 1.344 20 30 DDEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCCSC3)cn2)CC1 ZINC001330910196 864695217 /nfs/dbraw/zinc/69/52/17/864695217.db2.gz JOANUFZLTJKUBL-AWEZNQCLSA-N 2 2 320.466 1.048 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]1C ZINC001331894797 865419013 /nfs/dbraw/zinc/41/90/13/865419013.db2.gz DIICJJRZMWQQDF-HIFRSBDPSA-N 2 2 303.406 1.788 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001332098824 865575433 /nfs/dbraw/zinc/57/54/33/865575433.db2.gz GNRDUZWRLYTQJG-WBVHZDCISA-N 2 2 300.406 1.410 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001332098824 865575440 /nfs/dbraw/zinc/57/54/40/865575440.db2.gz GNRDUZWRLYTQJG-WBVHZDCISA-N 2 2 300.406 1.410 20 30 DDEDLP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001332397180 865812609 /nfs/dbraw/zinc/81/26/09/865812609.db2.gz HIBBTLZKOJGUQF-ZBFHGGJFSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CCC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001333070208 866391068 /nfs/dbraw/zinc/39/10/68/866391068.db2.gz FKDQSCJSAZDNSX-UHFFFAOYSA-N 2 2 310.401 1.859 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001320151679 866516615 /nfs/dbraw/zinc/51/66/15/866516615.db2.gz RIZARWMLZGGQBO-GJZGRUSLSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CC)CC1 ZINC001324407769 867262780 /nfs/dbraw/zinc/26/27/80/867262780.db2.gz NDNMFUGGSWFVQT-UHFFFAOYSA-N 2 2 310.401 1.894 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324659138 867432951 /nfs/dbraw/zinc/43/29/51/867432951.db2.gz ZMNLNCVANOICKZ-WBVHZDCISA-N 2 2 318.421 1.065 20 30 DDEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001324659138 867432956 /nfs/dbraw/zinc/43/29/56/867432956.db2.gz ZMNLNCVANOICKZ-WBVHZDCISA-N 2 2 318.421 1.065 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001164600879 869319561 /nfs/dbraw/zinc/31/95/61/869319561.db2.gz YZDIPYQYXWJHEM-UHFFFAOYSA-N 2 2 316.449 1.824 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001166390454 869977623 /nfs/dbraw/zinc/97/76/23/869977623.db2.gz LPCAGMRELYWDPT-INIZCTEOSA-N 2 2 323.481 1.549 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001166390454 869977632 /nfs/dbraw/zinc/97/76/32/869977632.db2.gz LPCAGMRELYWDPT-INIZCTEOSA-N 2 2 323.481 1.549 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205284502 871484624 /nfs/dbraw/zinc/48/46/24/871484624.db2.gz MYAYXYYAHSKLEH-UHFFFAOYSA-N 2 2 310.401 1.718 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317529955 871743822 /nfs/dbraw/zinc/74/38/22/871743822.db2.gz YYALPMURKTVJLD-HNNXBMFYSA-N 2 2 304.438 1.941 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317529955 871743832 /nfs/dbraw/zinc/74/38/32/871743832.db2.gz YYALPMURKTVJLD-HNNXBMFYSA-N 2 2 304.438 1.941 20 30 DDEDLP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001318714075 872223195 /nfs/dbraw/zinc/22/31/95/872223195.db2.gz OVOPCCUZPLKFDG-IIDMSEBBSA-N 2 2 316.449 1.974 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533211 872418631 /nfs/dbraw/zinc/41/86/31/872418631.db2.gz BJSUSTJWNGLNOQ-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533211 872418637 /nfs/dbraw/zinc/41/86/37/872418637.db2.gz BJSUSTJWNGLNOQ-AWEZNQCLSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001319322595 872571822 /nfs/dbraw/zinc/57/18/22/872571822.db2.gz NFBYJGXRZUDEOZ-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001319322595 872571830 /nfs/dbraw/zinc/57/18/30/872571830.db2.gz NFBYJGXRZUDEOZ-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319620935 872722710 /nfs/dbraw/zinc/72/27/10/872722710.db2.gz QOKDJLDCVDNMGE-CABCVRRESA-N 2 2 304.438 1.752 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886368 882701204 /nfs/dbraw/zinc/70/12/04/882701204.db2.gz YYNCSTSFKCMISX-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226886368 882701215 /nfs/dbraw/zinc/70/12/15/882701215.db2.gz YYNCSTSFKCMISX-KBUPBQIOSA-N 2 2 300.406 1.554 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411034 874120310 /nfs/dbraw/zinc/12/03/10/874120310.db2.gz LFYQPCJPXFCJJP-HNNXBMFYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446947 874148310 /nfs/dbraw/zinc/14/83/10/874148310.db2.gz DNSYKXXTMMIXIS-CABCVRRESA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162987 874299960 /nfs/dbraw/zinc/29/99/60/874299960.db2.gz FNXBUNDFFGRBGJ-GFCCVEGCSA-N 2 2 318.259 1.379 20 30 DDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001378162987 874299968 /nfs/dbraw/zinc/29/99/68/874299968.db2.gz FNXBUNDFFGRBGJ-GFCCVEGCSA-N 2 2 318.259 1.379 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001208737842 874429340 /nfs/dbraw/zinc/42/93/40/874429340.db2.gz BVKUSKLOQYBTRR-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001208737842 874429344 /nfs/dbraw/zinc/42/93/44/874429344.db2.gz BVKUSKLOQYBTRR-DLBZAZTESA-N 2 2 321.465 1.091 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001210303303 875321072 /nfs/dbraw/zinc/32/10/72/875321072.db2.gz KCTMYWRCOMAGRH-KRWDZBQOSA-N 2 2 322.412 1.585 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001211294048 875746683 /nfs/dbraw/zinc/74/66/83/875746683.db2.gz XICMNBIZGHMKOL-IAGOWNOFSA-N 2 2 314.433 1.288 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001378841748 875750801 /nfs/dbraw/zinc/75/08/01/875750801.db2.gz RCKRBBSXPCNTHG-IHRRRGAJSA-N 2 2 322.840 1.682 20 30 DDEDLP N#Cc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(F)cc1F ZINC001222105254 880260154 /nfs/dbraw/zinc/26/01/54/880260154.db2.gz XYGJIONKIMVDDS-UHFFFAOYSA-N 2 2 306.360 1.364 20 30 DDEDLP N#Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(F)cc1F ZINC001222105254 880260164 /nfs/dbraw/zinc/26/01/64/880260164.db2.gz XYGJIONKIMVDDS-UHFFFAOYSA-N 2 2 306.360 1.364 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402330 887939544 /nfs/dbraw/zinc/93/95/44/887939544.db2.gz KUKNTKYCOHZJOT-JKSUJKDBSA-N 2 2 316.449 1.953 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234402330 887939550 /nfs/dbraw/zinc/93/95/50/887939550.db2.gz KUKNTKYCOHZJOT-JKSUJKDBSA-N 2 2 316.449 1.953 20 30 DDEDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001246153829 892448946 /nfs/dbraw/zinc/44/89/46/892448946.db2.gz SYFNPGUBBYMQKU-CJNGLKHVSA-N 2 2 303.406 1.749 20 30 DDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001366970458 895459702 /nfs/dbraw/zinc/45/97/02/895459702.db2.gz CZFQODIHEYOSTA-UHFFFAOYSA-N 2 2 323.400 1.393 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366990464 895506249 /nfs/dbraw/zinc/50/62/49/895506249.db2.gz GXPROXLSFZCAIG-OAHLLOKOSA-N 2 2 313.873 1.907 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001279038851 897929823 /nfs/dbraw/zinc/92/98/23/897929823.db2.gz NVIODNXWALVIPI-GJZGRUSLSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001279625021 903360997 /nfs/dbraw/zinc/36/09/97/903360997.db2.gz YKIAMXSZIVSREN-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001279625021 903361006 /nfs/dbraw/zinc/36/10/06/903361006.db2.gz YKIAMXSZIVSREN-DOTOQJQBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001280411665 903645879 /nfs/dbraw/zinc/64/58/79/903645879.db2.gz CEEWCZBXZWZRLN-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001280411665 903645884 /nfs/dbraw/zinc/64/58/84/903645884.db2.gz CEEWCZBXZWZRLN-OAHLLOKOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001370779282 903726624 /nfs/dbraw/zinc/72/66/24/903726624.db2.gz GUUCJOSSWQWDLL-CYBMUJFWSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001370779282 903726631 /nfs/dbraw/zinc/72/66/31/903726631.db2.gz GUUCJOSSWQWDLL-CYBMUJFWSA-N 2 2 310.829 1.543 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001282724933 905988247 /nfs/dbraw/zinc/98/82/47/905988247.db2.gz LVYSYXWBAKATDD-CQSZACIVSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393376284 906830213 /nfs/dbraw/zinc/83/02/13/906830213.db2.gz GKCJHNBOIBGYLZ-CHWSQXEVSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393376284 906830221 /nfs/dbraw/zinc/83/02/21/906830221.db2.gz GKCJHNBOIBGYLZ-CHWSQXEVSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372553656 907551586 /nfs/dbraw/zinc/55/15/86/907551586.db2.gz KKMNEDRKYSFTHE-ZIAGYGMSSA-N 2 2 301.862 1.906 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283677126 907779098 /nfs/dbraw/zinc/77/90/98/907779098.db2.gz HKBAVZIHGRSWTB-RRFJBIMHSA-N 2 2 304.438 1.926 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284069096 908421978 /nfs/dbraw/zinc/42/19/78/908421978.db2.gz GHPHNZDEZVWANZ-DOTOQJQBSA-N 2 2 300.406 1.410 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001284069096 908421987 /nfs/dbraw/zinc/42/19/87/908421987.db2.gz GHPHNZDEZVWANZ-DOTOQJQBSA-N 2 2 300.406 1.410 20 30 DDEDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000330596553 231937741 /nfs/dbraw/zinc/93/77/41/231937741.db2.gz CXSJIGDUHAWBEJ-UHFFFAOYSA-N 2 2 306.435 1.832 20 30 DDEDLP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000564411675 303996862 /nfs/dbraw/zinc/99/68/62/303996862.db2.gz WOZMAKASFMZYMQ-HUUCEWRRSA-N 2 2 320.462 1.872 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052875859 352629556 /nfs/dbraw/zinc/62/95/56/352629556.db2.gz VMDHOBMYDRSXDF-UHFFFAOYSA-N 2 2 314.433 1.543 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052875859 352629561 /nfs/dbraw/zinc/62/95/61/352629561.db2.gz VMDHOBMYDRSXDF-UHFFFAOYSA-N 2 2 314.433 1.543 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629887 356583977 /nfs/dbraw/zinc/58/39/77/356583977.db2.gz PENDGZANOWCZLH-UHFFFAOYSA-N 2 2 301.419 1.718 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905863 356699705 /nfs/dbraw/zinc/69/97/05/356699705.db2.gz HYKRWWZPQYFZJP-CVEARBPZSA-N 2 2 324.469 1.037 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905863 356699707 /nfs/dbraw/zinc/69/97/07/356699707.db2.gz HYKRWWZPQYFZJP-CVEARBPZSA-N 2 2 324.469 1.037 20 30 DDEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329735015 223020543 /nfs/dbraw/zinc/02/05/43/223020543.db2.gz KQEOGLNJGOXSOB-HABKJSAYSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329735015 223020546 /nfs/dbraw/zinc/02/05/46/223020546.db2.gz KQEOGLNJGOXSOB-HABKJSAYSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329735015 223020547 /nfs/dbraw/zinc/02/05/47/223020547.db2.gz KQEOGLNJGOXSOB-HABKJSAYSA-N 2 2 317.437 1.738 20 30 DDEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329735015 223020550 /nfs/dbraw/zinc/02/05/50/223020550.db2.gz KQEOGLNJGOXSOB-HABKJSAYSA-N 2 2 317.437 1.738 20 30 DDEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)CCOCC1 ZINC000600742302 358303926 /nfs/dbraw/zinc/30/39/26/358303926.db2.gz UPZNIBLULSRYCR-OAHLLOKOSA-N 2 2 318.421 1.380 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000602550342 359040438 /nfs/dbraw/zinc/04/04/38/359040438.db2.gz AQORBNWHYYQVDG-CQSZACIVSA-N 2 2 300.406 1.544 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000602652983 359103265 /nfs/dbraw/zinc/10/32/65/359103265.db2.gz FYLPQROTCSAZQM-HNSVSWJLSA-N 2 2 306.454 1.599 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000602652983 359103269 /nfs/dbraw/zinc/10/32/69/359103269.db2.gz FYLPQROTCSAZQM-HNSVSWJLSA-N 2 2 306.454 1.599 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602950833 359316549 /nfs/dbraw/zinc/31/65/49/359316549.db2.gz OIIIQUIDHGGESM-HNNXBMFYSA-N 2 2 306.454 1.697 20 30 DDEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000272915389 210302114 /nfs/dbraw/zinc/30/21/14/210302114.db2.gz SCOZZLYWQYYXSW-UHFFFAOYSA-N 2 2 319.424 1.724 20 30 DDEDLP CCN1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1=O ZINC000329913315 285223005 /nfs/dbraw/zinc/22/30/05/285223005.db2.gz ORLISICCNBYHRB-UHFFFAOYSA-N 2 2 322.453 1.124 20 30 DDEDLP CCN1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1=O ZINC000329913315 285223007 /nfs/dbraw/zinc/22/30/07/285223007.db2.gz ORLISICCNBYHRB-UHFFFAOYSA-N 2 2 322.453 1.124 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1(C#N)CCCCC1 ZINC000124431012 407358262 /nfs/dbraw/zinc/35/82/62/407358262.db2.gz ILPNMUWNJKXOIA-UHFFFAOYSA-N 2 2 303.410 1.548 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1(C#N)CCCCC1 ZINC000124431012 407358264 /nfs/dbraw/zinc/35/82/64/407358264.db2.gz ILPNMUWNJKXOIA-UHFFFAOYSA-N 2 2 303.410 1.548 20 30 DDEDLP Cn1cc[nH+]c1N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000266948035 407686696 /nfs/dbraw/zinc/68/66/96/407686696.db2.gz SYNQDMCPUWLEPD-UHFFFAOYSA-N 2 2 311.389 1.493 20 30 DDEDLP C=CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181030634 407949054 /nfs/dbraw/zinc/94/90/54/407949054.db2.gz OFQVOALQSXKDNW-DLBZAZTESA-N 2 2 321.465 1.254 20 30 DDEDLP C#CCC[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277637813 408982143 /nfs/dbraw/zinc/98/21/43/408982143.db2.gz XNMSVWKXUWQIKK-UHFFFAOYSA-N 2 2 317.462 1.175 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297487854 409920538 /nfs/dbraw/zinc/92/05/38/409920538.db2.gz NCBRYVNOOJLXNN-HOTGVXAUSA-N 2 2 317.437 1.431 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297487854 409920543 /nfs/dbraw/zinc/92/05/43/409920543.db2.gz NCBRYVNOOJLXNN-HOTGVXAUSA-N 2 2 317.437 1.431 20 30 DDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328865913 409994831 /nfs/dbraw/zinc/99/48/31/409994831.db2.gz NNJWQRUHAYCFNJ-LSDHHAIUSA-N 2 2 319.453 1.998 20 30 DDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328865913 409994837 /nfs/dbraw/zinc/99/48/37/409994837.db2.gz NNJWQRUHAYCFNJ-LSDHHAIUSA-N 2 2 319.453 1.998 20 30 DDEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000330236299 410596858 /nfs/dbraw/zinc/59/68/58/410596858.db2.gz AEEWCNSWUQBBIU-MGPQQGTHSA-N 2 2 303.410 1.138 20 30 DDEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000330236299 410596861 /nfs/dbraw/zinc/59/68/61/410596861.db2.gz AEEWCNSWUQBBIU-MGPQQGTHSA-N 2 2 303.410 1.138 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361117197 418586734 /nfs/dbraw/zinc/58/67/34/418586734.db2.gz IIVLWZSIFQQCIQ-YJBOKZPZSA-N 2 2 324.465 1.975 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283111 222242597 /nfs/dbraw/zinc/24/25/97/222242597.db2.gz IGEJJCNEYOFKBV-IXDOHACOSA-N 2 2 322.497 1.168 20 30 DDEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283111 222242601 /nfs/dbraw/zinc/24/26/01/222242601.db2.gz IGEJJCNEYOFKBV-IXDOHACOSA-N 2 2 322.497 1.168 20 30 DDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264138883 222324939 /nfs/dbraw/zinc/32/49/39/222324939.db2.gz VTUQEKPFDSMGGE-UONOGXRCSA-N 2 2 308.426 1.746 20 30 DDEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262767586 222292479 /nfs/dbraw/zinc/29/24/79/222292479.db2.gz GRANBBBWMKJFLJ-UHFFFAOYSA-N 2 2 321.856 1.482 20 30 DDEDLP C=C(C)CNC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264076282 222314181 /nfs/dbraw/zinc/31/41/81/222314181.db2.gz FRYLOHZBBZYFNL-UHFFFAOYSA-N 2 2 319.428 1.428 20 30 DDEDLP CC(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264080795 222314393 /nfs/dbraw/zinc/31/43/93/222314393.db2.gz HCXFSVGQYIMGHU-UHFFFAOYSA-N 2 2 304.438 1.579 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000368137185 418695150 /nfs/dbraw/zinc/69/51/50/418695150.db2.gz YAPADCRAKOHZKT-CQSZACIVSA-N 2 2 306.373 1.929 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000368137185 418695153 /nfs/dbraw/zinc/69/51/53/418695153.db2.gz YAPADCRAKOHZKT-CQSZACIVSA-N 2 2 306.373 1.929 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000376731688 418700292 /nfs/dbraw/zinc/70/02/92/418700292.db2.gz AFXKZPZRSYUGID-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376731688 418700294 /nfs/dbraw/zinc/70/02/94/418700294.db2.gz AFXKZPZRSYUGID-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369816483 418738332 /nfs/dbraw/zinc/73/83/32/418738332.db2.gz TVCBGNGGKATIML-CABCVRRESA-N 2 2 322.453 1.195 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369816483 418738333 /nfs/dbraw/zinc/73/83/33/418738333.db2.gz TVCBGNGGKATIML-CABCVRRESA-N 2 2 322.453 1.195 20 30 DDEDLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)CC1 ZINC000364350215 418776821 /nfs/dbraw/zinc/77/68/21/418776821.db2.gz DEHJEVJKOWLIRF-KRWDZBQOSA-N 2 2 322.497 1.655 20 30 DDEDLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)CC1 ZINC000364350215 418776822 /nfs/dbraw/zinc/77/68/22/418776822.db2.gz DEHJEVJKOWLIRF-KRWDZBQOSA-N 2 2 322.497 1.655 20 30 DDEDLP C=CCCCCC[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365364821 418854007 /nfs/dbraw/zinc/85/40/07/418854007.db2.gz NOSASRQUDSWQHQ-MRXNPFEDSA-N 2 2 314.495 1.974 20 30 DDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365279469 418849032 /nfs/dbraw/zinc/84/90/32/418849032.db2.gz YQWPCJXTINOEFZ-QUCCMNQESA-N 2 2 311.473 1.996 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365279469 418849033 /nfs/dbraw/zinc/84/90/33/418849033.db2.gz YQWPCJXTINOEFZ-QUCCMNQESA-N 2 2 311.473 1.996 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429009258 419961406 /nfs/dbraw/zinc/96/14/06/419961406.db2.gz NVNLKNWSSYRZQW-PVAVHDDUSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429009258 419961409 /nfs/dbraw/zinc/96/14/09/419961409.db2.gz NVNLKNWSSYRZQW-PVAVHDDUSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429009258 419961412 /nfs/dbraw/zinc/96/14/12/419961412.db2.gz NVNLKNWSSYRZQW-PVAVHDDUSA-N 2 2 306.454 1.457 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429009258 419961417 /nfs/dbraw/zinc/96/14/17/419961417.db2.gz NVNLKNWSSYRZQW-PVAVHDDUSA-N 2 2 306.454 1.457 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450366108 421189537 /nfs/dbraw/zinc/18/95/37/421189537.db2.gz SMNOKSMLOUOMCJ-OIISXLGYSA-N 2 2 321.465 1.204 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450366108 421189539 /nfs/dbraw/zinc/18/95/39/421189539.db2.gz SMNOKSMLOUOMCJ-OIISXLGYSA-N 2 2 321.465 1.204 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000570624806 421657706 /nfs/dbraw/zinc/65/77/06/421657706.db2.gz IPTOXPPHMUUTQF-WBVHZDCISA-N 2 2 306.454 1.065 20 30 DDEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000570624806 421657708 /nfs/dbraw/zinc/65/77/08/421657708.db2.gz IPTOXPPHMUUTQF-WBVHZDCISA-N 2 2 306.454 1.065 20 30 DDEDLP N#CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000566027728 421602415 /nfs/dbraw/zinc/60/24/15/421602415.db2.gz CBPJZJAEHYWTNQ-UHFFFAOYSA-N 2 2 323.400 1.558 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNc1nc(C#N)c(Cl)s1 ZINC000596425588 422375580 /nfs/dbraw/zinc/37/55/80/422375580.db2.gz RJROECWQPFKHNU-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C#N)c(Cl)s1 ZINC000596425588 422375584 /nfs/dbraw/zinc/37/55/84/422375584.db2.gz RJROECWQPFKHNU-UHFFFAOYSA-N 2 2 301.847 1.964 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651273276 423466029 /nfs/dbraw/zinc/46/60/29/423466029.db2.gz IDDWPGAGBZECGR-UHFFFAOYSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324126 424573847 /nfs/dbraw/zinc/57/38/47/424573847.db2.gz VCLQMJUAMYRILO-IRXDYDNUSA-N 2 2 323.481 1.618 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324126 424573852 /nfs/dbraw/zinc/57/38/52/424573852.db2.gz VCLQMJUAMYRILO-IRXDYDNUSA-N 2 2 323.481 1.618 20 30 DDEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C#N)cs1 ZINC000356328963 266046773 /nfs/dbraw/zinc/04/67/73/266046773.db2.gz AQASSBLEHOZUOS-UHFFFAOYSA-N 2 2 321.494 1.864 20 30 DDEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C#N)cs1 ZINC000356328963 266046778 /nfs/dbraw/zinc/04/67/78/266046778.db2.gz AQASSBLEHOZUOS-UHFFFAOYSA-N 2 2 321.494 1.864 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365308 280101433 /nfs/dbraw/zinc/10/14/33/280101433.db2.gz AFZCMJZNCWIEPT-FUHWJXTLSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365308 280101436 /nfs/dbraw/zinc/10/14/36/280101436.db2.gz AFZCMJZNCWIEPT-FUHWJXTLSA-N 2 2 320.481 1.991 20 30 DDEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000367527076 300855361 /nfs/dbraw/zinc/85/53/61/300855361.db2.gz MHNTYOZKIOHODX-UHFFFAOYSA-N 2 2 316.434 1.465 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000558411450 331904031 /nfs/dbraw/zinc/90/40/31/331904031.db2.gz WEMXQFXDBLOTOW-MRXNPFEDSA-N 2 2 304.438 1.777 20 30 DDEDLP C=CCOCCC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000656708581 484289155 /nfs/dbraw/zinc/28/91/55/484289155.db2.gz HDMUHGKFLHKEPD-GOSISDBHSA-N 2 2 304.434 1.588 20 30 DDEDLP C=CCOCCC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000656708581 484289162 /nfs/dbraw/zinc/28/91/62/484289162.db2.gz HDMUHGKFLHKEPD-GOSISDBHSA-N 2 2 304.434 1.588 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668369771 485136128 /nfs/dbraw/zinc/13/61/28/485136128.db2.gz DWGLXFJZVKDKPA-CYBMUJFWSA-N 2 2 302.422 1.671 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668369771 485136133 /nfs/dbraw/zinc/13/61/33/485136133.db2.gz DWGLXFJZVKDKPA-CYBMUJFWSA-N 2 2 302.422 1.671 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC000329792465 533761357 /nfs/dbraw/zinc/76/13/57/533761357.db2.gz ADYYRYGQNLAXNJ-TZMCWYRMSA-N 2 2 305.426 1.986 20 30 DDEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC000329792465 533761364 /nfs/dbraw/zinc/76/13/64/533761364.db2.gz ADYYRYGQNLAXNJ-TZMCWYRMSA-N 2 2 305.426 1.986 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346204371 526840512 /nfs/dbraw/zinc/84/05/12/526840512.db2.gz BEDIHVUQXCPXJZ-HZPDHXFCSA-N 2 2 309.454 1.110 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974738599 695722806 /nfs/dbraw/zinc/72/28/06/695722806.db2.gz IWSKIBQYHBVGTH-HNNXBMFYSA-N 2 2 316.449 1.777 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974738599 695722808 /nfs/dbraw/zinc/72/28/08/695722808.db2.gz IWSKIBQYHBVGTH-HNNXBMFYSA-N 2 2 316.449 1.777 20 30 DDEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCSCC1 ZINC000104178819 696619239 /nfs/dbraw/zinc/61/92/39/696619239.db2.gz RPRUQHIISFDGQU-UHFFFAOYSA-N 2 2 319.409 1.875 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958908 696986036 /nfs/dbraw/zinc/98/60/36/696986036.db2.gz IRANYDAXMRKILT-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958908 696986039 /nfs/dbraw/zinc/98/60/39/696986039.db2.gz IRANYDAXMRKILT-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989493700 698643742 /nfs/dbraw/zinc/64/37/42/698643742.db2.gz VNHCFXZVINTISN-SUMWQHHRSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000989558428 698666767 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1.256 20 30 DDEDLP C#C[C@H](CCC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000791025713 699607511 /nfs/dbraw/zinc/60/75/11/699607511.db2.gz FBDWKERYXFHHAD-HUUCEWRRSA-N 2 2 306.454 1.256 20 30 DDEDLP C#CC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000842636588 702747119 /nfs/dbraw/zinc/74/71/19/702747119.db2.gz IZKBTUYVPWVAOB-QGZVFWFLSA-N 2 2 303.406 1.206 20 30 DDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848410286 703547403 /nfs/dbraw/zinc/54/74/03/703547403.db2.gz JVGXLUZQSSIJQY-KBPBESRZSA-N 2 2 305.426 1.825 20 30 DDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000866659940 706755675 /nfs/dbraw/zinc/75/56/75/706755675.db2.gz YJPOWLWBUQWKEG-LRDDRELGSA-N 2 2 301.390 1.832 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000854078901 704353929 /nfs/dbraw/zinc/35/39/29/704353929.db2.gz RVAXPBIWZBAWIO-INIZCTEOSA-N 2 2 320.481 1.600 20 30 DDEDLP C#C[C@@H](CC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000854078901 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1.254 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155941 762266352 /nfs/dbraw/zinc/26/63/52/762266352.db2.gz WEMVVUBONDCDQM-FICVDOATSA-N 2 2 305.422 1.780 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155941 762266357 /nfs/dbraw/zinc/26/63/57/762266357.db2.gz WEMVVUBONDCDQM-FICVDOATSA-N 2 2 305.422 1.780 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001014451062 755742132 /nfs/dbraw/zinc/74/21/32/755742132.db2.gz JWBICBVEGSQKER-OWCLPIDISA-N 2 2 314.433 1.530 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001014451062 755742135 /nfs/dbraw/zinc/74/21/35/755742135.db2.gz JWBICBVEGSQKER-OWCLPIDISA-N 2 2 314.433 1.530 20 30 DDEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014503432 755764906 /nfs/dbraw/zinc/76/49/06/755764906.db2.gz RUXGFRBZLGKUNS-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014503432 755764907 /nfs/dbraw/zinc/76/49/07/755764907.db2.gz RUXGFRBZLGKUNS-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503432 755764909 /nfs/dbraw/zinc/76/49/09/755764909.db2.gz RUXGFRBZLGKUNS-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503432 755764912 /nfs/dbraw/zinc/76/49/12/755764912.db2.gz RUXGFRBZLGKUNS-BBRMVZONSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081853883 756517328 /nfs/dbraw/zinc/51/73/28/756517328.db2.gz SSPFGUXJZRTXHZ-HUUCEWRRSA-N 2 2 300.362 1.178 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081853883 756517331 /nfs/dbraw/zinc/51/73/31/756517331.db2.gz SSPFGUXJZRTXHZ-HUUCEWRRSA-N 2 2 300.362 1.178 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 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DCTWMRACHAXPLG-JKSUJKDBSA-N 2 2 318.421 1.151 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452780 757573222 /nfs/dbraw/zinc/57/32/22/757573222.db2.gz WWYJSAHBYOFIAS-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452780 757573229 /nfs/dbraw/zinc/57/32/29/757573229.db2.gz WWYJSAHBYOFIAS-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001113099 762560202 /nfs/dbraw/zinc/56/02/02/762560202.db2.gz PBZDGMUHWYPBHS-UHFFFAOYSA-N 2 2 311.857 1.829 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001113099 762560209 /nfs/dbraw/zinc/56/02/09/762560209.db2.gz PBZDGMUHWYPBHS-UHFFFAOYSA-N 2 2 311.857 1.829 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700279 757660960 /nfs/dbraw/zinc/66/09/60/757660960.db2.gz KOWJSBBKIHDFAP-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700279 757660968 /nfs/dbraw/zinc/66/09/68/757660968.db2.gz KOWJSBBKIHDFAP-CABCVRRESA-N 2 2 314.433 1.824 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614361 757710376 /nfs/dbraw/zinc/71/03/76/757710376.db2.gz SEVOZTXZLYRUPO-GDBMZVCRSA-N 2 2 315.417 1.511 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614361 757710383 /nfs/dbraw/zinc/71/03/83/757710383.db2.gz SEVOZTXZLYRUPO-GDBMZVCRSA-N 2 2 315.417 1.511 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974790 758117792 /nfs/dbraw/zinc/11/77/92/758117792.db2.gz VBHCTXMIIBXBFX-VYDXJSESSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974790 758117796 /nfs/dbraw/zinc/11/77/96/758117796.db2.gz VBHCTXMIIBXBFX-VYDXJSESSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017660669 758129695 /nfs/dbraw/zinc/12/96/95/758129695.db2.gz MHVLXKHYKBLTQG-IYBDPMFKSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017660669 758129702 /nfs/dbraw/zinc/12/97/02/758129702.db2.gz MHVLXKHYKBLTQG-IYBDPMFKSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045707 758178922 /nfs/dbraw/zinc/17/89/22/758178922.db2.gz GAHIYEHCPGXCTG-OAGGEKHMSA-N 2 2 302.422 1.943 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045707 758178923 /nfs/dbraw/zinc/17/89/23/758178923.db2.gz GAHIYEHCPGXCTG-OAGGEKHMSA-N 2 2 302.422 1.943 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052616 758508064 /nfs/dbraw/zinc/50/80/64/758508064.db2.gz QJSPLJIBHDQLNV-WNRNVDISSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052616 758508068 /nfs/dbraw/zinc/50/80/68/758508068.db2.gz QJSPLJIBHDQLNV-WNRNVDISSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018052616 758508071 /nfs/dbraw/zinc/50/80/71/758508071.db2.gz QJSPLJIBHDQLNV-WNRNVDISSA-N 2 2 315.461 1.702 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018052616 758508074 /nfs/dbraw/zinc/50/80/74/758508074.db2.gz QJSPLJIBHDQLNV-WNRNVDISSA-N 2 2 315.461 1.702 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212523 759297564 /nfs/dbraw/zinc/29/75/64/759297564.db2.gz IUSRXHBKNMMQOH-YJBOKZPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001054212523 759297571 /nfs/dbraw/zinc/29/75/71/759297571.db2.gz IUSRXHBKNMMQOH-YJBOKZPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212523 759297579 /nfs/dbraw/zinc/29/75/79/759297579.db2.gz IUSRXHBKNMMQOH-YJBOKZPZSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001054212523 759297587 /nfs/dbraw/zinc/29/75/87/759297587.db2.gz IUSRXHBKNMMQOH-YJBOKZPZSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259055 759358163 /nfs/dbraw/zinc/35/81/63/759358163.db2.gz KKMQTDYRTXLSGM-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259055 759358176 /nfs/dbraw/zinc/35/81/76/759358176.db2.gz KKMQTDYRTXLSGM-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259055 759358186 /nfs/dbraw/zinc/35/81/86/759358186.db2.gz KKMQTDYRTXLSGM-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001054259055 759358198 /nfs/dbraw/zinc/35/81/98/759358198.db2.gz KKMQTDYRTXLSGM-GOSISDBHSA-N 2 2 311.429 1.736 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001131267964 767968205 /nfs/dbraw/zinc/96/82/05/767968205.db2.gz ARKCQTWFDIMYEX-UHFFFAOYSA-N 2 2 319.368 1.726 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001020165824 760641808 /nfs/dbraw/zinc/64/18/08/760641808.db2.gz BDIIHJBQQXXQSE-KLHDSHLOSA-N 2 2 314.433 1.577 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001020179106 760654612 /nfs/dbraw/zinc/65/46/12/760654612.db2.gz OPBVSTBYEHPZLB-HDJSIYSDSA-N 2 2 302.422 1.575 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237502 761875076 /nfs/dbraw/zinc/87/50/76/761875076.db2.gz ITSYPEXGEPGNIO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237502 761875084 /nfs/dbraw/zinc/87/50/84/761875084.db2.gz ITSYPEXGEPGNIO-GDBMZVCRSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040895761 762726227 /nfs/dbraw/zinc/72/62/27/762726227.db2.gz GMLGAJKCSKJXOB-UHFFFAOYSA-N 2 2 300.406 1.290 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503099 763082690 /nfs/dbraw/zinc/08/26/90/763082690.db2.gz MBEMWLGGIBJKDR-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041503099 763082696 /nfs/dbraw/zinc/08/26/96/763082696.db2.gz MBEMWLGGIBJKDR-GOSISDBHSA-N 2 2 316.449 1.853 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102051 763136228 /nfs/dbraw/zinc/13/62/28/763136228.db2.gz ISMQQHOWASXMKC-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102051 763136234 /nfs/dbraw/zinc/13/62/34/763136234.db2.gz ISMQQHOWASXMKC-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717198 763245309 /nfs/dbraw/zinc/24/53/09/763245309.db2.gz MNEFLVXELJQBTG-WBVHZDCISA-N 2 2 302.422 1.945 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717198 763245317 /nfs/dbraw/zinc/24/53/17/763245317.db2.gz MNEFLVXELJQBTG-WBVHZDCISA-N 2 2 302.422 1.945 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050554076 763747323 /nfs/dbraw/zinc/74/73/23/763747323.db2.gz OGJPSCGLLUXPGC-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001050554076 763747329 /nfs/dbraw/zinc/74/73/29/763747329.db2.gz OGJPSCGLLUXPGC-HUUCEWRRSA-N 2 2 312.417 1.461 20 30 DDEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001050575564 763770614 /nfs/dbraw/zinc/77/06/14/763770614.db2.gz LLIGPQGDHZTTNE-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340229 763847715 /nfs/dbraw/zinc/84/77/15/763847715.db2.gz MWCPDWLUJKCFBZ-QLPKVWCKSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340229 763847719 /nfs/dbraw/zinc/84/77/19/763847719.db2.gz MWCPDWLUJKCFBZ-QLPKVWCKSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042313001 763902068 /nfs/dbraw/zinc/90/20/68/763902068.db2.gz GYGZIAAHHGXAFA-KBPBESRZSA-N 2 2 302.422 1.796 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042313001 763902073 /nfs/dbraw/zinc/90/20/73/763902073.db2.gz GYGZIAAHHGXAFA-KBPBESRZSA-N 2 2 302.422 1.796 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042333002 763928951 /nfs/dbraw/zinc/92/89/51/763928951.db2.gz MGYSJSRXRUQNIA-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042333002 763928954 /nfs/dbraw/zinc/92/89/54/763928954.db2.gz MGYSJSRXRUQNIA-RDJZCZTQSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731692 763972935 /nfs/dbraw/zinc/97/29/35/763972935.db2.gz NDVYHUZEPZVHAR-UHFFFAOYSA-N 2 2 302.422 1.798 20 30 DDEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563289 764405272 /nfs/dbraw/zinc/40/52/72/764405272.db2.gz OTLBKVAJXCZLBL-YOEHRIQHSA-N 2 2 302.422 1.367 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001130401122 767497881 /nfs/dbraw/zinc/49/78/81/767497881.db2.gz POWJKLXIGFARON-MRXNPFEDSA-N 2 2 323.400 1.223 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046430466 767552682 /nfs/dbraw/zinc/55/26/82/767552682.db2.gz BDLYTYNJBNBHFA-RHSMWYFYSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046430466 767552686 /nfs/dbraw/zinc/55/26/86/767552686.db2.gz BDLYTYNJBNBHFA-RHSMWYFYSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)s1 ZINC001132079718 768609657 /nfs/dbraw/zinc/60/96/57/768609657.db2.gz JKLOVLUJKDMECU-UHFFFAOYSA-N 2 2 303.391 1.112 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001048833518 769961232 /nfs/dbraw/zinc/96/12/32/769961232.db2.gz QTNLKPNRZPXWDZ-GASCZTMLSA-N 2 2 314.433 1.338 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001048833518 769961235 /nfs/dbraw/zinc/96/12/35/769961235.db2.gz QTNLKPNRZPXWDZ-GASCZTMLSA-N 2 2 314.433 1.338 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=C)Cl)C[C@@H]2C1 ZINC001048869393 770020207 /nfs/dbraw/zinc/02/02/07/770020207.db2.gz WBZTXZHXLSZENP-XHSDSOJGSA-N 2 2 321.852 1.227 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=C)Cl)C[C@@H]2C1 ZINC001048869393 770020219 /nfs/dbraw/zinc/02/02/19/770020219.db2.gz WBZTXZHXLSZENP-XHSDSOJGSA-N 2 2 321.852 1.227 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)Cl)C[C@@H]2C1 ZINC001048869393 770020231 /nfs/dbraw/zinc/02/02/31/770020231.db2.gz WBZTXZHXLSZENP-XHSDSOJGSA-N 2 2 321.852 1.227 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)Cl)C[C@@H]2C1 ZINC001048869393 770020245 /nfs/dbraw/zinc/02/02/45/770020245.db2.gz WBZTXZHXLSZENP-XHSDSOJGSA-N 2 2 321.852 1.227 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049106692 770387809 /nfs/dbraw/zinc/38/78/09/770387809.db2.gz GQKNDIOCMWIHPV-SOUVJXGZSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049106692 770387822 /nfs/dbraw/zinc/38/78/22/770387822.db2.gz GQKNDIOCMWIHPV-SOUVJXGZSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049106692 770387834 /nfs/dbraw/zinc/38/78/34/770387834.db2.gz GQKNDIOCMWIHPV-SOUVJXGZSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049106692 770387846 /nfs/dbraw/zinc/38/78/46/770387846.db2.gz GQKNDIOCMWIHPV-SOUVJXGZSA-N 2 2 302.422 1.555 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@H]2C1 ZINC001049114485 770399116 /nfs/dbraw/zinc/39/91/16/770399116.db2.gz HHXBUUUTDSCZJK-IYBDPMFKSA-N 2 2 324.428 1.761 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@H]2C1 ZINC001049114485 770399127 /nfs/dbraw/zinc/39/91/27/770399127.db2.gz HHXBUUUTDSCZJK-IYBDPMFKSA-N 2 2 324.428 1.761 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001049528741 770982926 /nfs/dbraw/zinc/98/29/26/770982926.db2.gz IFPPYZSSTLRAAC-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049528741 770982931 /nfs/dbraw/zinc/98/29/31/770982931.db2.gz IFPPYZSSTLRAAC-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCF ZINC001049528741 770982938 /nfs/dbraw/zinc/98/29/38/770982938.db2.gz IFPPYZSSTLRAAC-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCF ZINC001049528741 770982943 /nfs/dbraw/zinc/98/29/43/770982943.db2.gz IFPPYZSSTLRAAC-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097191 771321912 /nfs/dbraw/zinc/32/19/12/771321912.db2.gz JFQMIXSISCGPAT-CABCVRRESA-N 2 2 310.401 1.992 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840454 771746496 /nfs/dbraw/zinc/74/64/96/771746496.db2.gz JAYPRUGNFQVNSI-HUUCEWRRSA-N 2 2 310.401 1.992 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136052734 771852099 /nfs/dbraw/zinc/85/20/99/771852099.db2.gz VOJYIEZBOZHPCB-STQMWFEESA-N 2 2 312.845 1.978 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136054811 771853751 /nfs/dbraw/zinc/85/37/51/771853751.db2.gz LIFXOCYBOGWICE-CABCVRRESA-N 2 2 322.453 1.428 20 30 DDEDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171181680 772522727 /nfs/dbraw/zinc/52/27/27/772522727.db2.gz NRTYDRQFBBENAQ-XJKSGUPXSA-N 2 2 303.406 1.749 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073646961 773262272 /nfs/dbraw/zinc/26/22/72/773262272.db2.gz CACBLJICMKRDQR-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073646961 773262278 /nfs/dbraw/zinc/26/22/78/773262278.db2.gz CACBLJICMKRDQR-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073646961 773262283 /nfs/dbraw/zinc/26/22/83/773262283.db2.gz CACBLJICMKRDQR-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073646961 773262286 /nfs/dbraw/zinc/26/22/86/773262286.db2.gz CACBLJICMKRDQR-RBSFLKMASA-N 2 2 318.421 1.296 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148485921 773497377 /nfs/dbraw/zinc/49/73/77/773497377.db2.gz VGAMNIXZRFUPHE-AWEZNQCLSA-N 2 2 302.422 1.841 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148485921 773497381 /nfs/dbraw/zinc/49/73/81/773497381.db2.gz VGAMNIXZRFUPHE-AWEZNQCLSA-N 2 2 302.422 1.841 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954286 773743399 /nfs/dbraw/zinc/74/33/99/773743399.db2.gz HRDXFPPIUSZXBI-CQSZACIVSA-N 2 2 314.433 1.597 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897205 773871083 /nfs/dbraw/zinc/87/10/83/773871083.db2.gz CBVOSBWUDCYNHO-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897205 773871087 /nfs/dbraw/zinc/87/10/87/773871087.db2.gz CBVOSBWUDCYNHO-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050579 773928282 /nfs/dbraw/zinc/92/82/82/773928282.db2.gz YHBJFCANCXGPID-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050579 773928290 /nfs/dbraw/zinc/92/82/90/773928290.db2.gz YHBJFCANCXGPID-PBHICJAKSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092201036 774003056 /nfs/dbraw/zinc/00/30/56/774003056.db2.gz UDHPNIMNNNDBJO-CJNGLKHVSA-N 2 2 322.840 1.495 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092201036 774003060 /nfs/dbraw/zinc/00/30/60/774003060.db2.gz UDHPNIMNNNDBJO-CJNGLKHVSA-N 2 2 322.840 1.495 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036733646 774425700 /nfs/dbraw/zinc/42/57/00/774425700.db2.gz FJIUZICACUKHDL-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036733646 774425702 /nfs/dbraw/zinc/42/57/02/774425702.db2.gz FJIUZICACUKHDL-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036733646 774425704 /nfs/dbraw/zinc/42/57/04/774425704.db2.gz FJIUZICACUKHDL-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036733646 774425705 /nfs/dbraw/zinc/42/57/05/774425705.db2.gz FJIUZICACUKHDL-ZBFHGGJFSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049860 774795273 /nfs/dbraw/zinc/79/52/73/774795273.db2.gz YFAUXAJFQZGNGW-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049860 774795276 /nfs/dbraw/zinc/79/52/76/774795276.db2.gz YFAUXAJFQZGNGW-HNNXBMFYSA-N 2 2 316.449 1.972 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970259 776947454 /nfs/dbraw/zinc/94/74/54/776947454.db2.gz DSHBYDJUJXWMJB-ILXRZTDVSA-N 2 2 322.453 1.962 20 30 DDEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970259 776947461 /nfs/dbraw/zinc/94/74/61/776947461.db2.gz DSHBYDJUJXWMJB-ILXRZTDVSA-N 2 2 322.453 1.962 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463332 777796759 /nfs/dbraw/zinc/79/67/59/777796759.db2.gz ZPTPIGFKBGFPAX-AWEZNQCLSA-N 2 2 308.426 1.419 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676540 778208884 /nfs/dbraw/zinc/20/88/84/778208884.db2.gz WIEJRBUMHHEDCK-NVXWUHKLSA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177090098 778443077 /nfs/dbraw/zinc/44/30/77/778443077.db2.gz ZNWCDIXLYVXQMR-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177090098 778443080 /nfs/dbraw/zinc/44/30/80/778443080.db2.gz ZNWCDIXLYVXQMR-JKSUJKDBSA-N 2 2 309.454 1.206 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472219 778883499 /nfs/dbraw/zinc/88/34/99/778883499.db2.gz IXWVWUIEMDWMJQ-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472219 778883502 /nfs/dbraw/zinc/88/35/02/778883502.db2.gz IXWVWUIEMDWMJQ-DGCLKSJQSA-N 2 2 310.829 1.779 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001267282966 837739563 /nfs/dbraw/zinc/73/95/63/837739563.db2.gz ZFUUSDZFGAPZJD-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001267282966 837739570 /nfs/dbraw/zinc/73/95/70/837739570.db2.gz ZFUUSDZFGAPZJD-AWEZNQCLSA-N 2 2 306.410 1.044 20 30 DDEDLP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266398830 836205401 /nfs/dbraw/zinc/20/54/01/836205401.db2.gz DTZDTGBHPKNSIX-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266398830 836205410 /nfs/dbraw/zinc/20/54/10/836205410.db2.gz DTZDTGBHPKNSIX-OAHLLOKOSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266873856 836980150 /nfs/dbraw/zinc/98/01/50/836980150.db2.gz ZRNUBSAXWDXFHU-DOTOQJQBSA-N 2 2 316.449 1.992 20 30 DDEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266945842 837095926 /nfs/dbraw/zinc/09/59/26/837095926.db2.gz BCGGLMUCTLHRKZ-JKSUJKDBSA-N 2 2 320.437 1.214 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001267968686 839290921 /nfs/dbraw/zinc/29/09/21/839290921.db2.gz AQVWXJCTKPGSNB-MRXNPFEDSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001279249131 839539209 /nfs/dbraw/zinc/53/92/09/839539209.db2.gz GVDMQSVGFUWFOJ-NFOMZHRRSA-N 2 2 300.406 1.048 20 30 DDEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]CC#Cc1ccccc1 ZINC001270469283 842601744 /nfs/dbraw/zinc/60/17/44/842601744.db2.gz INTCIYRMLKFBAT-QGZVFWFLSA-N 2 2 324.428 1.667 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001272226577 844779757 /nfs/dbraw/zinc/77/97/57/844779757.db2.gz SDHVZNCYWYQROW-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001272226577 844779764 /nfs/dbraw/zinc/77/97/64/844779764.db2.gz SDHVZNCYWYQROW-IAGOWNOFSA-N 2 2 314.433 1.609 20 30 DDEDLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001149558900 861707268 /nfs/dbraw/zinc/70/72/68/861707268.db2.gz MVOBYLPSGSXQMT-UHFFFAOYSA-N 2 2 311.389 1.130 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996092813 846800680 /nfs/dbraw/zinc/80/06/80/846800680.db2.gz OFSCBIITBRXECG-QGZVFWFLSA-N 2 2 322.412 1.946 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274751 848221577 /nfs/dbraw/zinc/22/15/77/848221577.db2.gz SEYCXUCMZWABDF-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034274751 848221581 /nfs/dbraw/zinc/22/15/81/848221581.db2.gz SEYCXUCMZWABDF-JKSUJKDBSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275034 848224811 /nfs/dbraw/zinc/22/48/11/848224811.db2.gz YJINDNLQTYBCBS-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001034275034 848224824 /nfs/dbraw/zinc/22/48/24/848224824.db2.gz YJINDNLQTYBCBS-JKSUJKDBSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034408414 848453512 /nfs/dbraw/zinc/45/35/12/848453512.db2.gz JVZVSZARCTXADE-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034408414 848453518 /nfs/dbraw/zinc/45/35/18/848453518.db2.gz JVZVSZARCTXADE-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CO2 ZINC001327413519 862155131 /nfs/dbraw/zinc/15/51/31/862155131.db2.gz VCTDSQVXRCEEQO-OAHLLOKOSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CO2 ZINC001327413519 862155138 /nfs/dbraw/zinc/15/51/38/862155138.db2.gz VCTDSQVXRCEEQO-OAHLLOKOSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371961 862200012 /nfs/dbraw/zinc/20/00/12/862200012.db2.gz NNGXDJVWGLHMEU-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371961 862200025 /nfs/dbraw/zinc/20/00/25/862200025.db2.gz NNGXDJVWGLHMEU-GDBMZVCRSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826383 851391928 /nfs/dbraw/zinc/39/19/28/851391928.db2.gz CXYCAIKUEFGDOS-QGZVFWFLSA-N 2 2 305.422 1.108 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826383 851391934 /nfs/dbraw/zinc/39/19/34/851391934.db2.gz CXYCAIKUEFGDOS-QGZVFWFLSA-N 2 2 305.422 1.108 20 30 DDEDLP N#CCC[N@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274032576 851873176 /nfs/dbraw/zinc/87/31/76/851873176.db2.gz SJLHYNGZVFOLPZ-QGZVFWFLSA-N 2 2 315.421 1.501 20 30 DDEDLP N#CCC[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001274032576 851873179 /nfs/dbraw/zinc/87/31/79/851873179.db2.gz SJLHYNGZVFOLPZ-QGZVFWFLSA-N 2 2 315.421 1.501 20 30 DDEDLP C=CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001327682604 862382441 /nfs/dbraw/zinc/38/24/41/862382441.db2.gz PLLCNYPGJMOLGA-UHFFFAOYSA-N 2 2 306.410 1.104 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001274936220 852698503 /nfs/dbraw/zinc/69/85/03/852698503.db2.gz GAHBUBWCCOBFNT-CQSZACIVSA-N 2 2 320.437 1.250 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001280607862 852938635 /nfs/dbraw/zinc/93/86/35/852938635.db2.gz ADXLERNLNVQRQG-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828564 857766523 /nfs/dbraw/zinc/76/65/23/857766523.db2.gz FOBSWHKLVFSHKZ-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828564 857766535 /nfs/dbraw/zinc/76/65/35/857766535.db2.gz FOBSWHKLVFSHKZ-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828564 857766542 /nfs/dbraw/zinc/76/65/42/857766542.db2.gz FOBSWHKLVFSHKZ-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828564 857766549 /nfs/dbraw/zinc/76/65/49/857766549.db2.gz FOBSWHKLVFSHKZ-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072849168 857797397 /nfs/dbraw/zinc/79/73/97/857797397.db2.gz WLXNIHYJPWFBES-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072849168 857797406 /nfs/dbraw/zinc/79/74/06/857797406.db2.gz WLXNIHYJPWFBES-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203014443 860596546 /nfs/dbraw/zinc/59/65/46/860596546.db2.gz PWYDLWYGAJQYSD-GJZGRUSLSA-N 2 2 300.406 1.383 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203014443 860596548 /nfs/dbraw/zinc/59/65/48/860596548.db2.gz PWYDLWYGAJQYSD-GJZGRUSLSA-N 2 2 300.406 1.383 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001329705039 863799876 /nfs/dbraw/zinc/79/98/76/863799876.db2.gz JLJPVUWZIZULPY-MRXNPFEDSA-N 2 2 323.481 1.378 20 30 DDEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001329705039 863799883 /nfs/dbraw/zinc/79/98/83/863799883.db2.gz JLJPVUWZIZULPY-MRXNPFEDSA-N 2 2 323.481 1.378 20 30 DDEDLP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001331203079 864940372 /nfs/dbraw/zinc/94/03/72/864940372.db2.gz RFGDZRWTBPXCFU-LSDHHAIUSA-N 2 2 304.438 1.752 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001323150687 866386660 /nfs/dbraw/zinc/38/66/60/866386660.db2.gz QYSKCIYKCSTFIT-HZPDHXFCSA-N 2 2 316.449 1.593 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315611 866521099 /nfs/dbraw/zinc/52/10/99/866521099.db2.gz QQNJQGNZPAHRLM-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001324102020 867071763 /nfs/dbraw/zinc/07/17/63/867071763.db2.gz KKFJUFJYFLQGCD-CVEARBPZSA-N 2 2 302.422 1.656 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001324187227 867130170 /nfs/dbraw/zinc/13/01/70/867130170.db2.gz PPZRFAVPQACBQN-GOEBONIOSA-N 2 2 302.422 1.602 20 30 DDEDLP COCC#CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001277093963 882170573 /nfs/dbraw/zinc/17/05/73/882170573.db2.gz GYGASLXLASKYLT-UHFFFAOYSA-N 2 2 312.373 1.065 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336713328 869105712 /nfs/dbraw/zinc/10/57/12/869105712.db2.gz OWBKDVYRZKGDBF-MRXNPFEDSA-N 2 2 303.362 1.315 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC001336798209 869148983 /nfs/dbraw/zinc/14/89/83/869148983.db2.gz WIVGBJCNSDSWGU-OAHLLOKOSA-N 2 2 322.836 1.767 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819364 869721195 /nfs/dbraw/zinc/72/11/95/869721195.db2.gz PFFILUBPBNUMMH-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CC[NH+]1CCC(N(CCC)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001317007091 870112997 /nfs/dbraw/zinc/11/29/97/870112997.db2.gz ZYPDWDUDJJQRFS-UHFFFAOYSA-N 2 2 316.449 1.689 20 30 DDEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317020401 870127940 /nfs/dbraw/zinc/12/79/40/870127940.db2.gz WLASLHUZDUQCHC-CABCVRRESA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317043989 870156364 /nfs/dbraw/zinc/15/63/64/870156364.db2.gz FLVUTLDTZUDHEB-NCOADZHNSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317043989 870156369 /nfs/dbraw/zinc/15/63/69/870156369.db2.gz FLVUTLDTZUDHEB-NCOADZHNSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317043989 870156374 /nfs/dbraw/zinc/15/63/74/870156374.db2.gz FLVUTLDTZUDHEB-NCOADZHNSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317043989 870156379 /nfs/dbraw/zinc/15/63/79/870156379.db2.gz FLVUTLDTZUDHEB-NCOADZHNSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377891 870738171 /nfs/dbraw/zinc/73/81/71/870738171.db2.gz VUSHGQYXXISYAO-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317377891 870738184 /nfs/dbraw/zinc/73/81/84/870738184.db2.gz VUSHGQYXXISYAO-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001317694174 871418902 /nfs/dbraw/zinc/41/89/02/871418902.db2.gz PVXIQPZNYMSDQQ-OAHLLOKOSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001317694174 871418906 /nfs/dbraw/zinc/41/89/06/871418906.db2.gz PVXIQPZNYMSDQQ-OAHLLOKOSA-N 2 2 302.422 1.295 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)s1 ZINC001380168615 878956132 /nfs/dbraw/zinc/95/61/32/878956132.db2.gz GNZSNETZKRZRDE-UHFFFAOYSA-N 2 2 315.402 1.324 20 30 DDEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220663659 879169116 /nfs/dbraw/zinc/16/91/16/879169116.db2.gz KDBNAUAVKKQIOB-WFASDCNBSA-N 2 2 314.389 1.722 20 30 DDEDLP C#CCC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223578338 881011218 /nfs/dbraw/zinc/01/12/18/881011218.db2.gz UFBOMWFCRNTLHT-UHFFFAOYSA-N 2 2 316.449 1.778 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437863 887970619 /nfs/dbraw/zinc/97/06/19/887970619.db2.gz XTTYUACFRFHPTQ-OAHLLOKOSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234437863 887970644 /nfs/dbraw/zinc/97/06/44/887970644.db2.gz XTTYUACFRFHPTQ-OAHLLOKOSA-N 2 2 302.422 1.481 20 30 DDEDLP C[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961258 888873396 /nfs/dbraw/zinc/87/33/96/888873396.db2.gz VIKNMOFIXVPBLG-QAPCUYQASA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961258 888873406 /nfs/dbraw/zinc/87/34/06/888873406.db2.gz VIKNMOFIXVPBLG-QAPCUYQASA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961258 888873415 /nfs/dbraw/zinc/87/34/15/888873415.db2.gz VIKNMOFIXVPBLG-QAPCUYQASA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961258 888873422 /nfs/dbraw/zinc/87/34/22/888873422.db2.gz VIKNMOFIXVPBLG-QAPCUYQASA-N 2 2 316.449 1.565 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278373449 891758129 /nfs/dbraw/zinc/75/81/29/891758129.db2.gz ZEPAKAJVGIYKHW-BBRMVZONSA-N 2 2 310.401 1.859 20 30 DDEDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246153828 892448690 /nfs/dbraw/zinc/44/86/90/892448690.db2.gz SYFNPGUBBYMQKU-BBRMVZONSA-N 2 2 303.406 1.749 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278511880 893795297 /nfs/dbraw/zinc/79/52/97/893795297.db2.gz LVXSAUOXDVAGAN-MAUKXSAKSA-N 2 2 314.433 1.297 20 30 DDEDLP C=C[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252553575 895273971 /nfs/dbraw/zinc/27/39/71/895273971.db2.gz ZQPLNBWANHYJSN-SQNIBIBYSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252553575 895273981 /nfs/dbraw/zinc/27/39/81/895273981.db2.gz ZQPLNBWANHYJSN-SQNIBIBYSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252553575 895273998 /nfs/dbraw/zinc/27/39/98/895273998.db2.gz ZQPLNBWANHYJSN-SQNIBIBYSA-N 2 2 301.434 1.772 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252553575 895274013 /nfs/dbraw/zinc/27/40/13/895274013.db2.gz ZQPLNBWANHYJSN-SQNIBIBYSA-N 2 2 301.434 1.772 20 30 DDEDLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252829337 895483964 /nfs/dbraw/zinc/48/39/64/895483964.db2.gz QIAAFTTWMYRQFB-KRWDZBQOSA-N 2 2 303.406 1.120 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528926 896486447 /nfs/dbraw/zinc/48/64/47/896486447.db2.gz ALDBERIOHCXBHD-LJQANCHMSA-N 3 2 320.525 1.762 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528926 896486452 /nfs/dbraw/zinc/48/64/52/896486452.db2.gz ALDBERIOHCXBHD-LJQANCHMSA-N 3 2 320.525 1.762 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001264564398 901185051 /nfs/dbraw/zinc/18/50/51/901185051.db2.gz QQQDTNRMHBXXQG-ZBFHGGJFSA-N 2 2 302.422 1.203 20 30 DDEDLP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001265025848 901452624 /nfs/dbraw/zinc/45/26/24/901452624.db2.gz JQDSBCYNMHELSH-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001265025848 901452627 /nfs/dbraw/zinc/45/26/27/901452627.db2.gz JQDSBCYNMHELSH-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001265025848 901452631 /nfs/dbraw/zinc/45/26/31/901452631.db2.gz JQDSBCYNMHELSH-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001265025848 901452634 /nfs/dbraw/zinc/45/26/34/901452634.db2.gz JQDSBCYNMHELSH-QGZVFWFLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001265812913 902427934 /nfs/dbraw/zinc/42/79/34/902427934.db2.gz GWTYPTJIFYUOFK-WBVHZDCISA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001265812913 902427943 /nfs/dbraw/zinc/42/79/43/902427943.db2.gz GWTYPTJIFYUOFK-WBVHZDCISA-N 2 2 323.481 1.690 20 30 DDEDLP CC#CC[NH2+]CCc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001266088077 902915795 /nfs/dbraw/zinc/91/57/95/902915795.db2.gz LIVBJWAZXFCHMZ-UHFFFAOYSA-N 2 2 324.428 1.434 20 30 DDEDLP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001282942024 906297716 /nfs/dbraw/zinc/29/77/16/906297716.db2.gz ZHNMDWJRWGBYEY-CABCVRRESA-N 2 2 306.410 1.055 20 30 DDEDLP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001283011013 906461134 /nfs/dbraw/zinc/46/11/34/906461134.db2.gz KAIHIACBOJDVCL-OAHLLOKOSA-N 2 2 318.421 1.056 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316628967 907891123 /nfs/dbraw/zinc/89/11/23/907891123.db2.gz FXADOZFFRYBEKD-KOMQPUFPSA-N 2 2 310.401 1.764 20 30 DDEDLP C=CCOc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623617997 365958846 /nfs/dbraw/zinc/95/88/46/365958846.db2.gz ZRVAKOYNGBRJEU-INIZCTEOSA-N 2 2 317.433 1.681 20 30 DDEDLP C=CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623617997 365958850 /nfs/dbraw/zinc/95/88/50/365958850.db2.gz ZRVAKOYNGBRJEU-INIZCTEOSA-N 2 2 317.433 1.681 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000068444879 353112975 /nfs/dbraw/zinc/11/29/75/353112975.db2.gz SDALBVIRJPCTJT-UHFFFAOYSA-N 2 2 309.373 1.048 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000073615231 353262193 /nfs/dbraw/zinc/26/21/93/353262193.db2.gz XXNBBMIYCCMZKA-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000073615231 353262194 /nfs/dbraw/zinc/26/21/94/353262194.db2.gz XXNBBMIYCCMZKA-HNNXBMFYSA-N 2 2 314.433 1.543 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161318084 354242876 /nfs/dbraw/zinc/24/28/76/354242876.db2.gz RCXNHDWMZQNYNL-QGZVFWFLSA-N 2 2 315.421 1.258 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598617830 357655420 /nfs/dbraw/zinc/65/54/20/357655420.db2.gz HWJBFRPRUWASAJ-HOTGVXAUSA-N 2 2 309.454 1.331 20 30 DDEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598617830 357655425 /nfs/dbraw/zinc/65/54/25/357655425.db2.gz HWJBFRPRUWASAJ-HOTGVXAUSA-N 2 2 309.454 1.331 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1C#N ZINC000599338531 357900039 /nfs/dbraw/zinc/90/00/39/357900039.db2.gz UTEUAOMFKFHIBF-MRXNPFEDSA-N 2 2 314.389 1.517 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1C#N ZINC000599338531 357900040 /nfs/dbraw/zinc/90/00/40/357900040.db2.gz UTEUAOMFKFHIBF-MRXNPFEDSA-N 2 2 314.389 1.517 20 30 DDEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000602552446 359041508 /nfs/dbraw/zinc/04/15/08/359041508.db2.gz XBYSXNNUHKBDAF-CVEARBPZSA-N 2 2 309.454 1.643 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000602675588 359119798 /nfs/dbraw/zinc/11/97/98/359119798.db2.gz UVMGRSFYKYFHBL-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000602675588 359119801 /nfs/dbraw/zinc/11/98/01/359119801.db2.gz UVMGRSFYKYFHBL-HZPDHXFCSA-N 2 2 309.454 1.522 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610714301 360513489 /nfs/dbraw/zinc/51/34/89/360513489.db2.gz SJLHRRUZUAPELE-BFHRDPOASA-N 2 2 318.465 1.553 20 30 DDEDLP CC1CC(C#N)(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610714301 360513494 /nfs/dbraw/zinc/51/34/94/360513494.db2.gz SJLHRRUZUAPELE-BFHRDPOASA-N 2 2 318.465 1.553 20 30 DDEDLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271852833 209268283 /nfs/dbraw/zinc/26/82/83/209268283.db2.gz IWXIKQUQLPCILH-AWEZNQCLSA-N 2 2 314.433 1.637 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271682795 209122720 /nfs/dbraw/zinc/12/27/20/209122720.db2.gz JPZSTHNVTAYCKN-ZDUSSCGKSA-N 2 2 323.462 1.635 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348264940 533173078 /nfs/dbraw/zinc/17/30/78/533173078.db2.gz CEZSYSOJAQQCDM-HOCLYGCPSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348264940 533173089 /nfs/dbraw/zinc/17/30/89/533173089.db2.gz CEZSYSOJAQQCDM-HOCLYGCPSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348264940 533173096 /nfs/dbraw/zinc/17/30/96/533173096.db2.gz CEZSYSOJAQQCDM-HOCLYGCPSA-N 2 2 306.454 1.411 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348264940 533173100 /nfs/dbraw/zinc/17/31/00/533173100.db2.gz CEZSYSOJAQQCDM-HOCLYGCPSA-N 2 2 306.454 1.411 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000289473464 221000640 /nfs/dbraw/zinc/00/06/40/221000640.db2.gz ZEBRTXUXZZYOCG-UHFFFAOYSA-N 2 2 313.380 1.796 20 30 DDEDLP CCc1ccc([C@@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+](C)C)cc1 ZINC000104155510 407348453 /nfs/dbraw/zinc/34/84/53/407348453.db2.gz LJWAPIUZGNHTNH-XJKSGUPXSA-N 2 2 306.454 1.791 20 30 DDEDLP CCOCCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912398 407549882 /nfs/dbraw/zinc/54/98/82/407549882.db2.gz JRWFPBSPDJNOQD-UHFFFAOYSA-N 2 2 302.382 1.098 20 30 DDEDLP CC[C@H]1CN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)CCS1 ZINC000262013736 407709822 /nfs/dbraw/zinc/70/98/22/407709822.db2.gz VIUNBXAHMIATQE-ZDUSSCGKSA-N 2 2 324.498 1.389 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131903116 407761083 /nfs/dbraw/zinc/76/10/83/407761083.db2.gz PRYGISOEEUPHMQ-MRXNPFEDSA-N 2 2 301.390 1.735 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131903116 407761087 /nfs/dbraw/zinc/76/10/87/407761087.db2.gz PRYGISOEEUPHMQ-MRXNPFEDSA-N 2 2 301.390 1.735 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[NH+]2CCCCC2)cc1 ZINC000277746826 409004589 /nfs/dbraw/zinc/00/45/89/409004589.db2.gz ZAPVZEILDRTBCN-UHFFFAOYSA-N 3 2 304.438 1.871 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292189308 408998231 /nfs/dbraw/zinc/99/82/31/408998231.db2.gz RFFSNCMEDOLGMA-SFHVURJKSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292189308 408998232 /nfs/dbraw/zinc/99/82/32/408998232.db2.gz RFFSNCMEDOLGMA-SFHVURJKSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292189308 408998235 /nfs/dbraw/zinc/99/82/35/408998235.db2.gz RFFSNCMEDOLGMA-SFHVURJKSA-N 2 2 315.417 1.973 20 30 DDEDLP COc1cc(C#N)ccc1OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292189308 408998237 /nfs/dbraw/zinc/99/82/37/408998237.db2.gz RFFSNCMEDOLGMA-SFHVURJKSA-N 2 2 315.417 1.973 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000292240245 409007998 /nfs/dbraw/zinc/00/79/98/409007998.db2.gz GIKXNECTMIWMCB-UHFFFAOYSA-N 2 2 316.405 1.052 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000295078923 409314360 /nfs/dbraw/zinc/31/43/60/409314360.db2.gz SXFRVQYVIQXOOP-OAHLLOKOSA-N 2 2 318.417 1.844 20 30 DDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCCCC1 ZINC000303775950 409553517 /nfs/dbraw/zinc/55/35/17/409553517.db2.gz HHSQIARTYCIESN-UHFFFAOYSA-N 2 2 308.470 1.822 20 30 DDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000354239455 409736119 /nfs/dbraw/zinc/73/61/19/409736119.db2.gz ORSGEOVWQBOZKZ-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000354239455 409736126 /nfs/dbraw/zinc/73/61/26/409736126.db2.gz ORSGEOVWQBOZKZ-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328610317 409933829 /nfs/dbraw/zinc/93/38/29/409933829.db2.gz NPLHNTGSDBKPEH-GJZGRUSLSA-N 2 2 317.437 1.845 20 30 DDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000328610317 409933836 /nfs/dbraw/zinc/93/38/36/409933836.db2.gz NPLHNTGSDBKPEH-GJZGRUSLSA-N 2 2 317.437 1.845 20 30 DDEDLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328951733 410019181 /nfs/dbraw/zinc/01/91/81/410019181.db2.gz NQLDKOWKKHTUEG-CQSZACIVSA-N 2 2 320.437 1.637 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329600061 410379693 /nfs/dbraw/zinc/37/96/93/410379693.db2.gz JZPVIEDVQAVWFF-WCQYABFASA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329600061 410379698 /nfs/dbraw/zinc/37/96/98/410379698.db2.gz JZPVIEDVQAVWFF-WCQYABFASA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CC[N@H+](C)CC1 ZINC000329600061 410379704 /nfs/dbraw/zinc/37/97/04/410379704.db2.gz JZPVIEDVQAVWFF-WCQYABFASA-N 2 2 303.410 1.421 20 30 DDEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1)C1=CC[N@@H+](C)CC1 ZINC000329600061 410379709 /nfs/dbraw/zinc/37/97/09/410379709.db2.gz JZPVIEDVQAVWFF-WCQYABFASA-N 2 2 303.410 1.421 20 30 DDEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481864 418479128 /nfs/dbraw/zinc/47/91/28/418479128.db2.gz LZUUJLQIIRCTTM-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481864 418479130 /nfs/dbraw/zinc/47/91/30/418479130.db2.gz LZUUJLQIIRCTTM-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481864 418479132 /nfs/dbraw/zinc/47/91/32/418479132.db2.gz LZUUJLQIIRCTTM-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)C1 ZINC000366481864 418479134 /nfs/dbraw/zinc/47/91/34/418479134.db2.gz LZUUJLQIIRCTTM-SFHVURJKSA-N 2 2 312.417 1.202 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246952872 222225392 /nfs/dbraw/zinc/22/53/92/222225392.db2.gz UQUSQSGPKKHABY-DOTOQJQBSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246952872 222225396 /nfs/dbraw/zinc/22/53/96/222225396.db2.gz UQUSQSGPKKHABY-DOTOQJQBSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246952872 222225399 /nfs/dbraw/zinc/22/53/99/222225399.db2.gz UQUSQSGPKKHABY-DOTOQJQBSA-N 2 2 318.465 1.697 20 30 DDEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246952872 222225403 /nfs/dbraw/zinc/22/54/03/222225403.db2.gz UQUSQSGPKKHABY-DOTOQJQBSA-N 2 2 318.465 1.697 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264153270 222325991 /nfs/dbraw/zinc/32/59/91/222325991.db2.gz ZSXOHMKLDWZLMM-GDBMZVCRSA-N 2 2 304.438 1.590 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264153270 222325994 /nfs/dbraw/zinc/32/59/94/222325994.db2.gz ZSXOHMKLDWZLMM-GDBMZVCRSA-N 2 2 304.438 1.590 20 30 DDEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCSCC1 ZINC000262240001 222273884 /nfs/dbraw/zinc/27/38/84/222273884.db2.gz HQWVAPMFTPNVFI-UHFFFAOYSA-N 2 2 315.446 1.795 20 30 DDEDLP C[NH+]=C(NCC1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262949338 222299423 /nfs/dbraw/zinc/29/94/23/222299423.db2.gz BLVSJXDPIODWJF-UHFFFAOYSA-N 2 2 322.497 1.987 20 30 DDEDLP C=C(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264114955 222319230 /nfs/dbraw/zinc/31/92/30/222319230.db2.gz SGBHFEBHGZVZHA-MRXNPFEDSA-N 2 2 315.465 1.678 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000359123081 418655412 /nfs/dbraw/zinc/65/54/12/418655412.db2.gz ITNLHINXMBGXNO-OAHLLOKOSA-N 2 2 318.469 2.357 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376480339 418697946 /nfs/dbraw/zinc/69/79/46/418697946.db2.gz YDOORHGIKQHBTO-DJIMGWMZSA-N 2 2 321.465 1.252 20 30 DDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376480339 418697948 /nfs/dbraw/zinc/69/79/48/418697948.db2.gz YDOORHGIKQHBTO-DJIMGWMZSA-N 2 2 321.465 1.252 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372004086 418830162 /nfs/dbraw/zinc/83/01/62/418830162.db2.gz RHFCJBSUMQTLIJ-HNNXBMFYSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372004086 418830164 /nfs/dbraw/zinc/83/01/64/418830164.db2.gz RHFCJBSUMQTLIJ-HNNXBMFYSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364743552 418806917 /nfs/dbraw/zinc/80/69/17/418806917.db2.gz RRFHNVCODBQLHG-IRXDYDNUSA-N 2 2 305.466 1.712 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364743552 418806919 /nfs/dbraw/zinc/80/69/19/418806919.db2.gz RRFHNVCODBQLHG-IRXDYDNUSA-N 2 2 305.466 1.712 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000424133984 228232468 /nfs/dbraw/zinc/23/24/68/228232468.db2.gz NBTXOZUFMOYYKT-HNNXBMFYSA-N 2 2 316.405 1.478 20 30 DDEDLP Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425225252 228394756 /nfs/dbraw/zinc/39/47/56/228394756.db2.gz LZOZZMWPJNYEFM-MRXNPFEDSA-N 2 2 315.421 1.038 20 30 DDEDLP Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425225252 228394758 /nfs/dbraw/zinc/39/47/58/228394758.db2.gz LZOZZMWPJNYEFM-MRXNPFEDSA-N 2 2 315.421 1.038 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCC#N)CC2)CC1 ZINC000422176320 419868852 /nfs/dbraw/zinc/86/88/52/419868852.db2.gz HGZGNVDKZOLNPY-UHFFFAOYSA-N 2 2 321.469 1.492 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCC#N)CC2)CC1 ZINC000422176320 419868857 /nfs/dbraw/zinc/86/88/57/419868857.db2.gz HGZGNVDKZOLNPY-UHFFFAOYSA-N 2 2 321.469 1.492 20 30 DDEDLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459765569 420867977 /nfs/dbraw/zinc/86/79/77/420867977.db2.gz ZHKTUXNNRZABGK-ZWKOTPCHSA-N 2 2 315.417 1.526 20 30 DDEDLP C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000516922198 421578333 /nfs/dbraw/zinc/57/83/33/421578333.db2.gz OEPCQSJQRSSZCS-FUHWJXTLSA-N 2 2 316.449 1.854 20 30 DDEDLP C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000516922198 421578336 /nfs/dbraw/zinc/57/83/36/421578336.db2.gz OEPCQSJQRSSZCS-FUHWJXTLSA-N 2 2 316.449 1.854 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568166437 421618036 /nfs/dbraw/zinc/61/80/36/421618036.db2.gz KUCZQFDYZSWNOB-CABCVRRESA-N 2 2 302.422 1.799 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568166437 421618041 /nfs/dbraw/zinc/61/80/41/421618041.db2.gz KUCZQFDYZSWNOB-CABCVRRESA-N 2 2 302.422 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069062 421716093 /nfs/dbraw/zinc/71/60/93/421716093.db2.gz UDFHDYCBYAKKGG-KGLIPLIRSA-N 2 2 303.410 1.218 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069062 421716097 /nfs/dbraw/zinc/71/60/97/421716097.db2.gz UDFHDYCBYAKKGG-KGLIPLIRSA-N 2 2 303.410 1.218 20 30 DDEDLP C[C@H](C#N)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541017281 421783594 /nfs/dbraw/zinc/78/35/94/421783594.db2.gz SIODYYAPIZLHIQ-CYBMUJFWSA-N 2 2 307.442 1.004 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1C1CC[NH+](C)CC1 ZINC000377679040 267053244 /nfs/dbraw/zinc/05/32/44/267053244.db2.gz OIIRDSYTYJHIDF-CQSZACIVSA-N 2 2 302.422 1.752 20 30 DDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711593 267053296 /nfs/dbraw/zinc/05/32/96/267053296.db2.gz XPLHHHDZMADZDH-PBHICJAKSA-N 2 2 302.422 1.609 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000329742631 276222212 /nfs/dbraw/zinc/22/22/12/276222212.db2.gz PPBPKBVUPSVQKY-IOASZLSFSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000329742631 276222213 /nfs/dbraw/zinc/22/22/13/276222213.db2.gz PPBPKBVUPSVQKY-IOASZLSFSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000329742631 276222214 /nfs/dbraw/zinc/22/22/14/276222214.db2.gz PPBPKBVUPSVQKY-IOASZLSFSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000329742631 276222215 /nfs/dbraw/zinc/22/22/15/276222215.db2.gz PPBPKBVUPSVQKY-IOASZLSFSA-N 2 2 319.453 1.843 20 30 DDEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000386794930 325762051 /nfs/dbraw/zinc/76/20/51/325762051.db2.gz MMTBSLGUVYWAJA-DZGCQCFKSA-N 2 2 300.362 1.173 20 30 DDEDLP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](C#N)CCC#N)ccn2)CC1 ZINC000558506920 331915119 /nfs/dbraw/zinc/91/51/19/331915119.db2.gz XPRXZXSSEZCTJD-INIZCTEOSA-N 2 2 312.421 1.367 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444620 341294637 /nfs/dbraw/zinc/29/46/37/341294637.db2.gz YEBUGDHDBGIESK-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444620 341294638 /nfs/dbraw/zinc/29/46/38/341294638.db2.gz YEBUGDHDBGIESK-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444620 341294639 /nfs/dbraw/zinc/29/46/39/341294639.db2.gz YEBUGDHDBGIESK-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245444620 341294640 /nfs/dbraw/zinc/29/46/40/341294640.db2.gz YEBUGDHDBGIESK-JKSUJKDBSA-N 2 2 320.481 1.991 20 30 DDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491166099 526654491 /nfs/dbraw/zinc/65/44/91/526654491.db2.gz PMTMOMPURUJTFB-UHFFFAOYSA-N 2 2 313.445 1.674 20 30 DDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491166099 526654497 /nfs/dbraw/zinc/65/44/97/526654497.db2.gz PMTMOMPURUJTFB-UHFFFAOYSA-N 2 2 313.445 1.674 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000491473304 526810772 /nfs/dbraw/zinc/81/07/72/526810772.db2.gz CEZWFRNNYWCNJU-HNNXBMFYSA-N 2 2 303.410 1.012 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000491473304 526810776 /nfs/dbraw/zinc/81/07/76/526810776.db2.gz CEZWFRNNYWCNJU-HNNXBMFYSA-N 2 2 303.410 1.012 20 30 DDEDLP C=C1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000341993250 526902392 /nfs/dbraw/zinc/90/23/92/526902392.db2.gz LFAXVGTWWJRBMW-MRXNPFEDSA-N 2 2 309.454 1.111 20 30 DDEDLP C=C1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000341993250 526902396 /nfs/dbraw/zinc/90/23/96/526902396.db2.gz LFAXVGTWWJRBMW-MRXNPFEDSA-N 2 2 309.454 1.111 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000490923260 526951798 /nfs/dbraw/zinc/95/17/98/526951798.db2.gz JQADWSSKZNLHGB-LJQANCHMSA-N 2 2 311.429 1.505 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817943 695102018 /nfs/dbraw/zinc/10/20/18/695102018.db2.gz KYKJSLCZVFJPKJ-UONOGXRCSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971817943 695102021 /nfs/dbraw/zinc/10/20/21/695102021.db2.gz KYKJSLCZVFJPKJ-UONOGXRCSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817943 695102024 /nfs/dbraw/zinc/10/20/24/695102024.db2.gz KYKJSLCZVFJPKJ-UONOGXRCSA-N 2 2 302.422 1.542 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971817943 695102025 /nfs/dbraw/zinc/10/20/25/695102025.db2.gz KYKJSLCZVFJPKJ-UONOGXRCSA-N 2 2 302.422 1.542 20 30 DDEDLP CC(C)[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCOCC1 ZINC000104159993 696619028 /nfs/dbraw/zinc/61/90/28/696619028.db2.gz TUPYUSAQDKEZSH-KRWDZBQOSA-N 2 2 318.465 1.490 20 30 DDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N(C)C[C@H]1CCOC1 ZINC000155964569 696956277 /nfs/dbraw/zinc/95/62/77/696956277.db2.gz ALUHCTDVNOGFRX-CQSZACIVSA-N 2 2 319.453 1.306 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103266 697005351 /nfs/dbraw/zinc/00/53/51/697005351.db2.gz UHOCOVKVTVMPSG-CABCVRRESA-N 2 2 316.449 1.965 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292625 697085609 /nfs/dbraw/zinc/08/56/09/697085609.db2.gz RDJSOVROEIDDHQ-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000982292625 697085611 /nfs/dbraw/zinc/08/56/11/697085611.db2.gz RDJSOVROEIDDHQ-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292625 697085613 /nfs/dbraw/zinc/08/56/13/697085613.db2.gz RDJSOVROEIDDHQ-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982292625 697085614 /nfs/dbraw/zinc/08/56/14/697085614.db2.gz RDJSOVROEIDDHQ-HDICACEKSA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981454368 697101621 /nfs/dbraw/zinc/10/16/21/697101621.db2.gz BPNUMJUWLHOSQG-CHWSQXEVSA-N 2 2 310.829 1.732 20 30 DDEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000985666925 697552756 /nfs/dbraw/zinc/55/27/56/697552756.db2.gz MYBFUTFMHSUQBL-HUUCEWRRSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000985666925 697552757 /nfs/dbraw/zinc/55/27/57/697552757.db2.gz MYBFUTFMHSUQBL-HUUCEWRRSA-N 2 2 300.406 1.080 20 30 DDEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000987312952 698080036 /nfs/dbraw/zinc/08/00/36/698080036.db2.gz WOBDOVHQZHCDCW-UKRRQHHQSA-N 2 2 309.373 1.093 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502505 699338394 /nfs/dbraw/zinc/33/83/94/699338394.db2.gz KWUPDPRMJBUTHA-RDJZCZTQSA-N 2 2 316.405 1.096 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C[NH+](C)C)on3)CCC[C@H]12 ZINC000991502505 699338399 /nfs/dbraw/zinc/33/83/99/699338399.db2.gz KWUPDPRMJBUTHA-RDJZCZTQSA-N 2 2 316.405 1.096 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106192 699501880 /nfs/dbraw/zinc/50/18/80/699501880.db2.gz VVLHQQUESHEXRD-YVSFHVDLSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106192 699501882 /nfs/dbraw/zinc/50/18/82/699501882.db2.gz VVLHQQUESHEXRD-YVSFHVDLSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106192 699501884 /nfs/dbraw/zinc/50/18/84/699501884.db2.gz VVLHQQUESHEXRD-YVSFHVDLSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106192 699501885 /nfs/dbraw/zinc/50/18/85/699501885.db2.gz VVLHQQUESHEXRD-YVSFHVDLSA-N 2 2 305.466 1.567 20 30 DDEDLP C=CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734284477 699646107 /nfs/dbraw/zinc/64/61/07/699646107.db2.gz WHVCVPYCYXGNOH-OAHLLOKOSA-N 2 2 308.470 1.761 20 30 DDEDLP C=CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734284477 699646108 /nfs/dbraw/zinc/64/61/08/699646108.db2.gz WHVCVPYCYXGNOH-OAHLLOKOSA-N 2 2 308.470 1.761 20 30 DDEDLP C[C@@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000793117950 699733643 /nfs/dbraw/zinc/73/36/43/699733643.db2.gz YIUCPZFQIIOROC-CYBMUJFWSA-N 2 2 304.442 1.587 20 30 DDEDLP C#C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000817274434 702322564 /nfs/dbraw/zinc/32/25/64/702322564.db2.gz DSOWVRGOAKWSFK-RBUKOAKNSA-N 2 2 314.429 1.789 20 30 DDEDLP C#CCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656938 702437500 /nfs/dbraw/zinc/43/75/00/702437500.db2.gz RFONMEPHUHPRMA-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP C#CCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656938 702437502 /nfs/dbraw/zinc/43/75/02/702437502.db2.gz RFONMEPHUHPRMA-UHFFFAOYSA-N 2 2 305.466 1.809 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc(C#N)c3)C2)CC1 ZINC000865749271 706515358 /nfs/dbraw/zinc/51/53/58/706515358.db2.gz BQTFPRMFZWDSMD-ZDUSSCGKSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc(C#N)c3)C2)CC1 ZINC000865749271 706515360 /nfs/dbraw/zinc/51/53/60/706515360.db2.gz BQTFPRMFZWDSMD-ZDUSSCGKSA-N 2 2 302.378 1.050 20 30 DDEDLP CC#CC[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897168835 708243370 /nfs/dbraw/zinc/24/33/70/708243370.db2.gz HHAYULWCOPQZQI-UHFFFAOYSA-N 2 2 302.418 1.853 20 30 DDEDLP CC#CC[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897168835 708243372 /nfs/dbraw/zinc/24/33/72/708243372.db2.gz HHAYULWCOPQZQI-UHFFFAOYSA-N 2 2 302.418 1.853 20 30 DDEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000899981340 709257509 /nfs/dbraw/zinc/25/75/09/709257509.db2.gz 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GAAZKHJVXBSYCI-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040876422 762717432 /nfs/dbraw/zinc/71/74/32/762717432.db2.gz GAAZKHJVXBSYCI-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671788 762841479 /nfs/dbraw/zinc/84/14/79/762841479.db2.gz VLRJJOPNHZOVMU-KKUMJFAQSA-N 2 2 302.422 1.888 20 30 DDEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001050502163 763677057 /nfs/dbraw/zinc/67/70/57/763677057.db2.gz GEKFRVXHLXPZDB-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042124446 763678643 /nfs/dbraw/zinc/67/86/43/763678643.db2.gz GHPBNIOPSRYOJF-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001042124446 763678647 /nfs/dbraw/zinc/67/86/47/763678647.db2.gz GHPBNIOPSRYOJF-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP 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2 318.421 1.220 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132779684 769188309 /nfs/dbraw/zinc/18/83/09/769188309.db2.gz IGZMKLOOBUZPKX-AWEZNQCLSA-N 2 2 315.845 1.088 20 30 DDEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132779684 769188315 /nfs/dbraw/zinc/18/83/15/769188315.db2.gz IGZMKLOOBUZPKX-AWEZNQCLSA-N 2 2 315.845 1.088 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132874068 769278375 /nfs/dbraw/zinc/27/83/75/769278375.db2.gz DARHMNYILACCOT-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132874068 769278383 /nfs/dbraw/zinc/27/83/83/769278383.db2.gz DARHMNYILACCOT-CABCVRRESA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021484 769411395 /nfs/dbraw/zinc/41/13/95/769411395.db2.gz OWMZBBQQCMVLTG-JKSUJKDBSA-N 2 2 304.438 1.924 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048791944 769892227 /nfs/dbraw/zinc/89/22/27/769892227.db2.gz CHNZLGPCNUSHBD-BETUJISGSA-N 2 2 308.813 1.485 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048791944 769892245 /nfs/dbraw/zinc/89/22/45/769892245.db2.gz CHNZLGPCNUSHBD-BETUJISGSA-N 2 2 308.813 1.485 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071769012 770036714 /nfs/dbraw/zinc/03/67/14/770036714.db2.gz IPNCMGRSPUHLTA-GOEBONIOSA-N 2 2 317.433 1.947 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071769012 770036728 /nfs/dbraw/zinc/03/67/28/770036728.db2.gz IPNCMGRSPUHLTA-GOEBONIOSA-N 2 2 317.433 1.947 20 30 DDEDLP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612351 771018180 /nfs/dbraw/zinc/01/81/80/771018180.db2.gz MOJWDJBARXYYAP-GJZGRUSLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH+]ccn1C ZINC001049612351 771018190 /nfs/dbraw/zinc/01/81/90/771018190.db2.gz MOJWDJBARXYYAP-GJZGRUSLSA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736606 771530505 /nfs/dbraw/zinc/53/05/05/771530505.db2.gz WKYUQUHWTZFQLE-ARFHVFGLSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853308 771752988 /nfs/dbraw/zinc/75/29/88/771752988.db2.gz VFOHQEGHPPXYSZ-ZIAGYGMSSA-N 2 2 311.389 1.387 20 30 DDEDLP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030886 771839544 /nfs/dbraw/zinc/83/95/44/771839544.db2.gz DJPOTYSNDOVCGK-QWHCGFSZSA-N 2 2 308.426 1.336 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106017 772528363 /nfs/dbraw/zinc/52/83/63/772528363.db2.gz DIQQYBBZLARKTQ-MOKVOYLWSA-N 2 2 322.840 1.682 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358780 773757011 /nfs/dbraw/zinc/75/70/11/773757011.db2.gz JZXLZSNNXVNLAT-RRFJBIMHSA-N 2 2 302.422 1.801 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358780 773757013 /nfs/dbraw/zinc/75/70/13/773757013.db2.gz JZXLZSNNXVNLAT-RRFJBIMHSA-N 2 2 302.422 1.801 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199962 774001597 /nfs/dbraw/zinc/00/15/97/774001597.db2.gz YFJOOKXDYBTBOI-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199962 774001602 /nfs/dbraw/zinc/00/16/02/774001602.db2.gz YFJOOKXDYBTBOI-QAPCUYQASA-N 2 2 316.449 1.709 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747313 774248139 /nfs/dbraw/zinc/24/81/39/774248139.db2.gz BSEYQJVCEDXWAI-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747313 774248142 /nfs/dbraw/zinc/24/81/42/774248142.db2.gz BSEYQJVCEDXWAI-OWCLPIDISA-N 2 2 316.449 1.706 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165803 774874290 /nfs/dbraw/zinc/87/42/90/774874290.db2.gz PMAVNHQYDBMTQZ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165803 774874300 /nfs/dbraw/zinc/87/43/00/774874300.db2.gz PMAVNHQYDBMTQZ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309942 774941804 /nfs/dbraw/zinc/94/18/04/774941804.db2.gz HGLIAUNQXMVNPI-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309942 774941805 /nfs/dbraw/zinc/94/18/05/774941805.db2.gz HGLIAUNQXMVNPI-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171604540 776366963 /nfs/dbraw/zinc/36/69/63/776366963.db2.gz IKGVEWVETPQSEQ-HZPDHXFCSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171607155 776368461 /nfs/dbraw/zinc/36/84/61/776368461.db2.gz ZNYPUTFOSLQCCO-CVEARBPZSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001094947059 776880817 /nfs/dbraw/zinc/88/08/17/776880817.db2.gz YGUJNFNMTJUOCS-JYJNAYRXSA-N 2 2 314.433 1.529 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676542 778209092 /nfs/dbraw/zinc/20/90/92/778209092.db2.gz WIEJRBUMHHEDCK-WBVHZDCISA-N 2 2 323.481 1.548 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001177138104 778457308 /nfs/dbraw/zinc/45/73/08/778457308.db2.gz IKXGLQRKQHNLDS-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001177138104 778457311 /nfs/dbraw/zinc/45/73/11/778457311.db2.gz IKXGLQRKQHNLDS-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177138104 778457313 /nfs/dbraw/zinc/45/73/13/778457313.db2.gz IKXGLQRKQHNLDS-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177138104 778457314 /nfs/dbraw/zinc/45/73/14/778457314.db2.gz IKXGLQRKQHNLDS-IRXDYDNUSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452265 778873987 /nfs/dbraw/zinc/87/39/87/778873987.db2.gz QAMYJRLQVRYMKA-KLHDSHLOSA-N 2 2 316.449 1.784 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103452265 778873990 /nfs/dbraw/zinc/87/39/90/778873990.db2.gz QAMYJRLQVRYMKA-KLHDSHLOSA-N 2 2 316.449 1.784 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178851463 779199460 /nfs/dbraw/zinc/19/94/60/779199460.db2.gz BLAUIHSRKUCLLU-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179557794 779418731 /nfs/dbraw/zinc/41/87/31/779418731.db2.gz RBNWPXJVAWSWOF-YJNKXOJESA-N 2 2 302.422 1.679 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1conc1C ZINC001267242983 837592339 /nfs/dbraw/zinc/59/23/39/837592339.db2.gz FIBLLSVNRRDFKV-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1conc1C ZINC001267242983 837592342 /nfs/dbraw/zinc/59/23/42/837592342.db2.gz FIBLLSVNRRDFKV-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1conc1C ZINC001267242983 837592345 /nfs/dbraw/zinc/59/23/45/837592345.db2.gz FIBLLSVNRRDFKV-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1conc1C ZINC001267242983 837592351 /nfs/dbraw/zinc/59/23/51/837592351.db2.gz FIBLLSVNRRDFKV-INIZCTEOSA-N 2 2 318.421 1.019 20 30 DDEDLP C=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409164 836218655 /nfs/dbraw/zinc/21/86/55/836218655.db2.gz DVSQWIXOWHNBNK-HZPDHXFCSA-N 2 2 317.437 1.460 20 30 DDEDLP C=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409164 836218665 /nfs/dbraw/zinc/21/86/65/836218665.db2.gz DVSQWIXOWHNBNK-HZPDHXFCSA-N 2 2 317.437 1.460 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266520449 836404442 /nfs/dbraw/zinc/40/44/42/836404442.db2.gz NIZILOTZTBHQBI-CQSZACIVSA-N 2 2 301.390 1.094 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266520449 836404446 /nfs/dbraw/zinc/40/44/46/836404446.db2.gz NIZILOTZTBHQBI-CQSZACIVSA-N 2 2 301.390 1.094 20 30 DDEDLP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466378 838113814 /nfs/dbraw/zinc/11/38/14/838113814.db2.gz NQRJLJWEPNKWQA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267466378 838113822 /nfs/dbraw/zinc/11/38/22/838113822.db2.gz NQRJLJWEPNKWQA-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001267489564 838170033 /nfs/dbraw/zinc/17/00/33/838170033.db2.gz UZQVUQCAXOFDLW-OAHLLOKOSA-N 2 2 316.449 1.593 20 30 DDEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267614760 838472523 /nfs/dbraw/zinc/47/25/23/838472523.db2.gz RBCXYYWQNCAQAX-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267614760 838472526 /nfs/dbraw/zinc/47/25/26/838472526.db2.gz RBCXYYWQNCAQAX-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267614760 838472527 /nfs/dbraw/zinc/47/25/27/838472527.db2.gz RBCXYYWQNCAQAX-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267614760 838472530 /nfs/dbraw/zinc/47/25/30/838472530.db2.gz RBCXYYWQNCAQAX-SJORKVTESA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267809432 839014204 /nfs/dbraw/zinc/01/42/04/839014204.db2.gz LJCDBLFBSQWETP-HOTGVXAUSA-N 2 2 304.438 1.978 20 30 DDEDLP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001326412472 861346058 /nfs/dbraw/zinc/34/60/58/861346058.db2.gz UBNGZQLRTIJHRL-ZDUSSCGKSA-N 2 2 310.829 1.543 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744860 842867729 /nfs/dbraw/zinc/86/77/29/842867729.db2.gz PQQKDLMFMXPRKI-YJBOKZPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001271021576 843141217 /nfs/dbraw/zinc/14/12/17/843141217.db2.gz PLGYIURZWOIAOA-CABCVRRESA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCC[NH+]1CC(O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001271297957 843472560 /nfs/dbraw/zinc/47/25/60/843472560.db2.gz PXRVNSSGPQMVAI-UHFFFAOYSA-N 2 2 323.462 1.162 20 30 DDEDLP C=CCCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001280394505 843539574 /nfs/dbraw/zinc/53/95/74/843539574.db2.gz PEFRFTRJAUZTCJ-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001271551895 843691366 /nfs/dbraw/zinc/69/13/66/843691366.db2.gz RRVGSYZPLATFDP-HUUCEWRRSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155024232 861656550 /nfs/dbraw/zinc/65/65/50/861656550.db2.gz USCQRJHALXKRGG-GFCCVEGCSA-N 2 2 320.275 1.673 20 30 DDEDLP C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155024232 861656560 /nfs/dbraw/zinc/65/65/60/861656560.db2.gz USCQRJHALXKRGG-GFCCVEGCSA-N 2 2 320.275 1.673 20 30 DDEDLP N#Cc1c2c(cnc1-n1c[nH+]cc1C1CC[NH2+]CC1)C[NH2+]CCC2 ZINC001155053414 861683057 /nfs/dbraw/zinc/68/30/57/861683057.db2.gz NDQUWFAVPFVRGM-UHFFFAOYSA-N 3 2 322.416 1.642 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC000995952747 846798337 /nfs/dbraw/zinc/79/83/37/846798337.db2.gz RWJMWXOJXNXDDK-CQSZACIVSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034250419 848159244 /nfs/dbraw/zinc/15/92/44/848159244.db2.gz UKALBANFOAVVDQ-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034250419 848159251 /nfs/dbraw/zinc/15/92/51/848159251.db2.gz UKALBANFOAVVDQ-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCF)C1 ZINC001034250419 848159255 /nfs/dbraw/zinc/15/92/55/848159255.db2.gz UKALBANFOAVVDQ-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCF)C1 ZINC001034250419 848159261 /nfs/dbraw/zinc/15/92/61/848159261.db2.gz UKALBANFOAVVDQ-HOTGVXAUSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034250417 848159384 /nfs/dbraw/zinc/15/93/84/848159384.db2.gz UKALBANFOAVVDQ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034250417 848159389 /nfs/dbraw/zinc/15/93/89/848159389.db2.gz UKALBANFOAVVDQ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCF)C1 ZINC001034250417 848159394 /nfs/dbraw/zinc/15/93/94/848159394.db2.gz UKALBANFOAVVDQ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCF)C1 ZINC001034250417 848159401 /nfs/dbraw/zinc/15/94/01/848159401.db2.gz UKALBANFOAVVDQ-CVEARBPZSA-N 2 2 309.429 1.414 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276382 848230948 /nfs/dbraw/zinc/23/09/48/848230948.db2.gz NZCLTLGFXPLHQV-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001034276382 848230956 /nfs/dbraw/zinc/23/09/56/848230956.db2.gz NZCLTLGFXPLHQV-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276716 848232224 /nfs/dbraw/zinc/23/22/24/848232224.db2.gz RFUUYIUFGIRQKH-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034276716 848232233 /nfs/dbraw/zinc/23/22/33/848232233.db2.gz RFUUYIUFGIRQKH-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278039 848236182 /nfs/dbraw/zinc/23/61/82/848236182.db2.gz GMKAIRPGMLOMKV-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034278039 848236192 /nfs/dbraw/zinc/23/61/92/848236192.db2.gz GMKAIRPGMLOMKV-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273277590 849324466 /nfs/dbraw/zinc/32/44/66/849324466.db2.gz VYUABKPNCKBYJQ-AWEZNQCLSA-N 2 2 314.389 1.570 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273487615 851019925 /nfs/dbraw/zinc/01/99/25/851019925.db2.gz MVUBHFXTQCBNAY-KRWDZBQOSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273487615 851019932 /nfs/dbraw/zinc/01/99/32/851019932.db2.gz MVUBHFXTQCBNAY-KRWDZBQOSA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785822 851344224 /nfs/dbraw/zinc/34/42/24/851344224.db2.gz ZETUACSIUBRAQG-QGZVFWFLSA-N 2 2 316.405 1.300 20 30 DDEDLP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785822 851344230 /nfs/dbraw/zinc/34/42/30/851344230.db2.gz ZETUACSIUBRAQG-QGZVFWFLSA-N 2 2 316.405 1.300 20 30 DDEDLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC#Cc1ccccc1 ZINC001274815438 852611928 /nfs/dbraw/zinc/61/19/28/852611928.db2.gz CRRYLIYEHHNUIS-INIZCTEOSA-N 2 2 324.428 1.499 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663547 862403104 /nfs/dbraw/zinc/40/31/04/862403104.db2.gz LFBNLGFKPOWLKY-OAHLLOKOSA-N 2 2 320.437 1.434 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663547 862403108 /nfs/dbraw/zinc/40/31/08/862403108.db2.gz LFBNLGFKPOWLKY-OAHLLOKOSA-N 2 2 320.437 1.434 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717087 862430606 /nfs/dbraw/zinc/43/06/06/862430606.db2.gz WTXOKDIZQLJRER-AWEZNQCLSA-N 2 2 315.845 1.042 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717087 862430610 /nfs/dbraw/zinc/43/06/10/862430610.db2.gz WTXOKDIZQLJRER-AWEZNQCLSA-N 2 2 315.845 1.042 20 30 DDEDLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001275550133 853319653 /nfs/dbraw/zinc/31/96/53/853319653.db2.gz DZVIAZUULNNLJM-UHFFFAOYSA-N 2 2 314.433 1.333 20 30 DDEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276309925 855570782 /nfs/dbraw/zinc/57/07/82/855570782.db2.gz AXWIVLHWECBGQF-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276309925 855570790 /nfs/dbraw/zinc/57/07/90/855570790.db2.gz AXWIVLHWECBGQF-MRXNPFEDSA-N 2 2 302.422 1.657 20 30 DDEDLP C[NH+](C)Cc1csc(CNC(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC001122150456 858696829 /nfs/dbraw/zinc/69/68/29/858696829.db2.gz ALVMJZWYVLVHTE-LBPRGKRZSA-N 2 2 309.439 1.232 20 30 DDEDLP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330403769 864314297 /nfs/dbraw/zinc/31/42/97/864314297.db2.gz LZDRJAGZQCXZBW-GJZGRUSLSA-N 2 2 320.437 1.318 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001330425737 864333907 /nfs/dbraw/zinc/33/39/07/864333907.db2.gz MWCTYFYNGHOPME-HOCLYGCPSA-N 2 2 320.437 1.134 20 30 DDEDLP N#CCc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158271315 864532223 /nfs/dbraw/zinc/53/22/23/864532223.db2.gz ZWQLCBZTORYEFZ-ZDUSSCGKSA-N 2 2 319.840 1.803 20 30 DDEDLP N#CCc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158271315 864532232 /nfs/dbraw/zinc/53/22/32/864532232.db2.gz ZWQLCBZTORYEFZ-ZDUSSCGKSA-N 2 2 319.840 1.803 20 30 DDEDLP N#CCN(Cc1ccccc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160670356 866009311 /nfs/dbraw/zinc/00/93/11/866009311.db2.gz XOWLSVHURZJISA-QGZVFWFLSA-N 2 2 308.385 1.811 20 30 DDEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CC ZINC001323147881 866383256 /nfs/dbraw/zinc/38/32/56/866383256.db2.gz HUHNHGZNIMDSHH-HOTGVXAUSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377883 866604054 /nfs/dbraw/zinc/60/40/54/866604054.db2.gz JBFQOKLLXMYBHD-SJORKVTESA-N 3 2 322.497 1.474 20 30 DDEDLP C=C(C)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)(COC)CC1 ZINC001162553129 867636157 /nfs/dbraw/zinc/63/61/57/867636157.db2.gz INGFDQDTSFVVHF-UHFFFAOYSA-N 2 2 320.437 1.373 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001335456800 868310683 /nfs/dbraw/zinc/31/06/83/868310683.db2.gz HJNGWGNXSMPIKP-ZWKOTPCHSA-N 2 2 302.418 1.158 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336713326 869105813 /nfs/dbraw/zinc/10/58/13/869105813.db2.gz OWBKDVYRZKGDBF-INIZCTEOSA-N 2 2 303.362 1.315 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787110 871503632 /nfs/dbraw/zinc/50/36/32/871503632.db2.gz CBALMHCZLIKHAK-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787110 871503656 /nfs/dbraw/zinc/50/36/56/871503656.db2.gz CBALMHCZLIKHAK-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC#Cc1ccccc1 ZINC001318595166 872162030 /nfs/dbraw/zinc/16/20/30/872162030.db2.gz NSNNTSNUVZMNCC-QGZVFWFLSA-N 2 2 324.428 1.499 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001342405122 872192893 /nfs/dbraw/zinc/19/28/93/872192893.db2.gz MURCAHMOOBBXHD-UHFFFAOYSA-N 2 2 318.396 1.129 20 30 DDEDLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001342911038 872433404 /nfs/dbraw/zinc/43/34/04/872433404.db2.gz FAUXUHCTBZYDGG-CQSZACIVSA-N 2 2 303.410 1.537 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322557 872572035 /nfs/dbraw/zinc/57/20/35/872572035.db2.gz MNLZKTYEIQQWIT-ZFWWWQNUSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001319322557 872572052 /nfs/dbraw/zinc/57/20/52/872572052.db2.gz MNLZKTYEIQQWIT-ZFWWWQNUSA-N 2 2 306.410 1.124 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208438977 874142600 /nfs/dbraw/zinc/14/26/00/874142600.db2.gz LARKHUHMBVXGJQ-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208446984 874147975 /nfs/dbraw/zinc/14/79/75/874147975.db2.gz DYAWKSSBOXAEBP-LSDHHAIUSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700305 875062563 /nfs/dbraw/zinc/06/25/63/875062563.db2.gz SQMFFKZJGZCDEN-RBSFLKMASA-N 2 2 302.422 1.680 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210645887 875470185 /nfs/dbraw/zinc/47/01/85/875470185.db2.gz VSKZFPHAJNVZAG-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001379159409 876535414 /nfs/dbraw/zinc/53/54/14/876535414.db2.gz BKISPIVGSYYWLQ-UONOGXRCSA-N 2 2 310.829 1.900 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008559 876538221 /nfs/dbraw/zinc/53/82/21/876538221.db2.gz SDBVCOKPHBBVMI-QLFBSQMISA-N 2 2 302.422 1.458 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911717 881143913 /nfs/dbraw/zinc/14/39/13/881143913.db2.gz IUNOEVYEQCIONV-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911717 881143918 /nfs/dbraw/zinc/14/39/18/881143918.db2.gz IUNOEVYEQCIONV-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C#CC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001277393521 884014098 /nfs/dbraw/zinc/01/40/98/884014098.db2.gz LDKLNYYMUCIPIG-UHFFFAOYSA-N 2 2 314.433 1.299 20 30 DDEDLP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001277393521 884014110 /nfs/dbraw/zinc/01/41/10/884014110.db2.gz LDKLNYYMUCIPIG-UHFFFAOYSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230384291 884460569 /nfs/dbraw/zinc/46/05/69/884460569.db2.gz DEPBZLXECBZGNG-KRWDZBQOSA-N 2 2 314.433 1.288 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278569892 894291022 /nfs/dbraw/zinc/29/10/22/894291022.db2.gz ABLSOJZAHBLFBX-GOEBONIOSA-N 2 2 315.417 1.531 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552186 895271131 /nfs/dbraw/zinc/27/11/31/895271131.db2.gz HMNOJXDWGAMHTH-IKGGRYGDSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552186 895271148 /nfs/dbraw/zinc/27/11/48/895271148.db2.gz HMNOJXDWGAMHTH-IKGGRYGDSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552186 895271161 /nfs/dbraw/zinc/27/11/61/895271161.db2.gz HMNOJXDWGAMHTH-IKGGRYGDSA-N 2 2 304.438 1.111 20 30 DDEDLP C=C[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001252552186 895271175 /nfs/dbraw/zinc/27/11/75/895271175.db2.gz HMNOJXDWGAMHTH-IKGGRYGDSA-N 2 2 304.438 1.111 20 30 DDEDLP C=CCO[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001254646173 896547995 /nfs/dbraw/zinc/54/79/95/896547995.db2.gz WFTVPQWPWJPHFM-MRXNPFEDSA-N 2 2 317.437 1.005 20 30 DDEDLP C=CCO[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001254646173 896548008 /nfs/dbraw/zinc/54/80/08/896548008.db2.gz WFTVPQWPWJPHFM-MRXNPFEDSA-N 2 2 317.437 1.005 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367759872 897696543 /nfs/dbraw/zinc/69/65/43/897696543.db2.gz OWNCYPLIRMQIQN-NSHDSACASA-N 2 2 315.352 1.257 20 30 DDEDLP CC#CC[NH2+]C1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001265743267 902359610 /nfs/dbraw/zinc/35/96/10/902359610.db2.gz IBGIIXYMJIYVDB-UHFFFAOYSA-N 2 2 302.422 1.393 20 30 DDEDLP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001280353879 903605016 /nfs/dbraw/zinc/60/50/16/903605016.db2.gz CWJPBCFHKDUUAM-CQSZACIVSA-N 2 2 310.401 1.943 20 30 DDEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001281292416 904657201 /nfs/dbraw/zinc/65/72/01/904657201.db2.gz DLRUFMATDNHAQQ-UHFFFAOYSA-N 2 2 322.412 1.847 20 30 DDEDLP CC#CC[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001282573343 905875422 /nfs/dbraw/zinc/87/54/22/905875422.db2.gz INXCJPLWZVDWBS-OAHLLOKOSA-N 2 2 304.438 1.747 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284055774 908404243 /nfs/dbraw/zinc/40/42/43/908404243.db2.gz CAVXDCAGXMKWFR-YOEHRIQHSA-N 2 2 300.406 1.099 20 30 DDEDLP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001376173201 917873551 /nfs/dbraw/zinc/87/35/51/917873551.db2.gz NMJALYSYCGKIJE-CQSZACIVSA-N 2 2 322.840 1.996 20 30 DDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329324947 539303311 /nfs/dbraw/zinc/30/33/11/539303311.db2.gz VUCBLWDLWPYZMT-CYBMUJFWSA-N 2 2 303.410 1.671 20 30 DDEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329324947 539303312 /nfs/dbraw/zinc/30/33/12/539303312.db2.gz VUCBLWDLWPYZMT-CYBMUJFWSA-N 2 2 303.410 1.671 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1ccccc1 ZINC000080660424 353621576 /nfs/dbraw/zinc/62/15/76/353621576.db2.gz YBNUZJKXJBRLRR-UHFFFAOYSA-N 2 2 313.445 1.523 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C#Cc1ccccc1 ZINC000080660424 353621578 /nfs/dbraw/zinc/62/15/78/353621578.db2.gz YBNUZJKXJBRLRR-UHFFFAOYSA-N 2 2 313.445 1.523 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000592524151 355611968 /nfs/dbraw/zinc/61/19/68/355611968.db2.gz KFFPIIFZSOCACY-INIZCTEOSA-N 2 2 317.437 1.880 20 30 DDEDLP Cc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(C#N)c[nH+]1 ZINC000596262832 356836679 /nfs/dbraw/zinc/83/66/79/356836679.db2.gz FAOLPLLBZTUHCE-UHFFFAOYSA-N 2 2 300.406 1.593 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597989841 357406962 /nfs/dbraw/zinc/40/69/62/357406962.db2.gz KCHVFJVQEPLMSL-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597989841 357406967 /nfs/dbraw/zinc/40/69/67/357406967.db2.gz KCHVFJVQEPLMSL-UHFFFAOYSA-N 2 2 322.840 1.825 20 30 DDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600726296 358297619 /nfs/dbraw/zinc/29/76/19/358297619.db2.gz SFIBBBWUEFSEKG-IAGOWNOFSA-N 2 2 317.433 1.762 20 30 DDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1=O ZINC000602601886 359066081 /nfs/dbraw/zinc/06/60/81/359066081.db2.gz LNJUKKJNZHSOLN-YMAMQOFZSA-N 2 2 315.421 1.583 20 30 DDEDLP N#CCC1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602709784 359139779 /nfs/dbraw/zinc/13/97/79/359139779.db2.gz SGQDBZNJYUSDRD-UHFFFAOYSA-N 2 2 315.417 1.743 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603065871 359385704 /nfs/dbraw/zinc/38/57/04/359385704.db2.gz MUTAZFGMQCUGHO-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603065871 359385706 /nfs/dbraw/zinc/38/57/06/359385706.db2.gz MUTAZFGMQCUGHO-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP CC1CC(C#N)(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610712869 360514152 /nfs/dbraw/zinc/51/41/52/360514152.db2.gz OGHITBCWLDFTHG-XOYHFGRZSA-N 2 2 304.438 1.211 20 30 DDEDLP CC1CC(C#N)(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610712869 360514157 /nfs/dbraw/zinc/51/41/57/360514157.db2.gz OGHITBCWLDFTHG-XOYHFGRZSA-N 2 2 304.438 1.211 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861519 406944171 /nfs/dbraw/zinc/94/41/71/406944171.db2.gz PRTRKQWERGEJDJ-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861519 406944173 /nfs/dbraw/zinc/94/41/73/406944173.db2.gz PRTRKQWERGEJDJ-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861519 406944176 /nfs/dbraw/zinc/94/41/76/406944176.db2.gz PRTRKQWERGEJDJ-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861519 406944178 /nfs/dbraw/zinc/94/41/78/406944178.db2.gz PRTRKQWERGEJDJ-RDJZCZTQSA-N 2 2 308.470 1.847 20 30 DDEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540322 408262110 /nfs/dbraw/zinc/26/21/10/408262110.db2.gz GPWRLWUBMIJRNT-KMFMINBZSA-N 2 2 315.421 1.574 20 30 DDEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156540322 408262116 /nfs/dbraw/zinc/26/21/16/408262116.db2.gz GPWRLWUBMIJRNT-KMFMINBZSA-N 2 2 315.421 1.574 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081646 408987051 /nfs/dbraw/zinc/98/70/51/408987051.db2.gz OCBFBRYICGQSFJ-LSDHHAIUSA-N 2 2 314.433 1.537 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282081646 408987056 /nfs/dbraw/zinc/98/70/56/408987056.db2.gz OCBFBRYICGQSFJ-LSDHHAIUSA-N 2 2 314.433 1.537 20 30 DDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408077688 164220263 /nfs/dbraw/zinc/22/02/63/164220263.db2.gz AWVDPWLADDOZTC-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408077688 164220264 /nfs/dbraw/zinc/22/02/64/164220264.db2.gz AWVDPWLADDOZTC-ZDUSSCGKSA-N 2 2 315.421 1.127 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000296451410 409561767 /nfs/dbraw/zinc/56/17/67/409561767.db2.gz PAUSNVODNHVOIU-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000296451410 409561774 /nfs/dbraw/zinc/56/17/74/409561774.db2.gz PAUSNVODNHVOIU-UHFFFAOYSA-N 2 2 313.405 1.397 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329805223 410448845 /nfs/dbraw/zinc/44/88/45/410448845.db2.gz MTOPQUHPHUEYBM-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329805223 410448849 /nfs/dbraw/zinc/44/88/49/410448849.db2.gz MTOPQUHPHUEYBM-UKRRQHHQSA-N 2 2 324.469 1.084 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000299012973 410482462 /nfs/dbraw/zinc/48/24/62/410482462.db2.gz CVZHDOHFBKVJDL-UHFFFAOYSA-N 2 2 315.417 1.269 20 30 DDEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCSCC1 ZINC000170912453 221748875 /nfs/dbraw/zinc/74/88/75/221748875.db2.gz YMAGOPROROBISR-UHFFFAOYSA-N 2 2 302.407 1.131 20 30 DDEDLP C[C@@H]1C[N@H+](CCCSCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360691924 418493260 /nfs/dbraw/zinc/49/32/60/418493260.db2.gz NQVJVAHDHNHJEY-CVEARBPZSA-N 2 2 310.511 1.591 20 30 DDEDLP C[C@@H]1C[N@@H+](CCCSCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360691924 418493262 /nfs/dbraw/zinc/49/32/62/418493262.db2.gz NQVJVAHDHNHJEY-CVEARBPZSA-N 2 2 310.511 1.591 20 30 DDEDLP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H](C)C#N ZINC000248402405 222235150 /nfs/dbraw/zinc/23/51/50/222235150.db2.gz UZAVESWCWVKCMT-DOTOQJQBSA-N 2 2 316.449 1.887 20 30 DDEDLP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H](C)C#N ZINC000248402405 222235153 /nfs/dbraw/zinc/23/51/53/222235153.db2.gz UZAVESWCWVKCMT-DOTOQJQBSA-N 2 2 316.449 1.887 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264149522 222325908 /nfs/dbraw/zinc/32/59/08/222325908.db2.gz YUUYHNKBYQMZJW-MRXNPFEDSA-N 2 2 304.438 1.544 20 30 DDEDLP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264149522 222325911 /nfs/dbraw/zinc/32/59/11/222325911.db2.gz YUUYHNKBYQMZJW-MRXNPFEDSA-N 2 2 304.438 1.544 20 30 DDEDLP CC(C)Oc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262288388 222274520 /nfs/dbraw/zinc/27/45/20/222274520.db2.gz GFXQAWUVNWWPOR-INIZCTEOSA-N 2 2 304.438 1.968 20 30 DDEDLP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264073557 222314739 /nfs/dbraw/zinc/31/47/39/222314739.db2.gz DVOIYTCVOKEJAA-UHFFFAOYSA-N 2 2 304.438 1.675 20 30 DDEDLP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000264121271 222320690 /nfs/dbraw/zinc/32/06/90/222320690.db2.gz RCQBAPMOUBLCKC-MRXNPFEDSA-N 2 2 320.437 1.779 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461319 418642291 /nfs/dbraw/zinc/64/22/91/418642291.db2.gz FJEIZZAOLIXDSS-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC1(C)C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000367738135 418628217 /nfs/dbraw/zinc/62/82/17/418628217.db2.gz RTXIXAIAWJGNEZ-MRXNPFEDSA-N 2 2 324.432 1.792 20 30 DDEDLP CC1(C)C[C@@H]([NH2+]CCn2cnc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000367738135 418628219 /nfs/dbraw/zinc/62/82/19/418628219.db2.gz RTXIXAIAWJGNEZ-MRXNPFEDSA-N 2 2 324.432 1.792 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000362719519 418759278 /nfs/dbraw/zinc/75/92/78/418759278.db2.gz LFVZKSJICAVWAT-AEFFLSMTSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000362719519 418759281 /nfs/dbraw/zinc/75/92/81/418759281.db2.gz LFVZKSJICAVWAT-AEFFLSMTSA-N 2 2 300.402 1.651 20 30 DDEDLP N#C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378445615 418722755 /nfs/dbraw/zinc/72/27/55/418722755.db2.gz SZBTUPJFFNNICA-RDTXWAMCSA-N 2 2 321.384 1.619 20 30 DDEDLP N#C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378445615 418722757 /nfs/dbraw/zinc/72/27/57/418722757.db2.gz SZBTUPJFFNNICA-RDTXWAMCSA-N 2 2 321.384 1.619 20 30 DDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000371633620 418806409 /nfs/dbraw/zinc/80/64/09/418806409.db2.gz RPJGHFWNRQCIFE-AWEZNQCLSA-N 2 2 306.454 1.744 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000424133985 228232954 /nfs/dbraw/zinc/23/29/54/228232954.db2.gz NBTXOZUFMOYYKT-OAHLLOKOSA-N 2 2 316.405 1.478 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567748824 421614733 /nfs/dbraw/zinc/61/47/33/421614733.db2.gz KWIXZTMNKVELBO-AWEZNQCLSA-N 2 2 306.435 1.413 20 30 DDEDLP CC(C)[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475733 421792280 /nfs/dbraw/zinc/79/22/80/421792280.db2.gz RIUVTSXJOUJOKA-QZTJIDSGSA-N 2 2 324.513 1.683 20 30 DDEDLP CC(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475733 421792284 /nfs/dbraw/zinc/79/22/84/421792284.db2.gz RIUVTSXJOUJOKA-QZTJIDSGSA-N 2 2 324.513 1.683 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C[NH3+])C1 ZINC000574904643 422209645 /nfs/dbraw/zinc/20/96/45/422209645.db2.gz RIFFCKWYQJVIBD-OAHLLOKOSA-N 2 2 315.421 1.594 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C[NH3+])C1 ZINC000574904643 422209653 /nfs/dbraw/zinc/20/96/53/422209653.db2.gz RIFFCKWYQJVIBD-OAHLLOKOSA-N 2 2 315.421 1.594 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310720 423312114 /nfs/dbraw/zinc/31/21/14/423312114.db2.gz DIWIXWPQXQILMB-BBWFWOEESA-N 2 2 321.465 1.204 20 30 DDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310720 423312119 /nfs/dbraw/zinc/31/21/19/423312119.db2.gz DIWIXWPQXQILMB-BBWFWOEESA-N 2 2 321.465 1.204 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC#Cc1ccccc1 ZINC000663547284 423932802 /nfs/dbraw/zinc/93/28/02/423932802.db2.gz FBMYDWIZIHOKLE-UHFFFAOYSA-N 2 2 316.449 1.221 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC#Cc1ccccc1 ZINC000663547284 423932818 /nfs/dbraw/zinc/93/28/18/423932818.db2.gz FBMYDWIZIHOKLE-UHFFFAOYSA-N 2 2 316.449 1.221 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833776 424782565 /nfs/dbraw/zinc/78/25/65/424782565.db2.gz QPIXKOSVFUSLQD-MPTYRVRUSA-N 2 2 309.454 1.299 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662833776 424782569 /nfs/dbraw/zinc/78/25/69/424782569.db2.gz QPIXKOSVFUSLQD-MPTYRVRUSA-N 2 2 309.454 1.299 20 30 DDEDLP Cc1ccc(C#N)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374253350 267375778 /nfs/dbraw/zinc/37/57/78/267375778.db2.gz HSTJXGAIQCGMLS-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893268 336376345 /nfs/dbraw/zinc/37/63/45/336376345.db2.gz NRXFAHICTRHNDI-HOCLYGCPSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000525893268 336376346 /nfs/dbraw/zinc/37/63/46/336376346.db2.gz NRXFAHICTRHNDI-HOCLYGCPSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000525893268 336376347 /nfs/dbraw/zinc/37/63/47/336376347.db2.gz NRXFAHICTRHNDI-HOCLYGCPSA-N 2 2 316.449 1.498 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000525893268 336376348 /nfs/dbraw/zinc/37/63/48/336376348.db2.gz NRXFAHICTRHNDI-HOCLYGCPSA-N 2 2 316.449 1.498 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000118989170 336875938 /nfs/dbraw/zinc/87/59/38/336875938.db2.gz LTMNCELDZJFXTH-INIZCTEOSA-N 2 2 312.417 1.122 20 30 DDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000576289498 341838550 /nfs/dbraw/zinc/83/85/50/341838550.db2.gz GQIVPQNJDFGWHR-AWEZNQCLSA-N 2 2 320.462 1.674 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304153 484793418 /nfs/dbraw/zinc/79/34/18/484793418.db2.gz MOHXBBYXQJBPBS-NVXWUHKLSA-N 2 2 323.481 1.642 20 30 DDEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C[NH3+])C1 ZINC000583369792 490353488 /nfs/dbraw/zinc/35/34/88/490353488.db2.gz MGOCYWDJPRTIKD-LBPRGKRZSA-N 2 2 321.812 1.513 20 30 DDEDLP C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C[NH3+])C1 ZINC000583369792 490353493 /nfs/dbraw/zinc/35/34/93/490353493.db2.gz MGOCYWDJPRTIKD-LBPRGKRZSA-N 2 2 321.812 1.513 20 30 DDEDLP C=CCOC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000459514605 526809728 /nfs/dbraw/zinc/80/97/28/526809728.db2.gz QIWITMVPUACOJG-INIZCTEOSA-N 2 2 319.405 1.384 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000433466580 528992751 /nfs/dbraw/zinc/99/27/51/528992751.db2.gz NFFMSNSRCKHYEU-QGZVFWFLSA-N 2 2 317.481 1.920 20 30 DDEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977657825 696246552 /nfs/dbraw/zinc/24/65/52/696246552.db2.gz UANWHJVZJSAKAR-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977657825 696246554 /nfs/dbraw/zinc/24/65/54/696246554.db2.gz UANWHJVZJSAKAR-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657825 696246556 /nfs/dbraw/zinc/24/65/56/696246556.db2.gz UANWHJVZJSAKAR-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977657825 696246559 /nfs/dbraw/zinc/24/65/59/696246559.db2.gz UANWHJVZJSAKAR-JKSUJKDBSA-N 2 2 305.466 1.711 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454222 696777701 /nfs/dbraw/zinc/77/77/01/696777701.db2.gz PKRCMPAPVJXYLM-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454222 696777702 /nfs/dbraw/zinc/77/77/02/696777702.db2.gz PKRCMPAPVJXYLM-DLBZAZTESA-N 2 2 321.465 1.206 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000776155682 698074535 /nfs/dbraw/zinc/07/45/35/698074535.db2.gz GHIGOHMNWHXFCQ-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000776155682 698074539 /nfs/dbraw/zinc/07/45/39/698074539.db2.gz GHIGOHMNWHXFCQ-AWEZNQCLSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000987341864 698089698 /nfs/dbraw/zinc/08/96/98/698089698.db2.gz MMDYQMKYDVGVPI-ZFWWWQNUSA-N 2 2 309.373 1.093 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987567598 698152725 /nfs/dbraw/zinc/15/27/25/698152725.db2.gz ORRSSNQWONFNRK-HIFRSBDPSA-N 2 2 319.474 1.871 20 30 DDEDLP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H]1C ZINC000987567598 698152728 /nfs/dbraw/zinc/15/27/28/698152728.db2.gz ORRSSNQWONFNRK-HIFRSBDPSA-N 2 2 319.474 1.871 20 30 DDEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987603330 698162128 /nfs/dbraw/zinc/16/21/28/698162128.db2.gz HDNZFFYLEUIFHY-YOEHRIQHSA-N 2 2 323.400 1.534 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239590 698564033 /nfs/dbraw/zinc/56/40/33/698564033.db2.gz XYOSEGYKRRSADA-ZBFHGGJFSA-N 2 2 308.385 1.698 20 30 DDEDLP COc1ccc(OC)c(NC(=[NH2+])NCCCn2cc[nH+]c2)c1 ZINC000303691159 698605651 /nfs/dbraw/zinc/60/56/51/698605651.db2.gz AKBLWFKBSMCWSR-UHFFFAOYSA-N 2 2 303.366 1.717 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC000989734895 698745280 /nfs/dbraw/zinc/74/52/80/698745280.db2.gz JJOXYIDJVZRNPW-CLTKARDFSA-N 2 2 323.868 1.618 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C/C=C\Cl)CC2)CC1 ZINC000989734895 698745283 /nfs/dbraw/zinc/74/52/83/698745283.db2.gz JJOXYIDJVZRNPW-CLTKARDFSA-N 2 2 323.868 1.618 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000730280752 699506383 /nfs/dbraw/zinc/50/63/83/699506383.db2.gz ADKNJSOMWNHALZ-SFHVURJKSA-N 2 2 322.412 1.895 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000730280752 699506384 /nfs/dbraw/zinc/50/63/84/699506384.db2.gz ADKNJSOMWNHALZ-SFHVURJKSA-N 2 2 322.412 1.895 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730280040 699506414 /nfs/dbraw/zinc/50/64/14/699506414.db2.gz YIDOKBKYHLRONF-ULQDDVLXSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730280040 699506416 /nfs/dbraw/zinc/50/64/16/699506416.db2.gz YIDOKBKYHLRONF-ULQDDVLXSA-N 2 2 319.493 1.957 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000736683495 699730158 /nfs/dbraw/zinc/73/01/58/699730158.db2.gz PBFCKFLDYIENBA-HNNXBMFYSA-N 2 2 300.406 1.406 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000736683495 699730161 /nfs/dbraw/zinc/73/01/61/699730161.db2.gz PBFCKFLDYIENBA-HNNXBMFYSA-N 2 2 300.406 1.406 20 30 DDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000876727989 705842792 /nfs/dbraw/zinc/84/27/92/705842792.db2.gz FKHDTJNKXAXYFE-SFHVURJKSA-N 2 2 324.428 1.299 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880264159 706925816 /nfs/dbraw/zinc/92/58/16/706925816.db2.gz PBAKLGWKGQZPSF-INIZCTEOSA-N 2 2 314.433 1.793 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880264159 706925818 /nfs/dbraw/zinc/92/58/18/706925818.db2.gz PBAKLGWKGQZPSF-INIZCTEOSA-N 2 2 314.433 1.793 20 30 DDEDLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884470430 708309820 /nfs/dbraw/zinc/30/98/20/708309820.db2.gz OEWOJOPIBMTKEA-VOLNDZDFSA-N 2 2 324.428 1.429 20 30 DDEDLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884470430 708309823 /nfs/dbraw/zinc/30/98/23/708309823.db2.gz OEWOJOPIBMTKEA-VOLNDZDFSA-N 2 2 324.428 1.429 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187928 708711523 /nfs/dbraw/zinc/71/15/23/708711523.db2.gz FYKIMZMQIZOLOE-IRXDYDNUSA-N 2 2 321.465 1.618 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000886187928 708711524 /nfs/dbraw/zinc/71/15/24/708711524.db2.gz FYKIMZMQIZOLOE-IRXDYDNUSA-N 2 2 321.465 1.618 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2C[C@]23CCOC3)cc1 ZINC000902281477 710695240 /nfs/dbraw/zinc/69/52/40/710695240.db2.gz KEFJHBASNXRBII-WBVHZDCISA-N 2 2 303.406 1.812 20 30 DDEDLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000903475911 711138024 /nfs/dbraw/zinc/13/80/24/711138024.db2.gz HOSFHKWLCINGCR-HIFRSBDPSA-N 2 2 302.397 1.675 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824202 711291982 /nfs/dbraw/zinc/29/19/82/711291982.db2.gz NCZMYQFAZOTFDX-IAGOWNOFSA-N 2 2 313.401 1.453 20 30 DDEDLP N#Cc1ccc([C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCO2)cc1 ZINC000903824202 711291987 /nfs/dbraw/zinc/29/19/87/711291987.db2.gz NCZMYQFAZOTFDX-IAGOWNOFSA-N 2 2 313.401 1.453 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COCO3)CC2)cc1 ZINC000894875523 711304760 /nfs/dbraw/zinc/30/47/60/711304760.db2.gz FIGFKXCKOFCTMC-QGZVFWFLSA-N 2 2 301.390 1.485 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000895202178 711452598 /nfs/dbraw/zinc/45/25/98/711452598.db2.gz QAPIYTOHXXYYLV-KGLIPLIRSA-N 2 2 303.410 1.169 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000895202178 711452599 /nfs/dbraw/zinc/45/25/99/711452599.db2.gz QAPIYTOHXXYYLV-KGLIPLIRSA-N 2 2 303.410 1.169 20 30 DDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931514234 714116446 /nfs/dbraw/zinc/11/64/46/714116446.db2.gz MJKJQMWRZUXHTI-UHFFFAOYSA-N 2 2 321.384 1.922 20 30 DDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931514234 714116449 /nfs/dbraw/zinc/11/64/49/714116449.db2.gz MJKJQMWRZUXHTI-UHFFFAOYSA-N 2 2 321.384 1.922 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923429327 714353266 /nfs/dbraw/zinc/35/32/66/714353266.db2.gz ZNZVBOUBLQFRSY-NVXWUHKLSA-N 2 2 315.417 1.562 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901489 714692176 /nfs/dbraw/zinc/69/21/76/714692176.db2.gz JYUUEIGFRPNJHG-GJZGRUSLSA-N 2 2 308.470 1.847 20 30 DDEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901489 714692177 /nfs/dbraw/zinc/69/21/77/714692177.db2.gz JYUUEIGFRPNJHG-GJZGRUSLSA-N 2 2 308.470 1.847 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958184230 716382190 /nfs/dbraw/zinc/38/21/90/716382190.db2.gz XDYHLUSLZZDOBD-XJKSGUPXSA-N 2 2 314.389 1.162 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958184230 716382195 /nfs/dbraw/zinc/38/21/95/716382195.db2.gz XDYHLUSLZZDOBD-XJKSGUPXSA-N 2 2 314.389 1.162 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853504 716994261 /nfs/dbraw/zinc/99/42/61/716994261.db2.gz SDGOEFGAWRRYLL-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853504 716994264 /nfs/dbraw/zinc/99/42/64/716994264.db2.gz SDGOEFGAWRRYLL-HNNXBMFYSA-N 2 2 320.437 1.753 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186384 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XXOUIJMQCZNCIP-BYNSBNAKSA-N 2 2 300.406 1.385 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001032636830 752007583 /nfs/dbraw/zinc/00/75/83/752007583.db2.gz XXOUIJMQCZNCIP-BYNSBNAKSA-N 2 2 300.406 1.385 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333536 745609935 /nfs/dbraw/zinc/60/99/35/745609935.db2.gz LRQCRUGABJKGKZ-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799950 746111961 /nfs/dbraw/zinc/11/19/61/746111961.db2.gz YJTKRQCREBOHDZ-QLFBSQMISA-N 2 2 304.438 1.991 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993527034 746197768 /nfs/dbraw/zinc/19/77/68/746197768.db2.gz YKWROAVZOYDZRL-UKRRQHHQSA-N 2 2 320.437 1.895 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993527034 746197770 /nfs/dbraw/zinc/19/77/70/746197770.db2.gz YKWROAVZOYDZRL-UKRRQHHQSA-N 2 2 320.437 1.895 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001003180742 747038690 /nfs/dbraw/zinc/03/86/90/747038690.db2.gz VBIQQJJBEKALGU-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205460 747048201 /nfs/dbraw/zinc/04/82/01/747048201.db2.gz CQCDTZQPIUWTBH-AWEZNQCLSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205460 747048208 /nfs/dbraw/zinc/04/82/08/747048208.db2.gz CQCDTZQPIUWTBH-AWEZNQCLSA-N 2 2 316.449 1.980 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003651725 747350428 /nfs/dbraw/zinc/35/04/28/747350428.db2.gz GZURAXQDMGECNR-HUUCEWRRSA-N 2 2 300.406 1.128 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524861 748540911 /nfs/dbraw/zinc/54/09/11/748540911.db2.gz MIPHCYFJRDJCTK-CVEARBPZSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078207 748938221 /nfs/dbraw/zinc/93/82/21/748938221.db2.gz DCEWTGUHHKXXLL-OWCLPIDISA-N 2 2 304.438 1.922 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456133 749238271 /nfs/dbraw/zinc/23/82/71/749238271.db2.gz PBPYMMLJAOLPJV-ZSHCYNCHSA-N 2 2 316.449 1.939 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001114456133 749238278 /nfs/dbraw/zinc/23/82/78/749238278.db2.gz PBPYMMLJAOLPJV-ZSHCYNCHSA-N 2 2 316.449 1.939 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640900 750102652 /nfs/dbraw/zinc/10/26/52/750102652.db2.gz JNMHAARXBNLRBR-FSDCSDTHSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095640900 750102656 /nfs/dbraw/zinc/10/26/56/750102656.db2.gz JNMHAARXBNLRBR-FSDCSDTHSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639931 750103103 /nfs/dbraw/zinc/10/31/03/750103103.db2.gz XDXIJWIFUIGJBG-WCVJEAGWSA-N 2 2 312.417 1.190 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001095639931 750103109 /nfs/dbraw/zinc/10/31/09/750103109.db2.gz XDXIJWIFUIGJBG-WCVJEAGWSA-N 2 2 312.417 1.190 20 30 DDEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001111320964 750459093 /nfs/dbraw/zinc/45/90/93/750459093.db2.gz RNZJHWCPXWDYTR-BMFZPTHFSA-N 2 2 302.422 1.948 20 30 DDEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001111320964 750459099 /nfs/dbraw/zinc/45/90/99/750459099.db2.gz RNZJHWCPXWDYTR-BMFZPTHFSA-N 2 2 302.422 1.948 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001034673478 750656418 /nfs/dbraw/zinc/65/64/18/750656418.db2.gz AYFDFVBJFBJPNC-KKUMJFAQSA-N 2 2 300.406 1.096 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538661 751222437 /nfs/dbraw/zinc/22/24/37/751222437.db2.gz VHLWLONIXPUFJJ-IRXDYDNUSA-N 2 2 311.429 1.323 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538661 751222441 /nfs/dbraw/zinc/22/24/41/751222441.db2.gz VHLWLONIXPUFJJ-IRXDYDNUSA-N 2 2 311.429 1.323 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421047 762109532 /nfs/dbraw/zinc/10/95/32/762109532.db2.gz GIGQKDPWOBPYKS-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421047 762109538 /nfs/dbraw/zinc/10/95/38/762109538.db2.gz GIGQKDPWOBPYKS-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421047 762109543 /nfs/dbraw/zinc/10/95/43/762109543.db2.gz GIGQKDPWOBPYKS-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421047 762109550 /nfs/dbraw/zinc/10/95/50/762109550.db2.gz GIGQKDPWOBPYKS-NVXWUHKLSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001036250944 752304598 /nfs/dbraw/zinc/30/45/98/752304598.db2.gz ALQDTVNCKVWOPV-SMDDNHRTSA-N 2 2 310.829 1.542 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001036273222 752318748 /nfs/dbraw/zinc/31/87/48/752318748.db2.gz FBSNNGXVEFOVPG-GWCFXTLKSA-N 2 2 310.829 1.840 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001009707670 753317715 /nfs/dbraw/zinc/31/77/15/753317715.db2.gz LZERPAFQIYQWCH-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001009707670 753317721 /nfs/dbraw/zinc/31/77/21/753317721.db2.gz LZERPAFQIYQWCH-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C#CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006074245 753561086 /nfs/dbraw/zinc/56/10/86/753561086.db2.gz ZOAMHHYELWNDSQ-UHFFFAOYSA-N 2 2 302.422 1.563 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](CC)CC3)C2)C1=O ZINC001169250087 762314347 /nfs/dbraw/zinc/31/43/47/762314347.db2.gz NAEVPJXLFHKYRO-SFHVURJKSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](CC)CC3)C2)C1=O ZINC001169250087 762314353 /nfs/dbraw/zinc/31/43/53/762314353.db2.gz NAEVPJXLFHKYRO-SFHVURJKSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014503435 755764429 /nfs/dbraw/zinc/76/44/29/755764429.db2.gz RUXGFRBZLGKUNS-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014503435 755764435 /nfs/dbraw/zinc/76/44/35/755764435.db2.gz RUXGFRBZLGKUNS-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503435 755764438 /nfs/dbraw/zinc/76/44/38/755764438.db2.gz RUXGFRBZLGKUNS-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503435 755764443 /nfs/dbraw/zinc/76/44/43/755764443.db2.gz RUXGFRBZLGKUNS-XJKSGUPXSA-N 2 2 317.437 1.557 20 30 DDEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425005 762532632 /nfs/dbraw/zinc/53/26/32/762532632.db2.gz PGAKFHCXINICEI-WMZOPIPTSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040425005 762532633 /nfs/dbraw/zinc/53/26/33/762532633.db2.gz PGAKFHCXINICEI-WMZOPIPTSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001016822672 757381923 /nfs/dbraw/zinc/38/19/23/757381923.db2.gz HSLUOJVMZOQJFO-DZGCQCFKSA-N 2 2 314.433 1.986 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCO2 ZINC001053541159 758546306 /nfs/dbraw/zinc/54/63/06/758546306.db2.gz URCKHWKGTMIHMC-HOTGVXAUSA-N 2 2 321.465 1.349 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310455 758719452 /nfs/dbraw/zinc/71/94/52/758719452.db2.gz MJRSBKFLWUJOOP-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310455 758719456 /nfs/dbraw/zinc/71/94/56/758719456.db2.gz MJRSBKFLWUJOOP-FGTMMUONSA-N 2 2 317.477 1.805 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001040721923 762659458 /nfs/dbraw/zinc/65/94/58/762659458.db2.gz FNOXMFGACLZGAB-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040721923 762659465 /nfs/dbraw/zinc/65/94/65/762659465.db2.gz FNOXMFGACLZGAB-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085249892 759198685 /nfs/dbraw/zinc/19/86/85/759198685.db2.gz VTNGGWFNOWGMBM-RBSFLKMASA-N 2 2 300.406 1.096 20 30 DDEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054289597 759397728 /nfs/dbraw/zinc/39/77/28/759397728.db2.gz KUBSEOVNZKYWKF-UHFFFAOYSA-N 2 2 309.413 1.347 20 30 DDEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054289597 759397739 /nfs/dbraw/zinc/39/77/39/759397739.db2.gz KUBSEOVNZKYWKF-UHFFFAOYSA-N 2 2 309.413 1.347 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365417 759857037 /nfs/dbraw/zinc/85/70/37/759857037.db2.gz ADVKQYOSATYYBA-RYUDHWBXSA-N 2 2 308.813 1.773 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207736 760132993 /nfs/dbraw/zinc/13/29/93/760132993.db2.gz QUUZXPDNTKYGEB-AEFFLSMTSA-N 2 2 323.481 1.337 20 30 DDEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207736 760132996 /nfs/dbraw/zinc/13/29/96/760132996.db2.gz QUUZXPDNTKYGEB-AEFFLSMTSA-N 2 2 323.481 1.337 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994227 760676987 /nfs/dbraw/zinc/67/69/87/760676987.db2.gz GGWWINHSHSSPKW-OAHLLOKOSA-N 2 2 317.433 1.901 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994227 760676989 /nfs/dbraw/zinc/67/69/89/760676989.db2.gz GGWWINHSHSSPKW-OAHLLOKOSA-N 2 2 317.433 1.901 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000162869 761547463 /nfs/dbraw/zinc/54/74/63/761547463.db2.gz ZMMKEZSDQFWRGP-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237969 761874822 /nfs/dbraw/zinc/87/48/22/761874822.db2.gz LJROLYBJKZAIQY-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039237969 761874830 /nfs/dbraw/zinc/87/48/30/761874830.db2.gz LJROLYBJKZAIQY-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240070 761876646 /nfs/dbraw/zinc/87/66/46/761876646.db2.gz SZNUNVMZDIREPH-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039240070 761876656 /nfs/dbraw/zinc/87/66/56/761876656.db2.gz SZNUNVMZDIREPH-GJZGRUSLSA-N 2 2 300.406 1.288 20 30 DDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111499752 762789097 /nfs/dbraw/zinc/78/90/97/762789097.db2.gz XDTMVFPUSHEREO-KURKYZTESA-N 2 2 311.429 1.473 20 30 DDEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001111499752 762789102 /nfs/dbraw/zinc/78/91/02/762789102.db2.gz XDTMVFPUSHEREO-KURKYZTESA-N 2 2 311.429 1.473 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499752 762789110 /nfs/dbraw/zinc/78/91/10/762789110.db2.gz XDTMVFPUSHEREO-KURKYZTESA-N 2 2 311.429 1.473 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111499752 762789118 /nfs/dbraw/zinc/78/91/18/762789118.db2.gz XDTMVFPUSHEREO-KURKYZTESA-N 2 2 311.429 1.473 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108671396 762841439 /nfs/dbraw/zinc/84/14/39/762841439.db2.gz OEFPSWABPSGJPQ-KKUMJFAQSA-N 2 2 300.406 1.335 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041241330 762904438 /nfs/dbraw/zinc/90/44/38/762904438.db2.gz BQKNBBQNWQVAIG-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001041241330 762904443 /nfs/dbraw/zinc/90/44/43/762904443.db2.gz BQKNBBQNWQVAIG-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001001491118 762910953 /nfs/dbraw/zinc/91/09/53/762910953.db2.gz DWIDYSXVNHXWST-INIZCTEOSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001001491118 762910956 /nfs/dbraw/zinc/91/09/56/762910956.db2.gz DWIDYSXVNHXWST-INIZCTEOSA-N 2 2 323.868 1.665 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050060577 763074669 /nfs/dbraw/zinc/07/46/69/763074669.db2.gz SOLXTGMOIZTYFR-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001050060577 763074673 /nfs/dbraw/zinc/07/46/73/763074673.db2.gz SOLXTGMOIZTYFR-GOEBONIOSA-N 2 2 300.406 1.288 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102050 763136434 /nfs/dbraw/zinc/13/64/34/763136434.db2.gz IQXGETQSMCBRGC-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102050 763136444 /nfs/dbraw/zinc/13/64/44/763136444.db2.gz IQXGETQSMCBRGC-LSDHHAIUSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314716 763903984 /nfs/dbraw/zinc/90/39/84/763903984.db2.gz VMLJCHINOUHNPH-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314716 763903989 /nfs/dbraw/zinc/90/39/89/763903989.db2.gz VMLJCHINOUHNPH-ZBFHGGJFSA-N 2 2 302.422 1.462 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110051201 764336875 /nfs/dbraw/zinc/33/68/75/764336875.db2.gz SDDGJBOUAIMOIR-KBMXLJTQSA-N 2 2 300.406 1.098 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001110051201 764336883 /nfs/dbraw/zinc/33/68/83/764336883.db2.gz SDDGJBOUAIMOIR-KBMXLJTQSA-N 2 2 300.406 1.098 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132456762 768870398 /nfs/dbraw/zinc/87/03/98/768870398.db2.gz HQQYIEBOAAJUKU-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132456762 768870410 /nfs/dbraw/zinc/87/04/10/768870410.db2.gz HQQYIEBOAAJUKU-CABCVRRESA-N 2 2 304.438 1.898 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996963 770407775 /nfs/dbraw/zinc/40/77/75/770407775.db2.gz WBKDGSKHMGDQOJ-KBPBESRZSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996963 770407780 /nfs/dbraw/zinc/40/77/80/770407780.db2.gz WBKDGSKHMGDQOJ-KBPBESRZSA-N 2 2 311.857 1.804 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000798 770415357 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20 30 DDEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732503 771157308 /nfs/dbraw/zinc/15/73/08/771157308.db2.gz KEZPLMSOUCLRDH-ZIAGYGMSSA-N 2 2 303.406 1.529 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001074717387 774081999 /nfs/dbraw/zinc/08/19/99/774081999.db2.gz PAVFJUXKFUODHH-DZKIICNBSA-N 2 2 302.422 1.601 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125425 774414335 /nfs/dbraw/zinc/41/43/35/774414335.db2.gz QPMCXSMPZJHLDP-HUUCEWRRSA-N 2 2 323.400 1.198 20 30 DDEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125425 774414338 /nfs/dbraw/zinc/41/43/38/774414338.db2.gz QPMCXSMPZJHLDP-HUUCEWRRSA-N 2 2 323.400 1.198 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001098881381 774704785 /nfs/dbraw/zinc/70/47/85/774704785.db2.gz LSAUYJQFKHMUTB-CFAJVAMVSA-N 2 2 300.406 1.670 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001098881381 774704787 /nfs/dbraw/zinc/70/47/87/774704787.db2.gz LSAUYJQFKHMUTB-CFAJVAMVSA-N 2 2 300.406 1.670 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001098881381 774704793 /nfs/dbraw/zinc/70/47/93/774704793.db2.gz LSAUYJQFKHMUTB-CFAJVAMVSA-N 2 2 300.406 1.670 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001098881381 774704798 /nfs/dbraw/zinc/70/47/98/774704798.db2.gz LSAUYJQFKHMUTB-CFAJVAMVSA-N 2 2 300.406 1.670 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882031 775947645 /nfs/dbraw/zinc/94/76/45/775947645.db2.gz FNBZATAVMJNETN-GDBMZVCRSA-N 2 2 302.422 1.462 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036882031 775947651 /nfs/dbraw/zinc/94/76/51/775947651.db2.gz FNBZATAVMJNETN-GDBMZVCRSA-N 2 2 302.422 1.462 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663508 776417135 /nfs/dbraw/zinc/41/71/35/776417135.db2.gz VYBBLBYYAXTFDG-RUXDESIVSA-N 2 2 300.406 1.337 20 30 DDEDLP CC#CC[NH2+]C1CC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001100756528 776504502 /nfs/dbraw/zinc/50/45/02/776504502.db2.gz AMARKZZOJIYJER-UHFFFAOYSA-N 2 2 324.428 1.693 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486852 777170170 /nfs/dbraw/zinc/17/01/70/777170170.db2.gz CCYHGOMMZIMUPV-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486852 777170172 /nfs/dbraw/zinc/17/01/72/777170172.db2.gz CCYHGOMMZIMUPV-WBVHZDCISA-N 2 2 300.406 1.077 20 30 DDEDLP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001176871603 778281816 /nfs/dbraw/zinc/28/18/16/778281816.db2.gz VZHDGBYXRYPQRQ-UHFFFAOYSA-N 2 2 305.447 1.225 20 30 DDEDLP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001176871603 778281822 /nfs/dbraw/zinc/28/18/22/778281822.db2.gz VZHDGBYXRYPQRQ-UHFFFAOYSA-N 2 2 305.447 1.225 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177130569 778447876 /nfs/dbraw/zinc/44/78/76/778447876.db2.gz CRINJCNKMWYRAT-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177130569 778447878 /nfs/dbraw/zinc/44/78/78/778447878.db2.gz CRINJCNKMWYRAT-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202316 779303935 /nfs/dbraw/zinc/30/39/35/779303935.db2.gz FUEILEZAVCLLHP-GJZGRUSLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641915 780296873 /nfs/dbraw/zinc/29/68/73/780296873.db2.gz OOOVKNRXHXSPDO-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP COCC#CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115748691 780397067 /nfs/dbraw/zinc/39/70/67/780397067.db2.gz DJFNFFHNSNWYQU-UHFFFAOYSA-N 2 2 318.421 1.011 20 30 DDEDLP C[C@@H](CO)N(C)[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118172893 781052118 /nfs/dbraw/zinc/05/21/18/781052118.db2.gz RQWBKKZVOCQJQT-ZDUSSCGKSA-N 2 2 308.401 1.224 20 30 DDEDLP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001267284674 837743272 /nfs/dbraw/zinc/74/32/72/837743272.db2.gz PHQXWNOLABSDAZ-MRXNPFEDSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001267284674 837743280 /nfs/dbraw/zinc/74/32/80/837743280.db2.gz PHQXWNOLABSDAZ-MRXNPFEDSA-N 2 2 316.449 1.686 20 30 DDEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267809434 839014486 /nfs/dbraw/zinc/01/44/86/839014486.db2.gz LJCDBLFBSQWETP-JKSUJKDBSA-N 2 2 304.438 1.978 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267861651 839093556 /nfs/dbraw/zinc/09/35/56/839093556.db2.gz CFOSSEOOYVLYIK-GUYCJALGSA-N 2 2 302.422 1.486 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001267861651 839093558 /nfs/dbraw/zinc/09/35/58/839093558.db2.gz CFOSSEOOYVLYIK-GUYCJALGSA-N 2 2 302.422 1.486 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001269250013 841422249 /nfs/dbraw/zinc/42/22/49/841422249.db2.gz YOSHTAGEXJQDOG-JKSUJKDBSA-N 2 2 302.422 1.684 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001269250013 841422252 /nfs/dbraw/zinc/42/22/52/841422252.db2.gz YOSHTAGEXJQDOG-JKSUJKDBSA-N 2 2 302.422 1.684 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001269812386 842071100 /nfs/dbraw/zinc/07/11/00/842071100.db2.gz DVLVGVBITARMLA-GJZGRUSLSA-N 2 2 316.449 1.943 20 30 DDEDLP C=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791249 847431276 /nfs/dbraw/zinc/43/12/76/847431276.db2.gz OILZNWWMTWPNCB-WFASDCNBSA-N 2 2 305.426 1.460 20 30 DDEDLP C=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791249 847431280 /nfs/dbraw/zinc/43/12/80/847431280.db2.gz OILZNWWMTWPNCB-WFASDCNBSA-N 2 2 305.426 1.460 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372435 862004657 /nfs/dbraw/zinc/00/46/57/862004657.db2.gz HKIUTYZLGUKURH-CYBMUJFWSA-N 2 2 305.813 1.466 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)O2 ZINC001273669095 851204436 /nfs/dbraw/zinc/20/44/36/851204436.db2.gz MTJCORBYQCSSFT-JKSUJKDBSA-N 2 2 323.481 1.498 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001274577617 852411168 /nfs/dbraw/zinc/41/11/68/852411168.db2.gz BNTMZALLEDMVRN-SNAWJCMRSA-N 2 2 323.400 1.525 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072734087 857650569 /nfs/dbraw/zinc/65/05/69/857650569.db2.gz BKKGPFANPPLLNR-UHFFFAOYSA-N 2 2 310.401 1.977 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072734087 857650573 /nfs/dbraw/zinc/65/05/73/857650573.db2.gz BKKGPFANPPLLNR-UHFFFAOYSA-N 2 2 310.401 1.977 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158135 858149091 /nfs/dbraw/zinc/14/90/91/858149091.db2.gz NOTMXBXXGHDPCA-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158135 858149098 /nfs/dbraw/zinc/14/90/98/858149098.db2.gz NOTMXBXXGHDPCA-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857928 860169319 /nfs/dbraw/zinc/16/93/19/860169319.db2.gz YPAVWTPTTNNYLJ-KBPBESRZSA-N 2 2 302.422 1.935 20 30 DDEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754801 860692898 /nfs/dbraw/zinc/69/28/98/860692898.db2.gz LVCYPJOFKPZDJS-UHFFFAOYSA-N 2 2 308.376 1.516 20 30 DDEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754801 860692901 /nfs/dbraw/zinc/69/29/01/860692901.db2.gz LVCYPJOFKPZDJS-UHFFFAOYSA-N 2 2 308.376 1.516 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093408 864404823 /nfs/dbraw/zinc/40/48/23/864404823.db2.gz YZYXSUBBTDMNFI-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093408 864404829 /nfs/dbraw/zinc/40/48/29/864404829.db2.gz YZYXSUBBTDMNFI-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP N#Cc1cc(Cl)cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158262894 864526190 /nfs/dbraw/zinc/52/61/90/864526190.db2.gz WXDPTSFZOPVOIJ-ZDUSSCGKSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cc(Cl)cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158262894 864526192 /nfs/dbraw/zinc/52/61/92/864526192.db2.gz WXDPTSFZOPVOIJ-ZDUSSCGKSA-N 2 2 305.813 1.608 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523216 865909889 /nfs/dbraw/zinc/90/98/89/865909889.db2.gz JEZDHPQWIQNUSR-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001160523216 865909898 /nfs/dbraw/zinc/90/98/98/865909898.db2.gz JEZDHPQWIQNUSR-MRXNPFEDSA-N 2 2 312.417 1.217 20 30 DDEDLP C=CCOCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001333013312 866338741 /nfs/dbraw/zinc/33/87/41/866338741.db2.gz GXWMTCZAVMGRRJ-HNNXBMFYSA-N 2 2 320.437 1.302 20 30 DDEDLP C#CCC[NH2+]CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001333230372 866542832 /nfs/dbraw/zinc/54/28/32/866542832.db2.gz ADFFSOOXEATXRQ-UHFFFAOYSA-N 2 2 314.389 1.264 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)C1 ZINC001333528095 866815889 /nfs/dbraw/zinc/81/58/89/866815889.db2.gz BFYOPAOSJAFIFE-OAHLLOKOSA-N 2 2 323.400 1.403 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)C1 ZINC001333528095 866815904 /nfs/dbraw/zinc/81/59/04/866815904.db2.gz BFYOPAOSJAFIFE-OAHLLOKOSA-N 2 2 323.400 1.403 20 30 DDEDLP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001324483028 867303425 /nfs/dbraw/zinc/30/34/25/867303425.db2.gz PTLSZACECHCKPQ-HOTGVXAUSA-N 2 2 316.449 1.896 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001335456798 868311749 /nfs/dbraw/zinc/31/17/49/868311749.db2.gz HJNGWGNXSMPIKP-QZTJIDSGSA-N 2 2 302.418 1.158 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711136 869688820 /nfs/dbraw/zinc/68/88/20/869688820.db2.gz GGIRWHVLMVGEQD-UHFFFAOYSA-N 2 2 315.417 1.532 20 30 DDEDLP CN(Cc1ccc(C#N)cc1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166539528 870049369 /nfs/dbraw/zinc/04/93/69/870049369.db2.gz FVQOJVIIKBVVAG-UHFFFAOYSA-N 2 2 307.401 1.999 20 30 DDEDLP C#CCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001317005897 870111369 /nfs/dbraw/zinc/11/13/69/870111369.db2.gz NZJHETCEFCIIDZ-UHFFFAOYSA-N 2 2 302.422 1.679 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203816394 870776644 /nfs/dbraw/zinc/77/66/44/870776644.db2.gz WGQWOGJUHPSDSX-GJZGRUSLSA-N 2 2 302.422 1.866 20 30 DDEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001317457420 870873267 /nfs/dbraw/zinc/87/32/67/870873267.db2.gz SCXFVGNBYKSOKD-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001317457420 870873277 /nfs/dbraw/zinc/87/32/77/870873277.db2.gz SCXFVGNBYKSOKD-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317457420 870873291 /nfs/dbraw/zinc/87/32/91/870873291.db2.gz SCXFVGNBYKSOKD-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317457420 870873300 /nfs/dbraw/zinc/87/33/00/870873300.db2.gz SCXFVGNBYKSOKD-INIZCTEOSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853455 871593180 /nfs/dbraw/zinc/59/31/80/871593180.db2.gz LMEAMGYEQDHIKU-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317853455 871593185 /nfs/dbraw/zinc/59/31/85/871593185.db2.gz LMEAMGYEQDHIKU-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853455 871593191 /nfs/dbraw/zinc/59/31/91/871593191.db2.gz LMEAMGYEQDHIKU-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317853455 871593197 /nfs/dbraw/zinc/59/31/97/871593197.db2.gz LMEAMGYEQDHIKU-CABCVRRESA-N 2 2 302.422 1.392 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205556031 871628253 /nfs/dbraw/zinc/62/82/53/871628253.db2.gz IOHHXRHCHVWGMG-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001206792647 872590395 /nfs/dbraw/zinc/59/03/95/872590395.db2.gz LLPOHKPBYADHNK-KRWDZBQOSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001206792647 872590409 /nfs/dbraw/zinc/59/04/09/872590409.db2.gz LLPOHKPBYADHNK-KRWDZBQOSA-N 2 2 302.422 1.729 20 30 DDEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001319516318 872669861 /nfs/dbraw/zinc/66/98/61/872669861.db2.gz WUHLMFJZADJPSS-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001319516318 872669873 /nfs/dbraw/zinc/66/98/73/872669873.db2.gz WUHLMFJZADJPSS-ZBFHGGJFSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001207072680 872982984 /nfs/dbraw/zinc/98/29/84/872982984.db2.gz DMAGHGSGSBRHEG-UHFFFAOYSA-N 2 2 316.449 1.579 20 30 DDEDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC001207105875 873021418 /nfs/dbraw/zinc/02/14/18/873021418.db2.gz DFIQSFQOMRCKNG-UHFFFAOYSA-N 2 2 306.410 1.214 20 30 DDEDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC001207105875 873021438 /nfs/dbraw/zinc/02/14/38/873021438.db2.gz DFIQSFQOMRCKNG-UHFFFAOYSA-N 2 2 306.410 1.214 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435852 874139088 /nfs/dbraw/zinc/13/90/88/874139088.db2.gz OVSSRBMPADTZRX-GJZGRUSLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450383 875812103 /nfs/dbraw/zinc/81/21/03/875812103.db2.gz XKSZFYNHMHLLFR-HZPDHXFCSA-N 2 2 320.437 1.302 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450383 875812112 /nfs/dbraw/zinc/81/21/12/875812112.db2.gz XKSZFYNHMHLLFR-HZPDHXFCSA-N 2 2 320.437 1.302 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977760 876118010 /nfs/dbraw/zinc/11/80/10/876118010.db2.gz YCOJMIMQTZCPJJ-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977760 876118018 /nfs/dbraw/zinc/11/80/18/876118018.db2.gz YCOJMIMQTZCPJJ-HUUCEWRRSA-N 2 2 306.410 1.055 20 30 DDEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214671908 876433465 /nfs/dbraw/zinc/43/34/65/876433465.db2.gz BEAKXIZVSZURFK-GDBMZVCRSA-N 2 2 314.433 1.222 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344323 884436813 /nfs/dbraw/zinc/43/68/13/884436813.db2.gz PHPKWGNMHJRMOY-HZPDHXFCSA-N 2 2 302.422 1.704 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230378844 884458131 /nfs/dbraw/zinc/45/81/31/884458131.db2.gz VTXUDACVIUUMAT-INIZCTEOSA-N 2 2 302.422 1.451 20 30 DDEDLP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001374538899 913195133 /nfs/dbraw/zinc/19/51/33/913195133.db2.gz LLHWSRAUTCVYOS-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001374538899 913195145 /nfs/dbraw/zinc/19/51/45/913195145.db2.gz LLHWSRAUTCVYOS-UHFFFAOYSA-N 2 2 311.389 1.414 20 30 DDEDLP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCC)CC1 ZINC001278208710 890151541 /nfs/dbraw/zinc/15/15/41/890151541.db2.gz ZTSJYOAKMZJJLI-UHFFFAOYSA-N 2 2 316.449 2.000 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278375001 891776869 /nfs/dbraw/zinc/77/68/69/891776869.db2.gz MVUVIMDZCMRNQS-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278375001 891776873 /nfs/dbraw/zinc/77/68/73/891776873.db2.gz MVUVIMDZCMRNQS-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278375001 891776885 /nfs/dbraw/zinc/77/68/85/891776885.db2.gz MVUVIMDZCMRNQS-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278375001 891776900 /nfs/dbraw/zinc/77/69/00/891776900.db2.gz MVUVIMDZCMRNQS-AEFFLSMTSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001366311592 893120584 /nfs/dbraw/zinc/12/05/84/893120584.db2.gz ITXNGHABAQCAFQ-NSHDSACASA-N 2 2 315.215 1.276 20 30 DDEDLP CC[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001366542633 893955432 /nfs/dbraw/zinc/95/54/32/893955432.db2.gz XNLHNQIMNNLENV-MRXNPFEDSA-N 2 2 320.412 1.586 20 30 DDEDLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001366542633 893955455 /nfs/dbraw/zinc/95/54/55/893955455.db2.gz XNLHNQIMNNLENV-MRXNPFEDSA-N 2 2 320.412 1.586 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278562983 894250985 /nfs/dbraw/zinc/25/09/85/894250985.db2.gz UPKXYNZHQCGPAR-YOEHRIQHSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278562983 894250996 /nfs/dbraw/zinc/25/09/96/894250996.db2.gz UPKXYNZHQCGPAR-YOEHRIQHSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001278589926 894362143 /nfs/dbraw/zinc/36/21/43/894362143.db2.gz WUYUHQGYYRGYEG-QGZVFWFLSA-N 2 2 302.422 1.515 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528902 896484444 /nfs/dbraw/zinc/48/44/44/896484444.db2.gz ALDBERIOHCXBHD-IBGZPJMESA-N 3 2 320.525 1.762 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528902 896484450 /nfs/dbraw/zinc/48/44/50/896484450.db2.gz ALDBERIOHCXBHD-IBGZPJMESA-N 3 2 320.525 1.762 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001367631399 897287980 /nfs/dbraw/zinc/28/79/80/897287980.db2.gz DQYITEWQKVKOHL-ZIAGYGMSSA-N 2 2 324.856 1.980 20 30 DDEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001279006658 897799795 /nfs/dbraw/zinc/79/97/95/897799795.db2.gz PGTGFEVEEOVBMN-JKSUJKDBSA-N 2 2 316.449 1.777 20 30 DDEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264080899 900920531 /nfs/dbraw/zinc/92/05/31/900920531.db2.gz ZAGWUWNCYMODID-AWEZNQCLSA-N 2 2 320.437 1.159 20 30 DDEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264080899 900920538 /nfs/dbraw/zinc/92/05/38/900920538.db2.gz ZAGWUWNCYMODID-AWEZNQCLSA-N 2 2 320.437 1.159 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001264421899 901107869 /nfs/dbraw/zinc/10/78/69/901107869.db2.gz XBXGTTBBMIACIS-SHTZXODSSA-N 2 2 316.449 1.822 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265632973 902225456 /nfs/dbraw/zinc/22/54/56/902225456.db2.gz LORAMPOUIHNMAU-OAHLLOKOSA-N 2 2 304.438 1.757 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265675363 902289482 /nfs/dbraw/zinc/28/94/82/902289482.db2.gz GSOVPHOCQWHKNI-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001282942027 906298026 /nfs/dbraw/zinc/29/80/26/906298026.db2.gz ZHNMDWJRWGBYEY-LSDHHAIUSA-N 2 2 306.410 1.055 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001376323745 918232529 /nfs/dbraw/zinc/23/25/29/918232529.db2.gz BQVOKGSHYAKEKJ-KBPBESRZSA-N 2 2 324.856 1.932 20 30 DDEDLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329370087 539303876 /nfs/dbraw/zinc/30/38/76/539303876.db2.gz IOJAQOLFVLJJMO-UKRRQHHQSA-N 2 2 317.437 1.802 20 30 DDEDLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329370087 539303877 /nfs/dbraw/zinc/30/38/77/539303877.db2.gz IOJAQOLFVLJJMO-UKRRQHHQSA-N 2 2 317.437 1.802 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000075531725 353366666 /nfs/dbraw/zinc/36/66/66/353366666.db2.gz LZXXLWBRDYCBOL-HNNXBMFYSA-N 2 2 300.406 1.461 20 30 DDEDLP C[C@@H]1CCC[C@](CNC[C@@H](O)C[N@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845973 354713396 /nfs/dbraw/zinc/71/33/96/354713396.db2.gz WWCGTRMAPUMPLW-ZACQAIPSSA-N 2 2 310.486 1.293 20 30 DDEDLP C[C@@H]1CCC[C@](CNC[C@@H](O)C[N@@H+](C)CCC#N)([NH+](C)C)C1 ZINC000578845973 354713399 /nfs/dbraw/zinc/71/33/99/354713399.db2.gz WWCGTRMAPUMPLW-ZACQAIPSSA-N 2 2 310.486 1.293 20 30 DDEDLP CN(Cc1nc(C#N)cs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589518457 354998679 /nfs/dbraw/zinc/99/86/79/354998679.db2.gz OBBUQUOZQOVTFB-HNNXBMFYSA-N 2 2 319.478 1.615 20 30 DDEDLP CN(Cc1nc(C#N)cs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589518457 354998683 /nfs/dbraw/zinc/99/86/83/354998683.db2.gz OBBUQUOZQOVTFB-HNNXBMFYSA-N 2 2 319.478 1.615 20 30 DDEDLP C[NH+](C)CCOc1cnccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591767306 355381040 /nfs/dbraw/zinc/38/10/40/355381040.db2.gz HLSIKPGPBANNJZ-CQSZACIVSA-N 2 2 301.394 1.555 20 30 DDEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450583 356220746 /nfs/dbraw/zinc/22/07/46/356220746.db2.gz RSVWNRFCJLELFJ-OAHLLOKOSA-N 2 2 300.406 1.333 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@](C)(C#N)C3)C2)CC1 ZINC000595519365 356531054 /nfs/dbraw/zinc/53/10/54/356531054.db2.gz XIRRKWAGAOPWGD-WMLDXEAASA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](C)(C#N)C3)C2)CC1 ZINC000595519365 356531057 /nfs/dbraw/zinc/53/10/57/356531057.db2.gz XIRRKWAGAOPWGD-WMLDXEAASA-N 2 2 319.453 1.100 20 30 DDEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623133 357996584 /nfs/dbraw/zinc/99/65/84/357996584.db2.gz SKZGPTAUBPREBD-OAHLLOKOSA-N 2 2 309.454 1.474 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600732085 358300474 /nfs/dbraw/zinc/30/04/74/358300474.db2.gz WRUTUHMQZBPUGZ-KBMXLJTQSA-N 2 2 307.438 1.130 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600732085 358300477 /nfs/dbraw/zinc/30/04/77/358300477.db2.gz WRUTUHMQZBPUGZ-KBMXLJTQSA-N 2 2 307.438 1.130 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)n3)cn2)CC1 ZINC000602513064 359021660 /nfs/dbraw/zinc/02/16/60/359021660.db2.gz ZDQPCSHTIHDHCD-UHFFFAOYSA-N 2 2 322.416 1.390 20 30 DDEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603429589 359635618 /nfs/dbraw/zinc/63/56/18/359635618.db2.gz YPLPYGDJNNIZAR-KRWDZBQOSA-N 2 2 322.497 1.703 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329819138 223034185 /nfs/dbraw/zinc/03/41/85/223034185.db2.gz XQMNLHYYQYEXNA-DOMZBBRYSA-N 2 2 317.437 1.706 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329819138 223034188 /nfs/dbraw/zinc/03/41/88/223034188.db2.gz XQMNLHYYQYEXNA-DOMZBBRYSA-N 2 2 317.437 1.706 20 30 DDEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000611465571 360725324 /nfs/dbraw/zinc/72/53/24/360725324.db2.gz AIHJXDJZZSBQCD-LBPRGKRZSA-N 2 2 304.369 1.122 20 30 DDEDLP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCSC1 ZINC000330180759 223083372 /nfs/dbraw/zinc/08/33/72/223083372.db2.gz GFLBLQWBIOJBBQ-WFASDCNBSA-N 2 2 323.466 1.139 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330249756 223093708 /nfs/dbraw/zinc/09/37/08/223093708.db2.gz GTSJDPOJEJBACZ-OAHLLOKOSA-N 2 2 319.453 1.776 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087250 367331138 /nfs/dbraw/zinc/33/11/38/367331138.db2.gz HPWGFHFBMMWEED-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043174 204361305 /nfs/dbraw/zinc/36/13/05/204361305.db2.gz NTMYGTTUOAVRJC-RDJZCZTQSA-N 2 2 312.417 1.547 20 30 DDEDLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000265043174 204361310 /nfs/dbraw/zinc/36/13/10/204361310.db2.gz NTMYGTTUOAVRJC-RDJZCZTQSA-N 2 2 312.417 1.547 20 30 DDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N(C)Cc1ccon1 ZINC000261756392 407602741 /nfs/dbraw/zinc/60/27/41/407602741.db2.gz MMUVKJGTNIDAFZ-UHFFFAOYSA-N 2 2 302.382 1.415 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000267199483 407787264 /nfs/dbraw/zinc/78/72/64/407787264.db2.gz OHERVSCRRUTYRG-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036137 407949917 /nfs/dbraw/zinc/94/99/17/407949917.db2.gz HYYQNBBUAQMOBD-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C#N)CCC3)CC2)CC1 ZINC000134725887 407928665 /nfs/dbraw/zinc/92/86/65/407928665.db2.gz ZONAEFRLIWAXHN-UHFFFAOYSA-N 2 2 304.438 1.355 20 30 DDEDLP C#CCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000120059531 408118528 /nfs/dbraw/zinc/11/85/28/408118528.db2.gz AAKYYVNVWMFBFH-JWTNVVGKSA-N 2 2 317.477 1.949 20 30 DDEDLP C#CCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000120059531 408118531 /nfs/dbraw/zinc/11/85/31/408118531.db2.gz AAKYYVNVWMFBFH-JWTNVVGKSA-N 2 2 317.477 1.949 20 30 DDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132271 408415118 /nfs/dbraw/zinc/41/51/18/408415118.db2.gz ASYHEJKYLSLVOW-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132271 408415123 /nfs/dbraw/zinc/41/51/23/408415123.db2.gz ASYHEJKYLSLVOW-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132271 408415126 /nfs/dbraw/zinc/41/51/26/408415126.db2.gz ASYHEJKYLSLVOW-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@H]21 ZINC000247132271 408415130 /nfs/dbraw/zinc/41/51/30/408415130.db2.gz ASYHEJKYLSLVOW-JKSUJKDBSA-N 2 2 318.465 1.745 20 30 DDEDLP COc1cc(C)[nH+]c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000270206150 408487519 /nfs/dbraw/zinc/48/75/19/408487519.db2.gz CYIUZBYDJRFWFX-UHFFFAOYSA-N 2 2 318.421 1.447 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292233986 409006326 /nfs/dbraw/zinc/00/63/26/409006326.db2.gz WDSPAXBJPULHRH-KDOFPFPSSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292233986 409006327 /nfs/dbraw/zinc/00/63/27/409006327.db2.gz WDSPAXBJPULHRH-KDOFPFPSSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292233986 409006329 /nfs/dbraw/zinc/00/63/29/409006329.db2.gz WDSPAXBJPULHRH-KDOFPFPSSA-N 2 2 312.417 1.913 20 30 DDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292233986 409006331 /nfs/dbraw/zinc/00/63/31/409006331.db2.gz WDSPAXBJPULHRH-KDOFPFPSSA-N 2 2 312.417 1.913 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000295078920 409314894 /nfs/dbraw/zinc/31/48/94/409314894.db2.gz SXFRVQYVIQXOOP-HNNXBMFYSA-N 2 2 318.417 1.844 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000318255446 164030830 /nfs/dbraw/zinc/03/08/30/164030830.db2.gz AHUHQWOSFGLXBP-HOTGVXAUSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1C#N ZINC000318255446 164030832 /nfs/dbraw/zinc/03/08/32/164030832.db2.gz AHUHQWOSFGLXBP-HOTGVXAUSA-N 2 2 301.390 1.520 20 30 DDEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000332746950 410249811 /nfs/dbraw/zinc/24/98/11/410249811.db2.gz LUERZRUXYZONJW-DLBZAZTESA-N 2 2 304.438 1.213 20 30 DDEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000332746950 410249820 /nfs/dbraw/zinc/24/98/20/410249820.db2.gz LUERZRUXYZONJW-DLBZAZTESA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000332746950 410249827 /nfs/dbraw/zinc/24/98/27/410249827.db2.gz LUERZRUXYZONJW-DLBZAZTESA-N 2 2 304.438 1.213 20 30 DDEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000332746950 410249833 /nfs/dbraw/zinc/24/98/33/410249833.db2.gz LUERZRUXYZONJW-DLBZAZTESA-N 2 2 304.438 1.213 20 30 DDEDLP C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329980883 410504972 /nfs/dbraw/zinc/50/49/72/410504972.db2.gz MERRQDNGSIVICS-LBPRGKRZSA-N 2 2 308.426 1.620 20 30 DDEDLP C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329980883 410504979 /nfs/dbraw/zinc/50/49/79/410504979.db2.gz MERRQDNGSIVICS-LBPRGKRZSA-N 2 2 308.426 1.620 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160413 222220814 /nfs/dbraw/zinc/22/08/14/222220814.db2.gz HPOARNRDHJEHEH-IRXDYDNUSA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160413 222220816 /nfs/dbraw/zinc/22/08/16/222220816.db2.gz HPOARNRDHJEHEH-IRXDYDNUSA-N 2 2 305.466 1.993 20 30 DDEDLP COc1ccc([C@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C)cc1OC ZINC000264134776 222323641 /nfs/dbraw/zinc/32/36/41/222323641.db2.gz UYVOKELDKGIPRY-AWEZNQCLSA-N 2 2 322.453 1.867 20 30 DDEDLP CC[C@](C)(C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377133145 418705939 /nfs/dbraw/zinc/70/59/39/418705939.db2.gz ZNGFSAKEUBTEAN-QGZVFWFLSA-N 2 2 306.454 1.601 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377350230 418708851 /nfs/dbraw/zinc/70/88/51/418708851.db2.gz JZQQPQVYWBTWIC-AWEZNQCLSA-N 2 2 317.437 1.607 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377350230 418708854 /nfs/dbraw/zinc/70/88/54/418708854.db2.gz JZQQPQVYWBTWIC-AWEZNQCLSA-N 2 2 317.437 1.607 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000376698790 418700263 /nfs/dbraw/zinc/70/02/63/418700263.db2.gz FFDJLQZSMXOUSN-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000376698790 418700264 /nfs/dbraw/zinc/70/02/64/418700264.db2.gz FFDJLQZSMXOUSN-QGZVFWFLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376952919 418703102 /nfs/dbraw/zinc/70/31/02/418703102.db2.gz CBIPARIKYQIINY-INIZCTEOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376952919 418703104 /nfs/dbraw/zinc/70/31/04/418703104.db2.gz CBIPARIKYQIINY-INIZCTEOSA-N 2 2 305.466 1.663 20 30 DDEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000365735199 418901221 /nfs/dbraw/zinc/90/12/21/418901221.db2.gz KHMXPWSHNRGNCM-WBVHZDCISA-N 2 2 318.465 1.745 20 30 DDEDLP C=CCNC(=O)[C@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420975207 419397740 /nfs/dbraw/zinc/39/77/40/419397740.db2.gz FKSKAPIZJTZZRN-INIZCTEOSA-N 2 2 322.497 1.169 20 30 DDEDLP C=CCNC(=O)[C@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420975207 419397744 /nfs/dbraw/zinc/39/77/44/419397744.db2.gz FKSKAPIZJTZZRN-INIZCTEOSA-N 2 2 322.497 1.169 20 30 DDEDLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418717129 419947738 /nfs/dbraw/zinc/94/77/38/419947738.db2.gz GXIMLYKKPXAFEI-INIZCTEOSA-N 2 2 315.421 1.123 20 30 DDEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000442792460 420714546 /nfs/dbraw/zinc/71/45/46/420714546.db2.gz QCXNCXITNJJUIK-IRXDYDNUSA-N 3 2 313.449 1.876 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535315398 421703880 /nfs/dbraw/zinc/70/38/80/421703880.db2.gz VVCNIKVNVZPRHT-CJNGLKHVSA-N 2 2 303.410 1.264 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535315398 421703883 /nfs/dbraw/zinc/70/38/83/421703883.db2.gz VVCNIKVNVZPRHT-CJNGLKHVSA-N 2 2 303.410 1.264 20 30 DDEDLP C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571298473 421704664 /nfs/dbraw/zinc/70/46/64/421704664.db2.gz WVNFZHOBTRQJBP-OAHLLOKOSA-N 2 2 302.422 1.912 20 30 DDEDLP C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571298473 421704668 /nfs/dbraw/zinc/70/46/68/421704668.db2.gz WVNFZHOBTRQJBP-OAHLLOKOSA-N 2 2 302.422 1.912 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400515 422102740 /nfs/dbraw/zinc/10/27/40/422102740.db2.gz SWLFSIOWTJJWBX-BBRMVZONSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400515 422102743 /nfs/dbraw/zinc/10/27/43/422102743.db2.gz SWLFSIOWTJJWBX-BBRMVZONSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400515 422102748 /nfs/dbraw/zinc/10/27/48/422102748.db2.gz SWLFSIOWTJJWBX-BBRMVZONSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400515 422102753 /nfs/dbraw/zinc/10/27/53/422102753.db2.gz SWLFSIOWTJJWBX-BBRMVZONSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584061534 422250565 /nfs/dbraw/zinc/25/05/65/422250565.db2.gz NZLUWXUYVFMGSN-MRXNPFEDSA-N 2 2 317.433 1.714 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584061534 422250571 /nfs/dbraw/zinc/25/05/71/422250571.db2.gz NZLUWXUYVFMGSN-MRXNPFEDSA-N 2 2 317.433 1.714 20 30 DDEDLP C=CC[C@@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673437 424731288 /nfs/dbraw/zinc/73/12/88/424731288.db2.gz KXFYXYKIJYSEOQ-RDJZCZTQSA-N 2 2 309.454 1.158 20 30 DDEDLP C=CCn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC000655777082 424667029 /nfs/dbraw/zinc/66/70/29/424667029.db2.gz OATZYVAJDYXTKE-MRXNPFEDSA-N 2 2 305.426 1.197 20 30 DDEDLP C=CC[C@]1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]1 ZINC000662715158 424745407 /nfs/dbraw/zinc/74/54/07/424745407.db2.gz OIGWOLORSKTCGW-CYBMUJFWSA-N 2 2 316.327 1.760 20 30 DDEDLP C=CC[C@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]1 ZINC000662850685 424788993 /nfs/dbraw/zinc/78/89/93/424788993.db2.gz SPVWCZKMAXLQOC-GOSISDBHSA-N 2 2 314.433 1.996 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000342158633 288135961 /nfs/dbraw/zinc/13/59/61/288135961.db2.gz HNXIUXVKMBQNFZ-UCIFAOBLSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000342158633 288135964 /nfs/dbraw/zinc/13/59/64/288135964.db2.gz HNXIUXVKMBQNFZ-UCIFAOBLSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000342158633 288135966 /nfs/dbraw/zinc/13/59/66/288135966.db2.gz HNXIUXVKMBQNFZ-UCIFAOBLSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000342158633 288135967 /nfs/dbraw/zinc/13/59/67/288135967.db2.gz HNXIUXVKMBQNFZ-UCIFAOBLSA-N 2 2 308.466 1.985 20 30 DDEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329520750 289041088 /nfs/dbraw/zinc/04/10/88/289041088.db2.gz FNIMZMRMGNEJGH-QLFBSQMISA-N 2 2 317.437 1.671 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330184512 295385455 /nfs/dbraw/zinc/38/54/55/295385455.db2.gz IOAOYKIQNLMERY-HUUCEWRRSA-N 2 2 317.437 1.672 20 30 DDEDLP C[NH+](C)[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)C1CCCCC1 ZINC000562986416 333012871 /nfs/dbraw/zinc/01/28/71/333012871.db2.gz YEYNKSDHYLSDQJ-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP C[NH+](C)[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)C1CCCCC1 ZINC000562986416 333012872 /nfs/dbraw/zinc/01/28/72/333012872.db2.gz YEYNKSDHYLSDQJ-DLBZAZTESA-N 2 2 310.486 1.293 20 30 DDEDLP C=CCCn1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nn1 ZINC000655941370 484043535 /nfs/dbraw/zinc/04/35/35/484043535.db2.gz RQHOOZNFCAQARA-AWEZNQCLSA-N 2 2 305.426 1.042 20 30 DDEDLP C=CCCn1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nn1 ZINC000655941370 484043541 /nfs/dbraw/zinc/04/35/41/484043541.db2.gz RQHOOZNFCAQARA-AWEZNQCLSA-N 2 2 305.426 1.042 20 30 DDEDLP CCC[NH+]1CCC(CNC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000330705149 528182639 /nfs/dbraw/zinc/18/26/39/528182639.db2.gz NGBPNWOZROOOKQ-UHFFFAOYSA-N 2 2 307.442 1.888 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392409 695238334 /nfs/dbraw/zinc/23/83/34/695238334.db2.gz JPXIPFMEYRTIJZ-JZXOWHBKSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392409 695238335 /nfs/dbraw/zinc/23/83/35/695238335.db2.gz JPXIPFMEYRTIJZ-JZXOWHBKSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392409 695238337 /nfs/dbraw/zinc/23/83/37/695238337.db2.gz JPXIPFMEYRTIJZ-JZXOWHBKSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392409 695238339 /nfs/dbraw/zinc/23/83/39/695238339.db2.gz JPXIPFMEYRTIJZ-JZXOWHBKSA-N 2 2 321.465 1.206 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183281 696702807 /nfs/dbraw/zinc/70/28/07/696702807.db2.gz NXHOCWGCISCVCP-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000980183281 696702810 /nfs/dbraw/zinc/70/28/10/696702810.db2.gz NXHOCWGCISCVCP-KKUMJFAQSA-N 2 2 300.406 1.192 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980484818 696784286 /nfs/dbraw/zinc/78/42/86/696784286.db2.gz 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ZINC000982116696 697033883 /nfs/dbraw/zinc/03/38/83/697033883.db2.gz QPGYLCFDQJGCQM-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982116696 697033886 /nfs/dbraw/zinc/03/38/86/697033886.db2.gz QPGYLCFDQJGCQM-UHFFFAOYSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981490736 697110998 /nfs/dbraw/zinc/11/09/98/697110998.db2.gz NCMSBPBGQZDKFO-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981490736 697110999 /nfs/dbraw/zinc/11/09/99/697110999.db2.gz NCMSBPBGQZDKFO-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981490736 697111000 /nfs/dbraw/zinc/11/10/00/697111000.db2.gz NCMSBPBGQZDKFO-HNNXBMFYSA-N 2 2 316.449 1.933 20 30 DDEDLP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981490736 697111001 /nfs/dbraw/zinc/11/10/01/697111001.db2.gz 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30 DDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004473730 748463808 /nfs/dbraw/zinc/46/38/08/748463808.db2.gz LGRAZASLXDUIOQ-SJORKVTESA-N 2 2 318.465 1.697 20 30 DDEDLP C[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004473730 748463810 /nfs/dbraw/zinc/46/38/10/748463810.db2.gz LGRAZASLXDUIOQ-SJORKVTESA-N 2 2 318.465 1.697 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201856078 748612145 /nfs/dbraw/zinc/61/21/45/748612145.db2.gz ILUGJUDSPCNZPK-AWEZNQCLSA-N 2 2 320.437 1.471 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641872 748660213 /nfs/dbraw/zinc/66/02/13/748660213.db2.gz MEKDKPCTCGMVNV-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007724474 752295124 /nfs/dbraw/zinc/29/51/24/752295124.db2.gz VZZPNNNCAUKGCB-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007724474 752295130 /nfs/dbraw/zinc/29/51/30/752295130.db2.gz VZZPNNNCAUKGCB-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206819 748920438 /nfs/dbraw/zinc/92/04/38/748920438.db2.gz JPGKWQTYLRUDLQ-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107684 749650079 /nfs/dbraw/zinc/65/00/79/749650079.db2.gz FERXTKCPGALQJC-QGZVFWFLSA-N 2 2 320.437 1.447 20 30 DDEDLP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107684 749650081 /nfs/dbraw/zinc/65/00/81/749650081.db2.gz FERXTKCPGALQJC-QGZVFWFLSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373219 761993552 /nfs/dbraw/zinc/99/35/52/761993552.db2.gz RAFIJYDMPYAMSK-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373219 761993560 /nfs/dbraw/zinc/99/35/60/761993560.db2.gz RAFIJYDMPYAMSK-QGZVFWFLSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785795 750053486 /nfs/dbraw/zinc/05/34/86/750053486.db2.gz QJWIAWMUQRXOQW-AWEZNQCLSA-N 2 2 304.438 1.822 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460162 762050721 /nfs/dbraw/zinc/05/07/21/762050721.db2.gz BUFPYKWOROIRAZ-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001039460162 762050731 /nfs/dbraw/zinc/05/07/31/762050731.db2.gz BUFPYKWOROIRAZ-CABCVRRESA-N 2 2 302.422 1.604 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911108 750950139 /nfs/dbraw/zinc/95/01/39/750950139.db2.gz HKGLRTPDXZOVMO-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001089911108 750950145 /nfs/dbraw/zinc/95/01/45/750950145.db2.gz HKGLRTPDXZOVMO-HZMVEIRTSA-N 2 2 314.433 1.628 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008486845 752759340 /nfs/dbraw/zinc/75/93/40/752759340.db2.gz JUXUHKTXVYIQIW-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001008486845 752759341 /nfs/dbraw/zinc/75/93/41/752759341.db2.gz JUXUHKTXVYIQIW-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008740912 752897624 /nfs/dbraw/zinc/89/76/24/752897624.db2.gz WCEYVNLYRGMQND-OAHLLOKOSA-N 2 2 302.422 1.610 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008740912 752897629 /nfs/dbraw/zinc/89/76/29/752897629.db2.gz WCEYVNLYRGMQND-OAHLLOKOSA-N 2 2 302.422 1.610 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001010370095 753822663 /nfs/dbraw/zinc/82/26/63/753822663.db2.gz STONZXWOWRWJCV-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001010370095 753822670 /nfs/dbraw/zinc/82/26/70/753822670.db2.gz STONZXWOWRWJCV-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010370095 753822677 /nfs/dbraw/zinc/82/26/77/753822677.db2.gz STONZXWOWRWJCV-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010370095 753822685 /nfs/dbraw/zinc/82/26/85/753822685.db2.gz STONZXWOWRWJCV-ROUUACIJSA-N 2 2 311.429 1.323 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000876542 762290210 /nfs/dbraw/zinc/29/02/10/762290210.db2.gz IBGTVFWTDPFUPA-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001000876542 762290213 /nfs/dbraw/zinc/29/02/13/762290213.db2.gz IBGTVFWTDPFUPA-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735709 755555907 /nfs/dbraw/zinc/55/59/07/755555907.db2.gz BMKMSJQBJJGVDD-DAXOMENPSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001079735709 755555913 /nfs/dbraw/zinc/55/59/13/755555913.db2.gz BMKMSJQBJJGVDD-DAXOMENPSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001079735709 755555916 /nfs/dbraw/zinc/55/59/16/755555916.db2.gz BMKMSJQBJJGVDD-DAXOMENPSA-N 2 2 317.437 1.413 20 30 DDEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001079735709 755555920 /nfs/dbraw/zinc/55/59/20/755555920.db2.gz BMKMSJQBJJGVDD-DAXOMENPSA-N 2 2 317.437 1.413 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991499 755668220 /nfs/dbraw/zinc/66/82/20/755668220.db2.gz JXCKYSCUTNBJIN-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991499 755668223 /nfs/dbraw/zinc/66/82/23/755668223.db2.gz JXCKYSCUTNBJIN-OWCLPIDISA-N 2 2 316.449 1.848 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001080710583 756063438 /nfs/dbraw/zinc/06/34/38/756063438.db2.gz KBCDYECKCYLSPM-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001080710583 756063447 /nfs/dbraw/zinc/06/34/47/756063447.db2.gz KBCDYECKCYLSPM-CRAIPNDOSA-N 2 2 322.412 1.946 20 30 DDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001081213872 756233428 /nfs/dbraw/zinc/23/34/28/756233428.db2.gz SWLKFKIVONVWGE-ZWKOTPCHSA-N 2 2 322.412 1.180 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015714395 756489147 /nfs/dbraw/zinc/48/91/47/756489147.db2.gz YPSXTVIIEYBZRK-AWEZNQCLSA-N 2 2 318.421 1.651 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015714395 756489150 /nfs/dbraw/zinc/48/91/50/756489150.db2.gz YPSXTVIIEYBZRK-AWEZNQCLSA-N 2 2 318.421 1.651 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192132 756669772 /nfs/dbraw/zinc/66/97/72/756669772.db2.gz WIMLTTDMWGTFCT-ZIAGYGMSSA-N 2 2 306.410 1.008 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192132 756669780 /nfs/dbraw/zinc/66/97/80/756669780.db2.gz WIMLTTDMWGTFCT-ZIAGYGMSSA-N 2 2 306.410 1.008 20 30 DDEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555905 757243167 /nfs/dbraw/zinc/24/31/67/757243167.db2.gz AGSRTEQHUGQSOY-UNEWFSDZSA-N 2 2 312.417 1.117 20 30 DDEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555905 757243170 /nfs/dbraw/zinc/24/31/70/757243170.db2.gz AGSRTEQHUGQSOY-UNEWFSDZSA-N 2 2 312.417 1.117 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040469797 762546952 /nfs/dbraw/zinc/54/69/52/762546952.db2.gz DWNZRCYCUHPTTG-KRWDZBQOSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040469797 762546958 /nfs/dbraw/zinc/54/69/58/762546958.db2.gz DWNZRCYCUHPTTG-KRWDZBQOSA-N 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C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001170152 762615768 /nfs/dbraw/zinc/61/57/68/762615768.db2.gz WWYIXNNCZFSNAE-HUUCEWRRSA-N 2 2 300.406 1.458 20 30 DDEDLP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001171080 762616287 /nfs/dbraw/zinc/61/62/87/762616287.db2.gz IVBDWWVZZORTDJ-HZPDHXFCSA-N 2 2 312.417 1.295 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001171080 762616294 /nfs/dbraw/zinc/61/62/94/762616294.db2.gz IVBDWWVZZORTDJ-HZPDHXFCSA-N 2 2 312.417 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018177172 758603956 /nfs/dbraw/zinc/60/39/56/758603956.db2.gz VQWYHFCRMJWGSH-XLAORIBOSA-N 2 2 317.477 1.805 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018177172 758603963 /nfs/dbraw/zinc/60/39/63/758603963.db2.gz VQWYHFCRMJWGSH-XLAORIBOSA-N 2 2 317.477 1.805 20 30 DDEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054035268 759090267 /nfs/dbraw/zinc/09/02/67/759090267.db2.gz IJYXJPRIKQVBJB-QZTJIDSGSA-N 2 2 313.445 1.810 20 30 DDEDLP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001054035268 759090280 /nfs/dbraw/zinc/09/02/80/759090280.db2.gz IJYXJPRIKQVBJB-QZTJIDSGSA-N 2 2 313.445 1.810 20 30 DDEDLP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035268 759090282 /nfs/dbraw/zinc/09/02/82/759090282.db2.gz IJYXJPRIKQVBJB-QZTJIDSGSA-N 2 2 313.445 1.810 20 30 DDEDLP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001054035268 759090295 /nfs/dbraw/zinc/09/02/95/759090295.db2.gz IJYXJPRIKQVBJB-QZTJIDSGSA-N 2 2 313.445 1.810 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258567 767907140 /nfs/dbraw/zinc/90/71/40/767907140.db2.gz CJEGMLNBGYYXPN-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP N#Cc1cnc(Cl)cc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258567 767907143 /nfs/dbraw/zinc/90/71/43/767907143.db2.gz CJEGMLNBGYYXPN-GFCCVEGCSA-N 2 2 305.813 1.608 20 30 DDEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895076 760481995 /nfs/dbraw/zinc/48/19/95/760481995.db2.gz SOUMLJRTUNCBMO-INIZCTEOSA-N 2 2 311.389 1.600 20 30 DDEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085895076 760481996 /nfs/dbraw/zinc/48/19/96/760481996.db2.gz SOUMLJRTUNCBMO-INIZCTEOSA-N 2 2 311.389 1.600 20 30 DDEDLP N#Cc1cc(Cl)cnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375382 761097560 /nfs/dbraw/zinc/09/75/60/761097560.db2.gz CQXOFOVYSKFMLA-CQSZACIVSA-N 2 2 305.813 1.466 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038430794 761110743 /nfs/dbraw/zinc/11/07/43/761110743.db2.gz OQLTYBPMJXRAAY-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001038430794 761110745 /nfs/dbraw/zinc/11/07/45/761110745.db2.gz OQLTYBPMJXRAAY-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038430794 761110748 /nfs/dbraw/zinc/11/07/48/761110748.db2.gz OQLTYBPMJXRAAY-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001038430794 761110751 /nfs/dbraw/zinc/11/07/51/761110751.db2.gz OQLTYBPMJXRAAY-LSDHHAIUSA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302631 761882302 /nfs/dbraw/zinc/88/23/02/761882302.db2.gz ODAKKZCKFSQJSE-GOSISDBHSA-N 2 2 323.481 1.502 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302631 761882313 /nfs/dbraw/zinc/88/23/13/761882313.db2.gz ODAKKZCKFSQJSE-GOSISDBHSA-N 2 2 323.481 1.502 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108768560 762916961 /nfs/dbraw/zinc/91/69/61/762916961.db2.gz BDZZUIOJFOFFLP-LZWOXQAQSA-N 2 2 302.422 1.888 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108799689 762945753 /nfs/dbraw/zinc/94/57/53/762945753.db2.gz RPJDMOJOKHDEAJ-XHSDSOJGSA-N 2 2 316.449 1.898 20 30 DDEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834337 762974002 /nfs/dbraw/zinc/97/40/02/762974002.db2.gz KTSVMQZQGNKGAS-BBWFWOEESA-N 2 2 314.433 1.656 20 30 DDEDLP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835014 762974940 /nfs/dbraw/zinc/97/49/40/762974940.db2.gz HKVDNHMGJRUDQS-JYJNAYRXSA-N 2 2 318.421 1.055 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696929 763226935 /nfs/dbraw/zinc/22/69/35/763226935.db2.gz ZNNJMLDFCKQCSL-RKVPGOIHSA-N 2 2 312.417 1.081 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696929 763226942 /nfs/dbraw/zinc/22/69/42/763226942.db2.gz ZNNJMLDFCKQCSL-RKVPGOIHSA-N 2 2 312.417 1.081 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042155317 763719113 /nfs/dbraw/zinc/71/91/13/763719113.db2.gz CHZFXTOSDMDTAC-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042155317 763719118 /nfs/dbraw/zinc/71/91/18/763719118.db2.gz CHZFXTOSDMDTAC-LSDHHAIUSA-N 2 2 322.840 1.867 20 30 DDEDLP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684375 763917098 /nfs/dbraw/zinc/91/70/98/763917098.db2.gz KICVZLZOQWMZLY-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042333853 763930359 /nfs/dbraw/zinc/93/03/59/763930359.db2.gz QJQMJDGNXCJGPC-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042333853 763930364 /nfs/dbraw/zinc/93/03/64/763930364.db2.gz QJQMJDGNXCJGPC-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042333852 763930626 /nfs/dbraw/zinc/93/06/26/763930626.db2.gz QJQMJDGNXCJGPC-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001042333852 763930629 /nfs/dbraw/zinc/93/06/29/763930629.db2.gz QJQMJDGNXCJGPC-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001050948650 764329727 /nfs/dbraw/zinc/32/97/27/764329727.db2.gz MFFOSTJPSNFGCT-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001050948650 764329732 /nfs/dbraw/zinc/32/97/32/764329732.db2.gz MFFOSTJPSNFGCT-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001050948650 764329738 /nfs/dbraw/zinc/32/97/38/764329738.db2.gz MFFOSTJPSNFGCT-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001050948650 764329743 /nfs/dbraw/zinc/32/97/43/764329743.db2.gz MFFOSTJPSNFGCT-IRXDYDNUSA-N 2 2 323.481 1.644 20 30 DDEDLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001131639553 768232906 /nfs/dbraw/zinc/23/29/06/768232906.db2.gz ISDGWTWGDLUQML-UHFFFAOYSA-N 2 2 317.418 1.192 20 30 DDEDLP C=CCC[NH+]1CC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001043310497 764825397 /nfs/dbraw/zinc/82/53/97/764825397.db2.gz IQYKZEGCQXHWBK-UHFFFAOYSA-N 2 2 311.389 1.600 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052507106 765901383 /nfs/dbraw/zinc/90/13/83/765901383.db2.gz RVTDUPTZBVWXSA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001052507106 765901385 /nfs/dbraw/zinc/90/13/85/765901385.db2.gz RVTDUPTZBVWXSA-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001045480428 766338216 /nfs/dbraw/zinc/33/82/16/766338216.db2.gz SGXZDMDRNAQNPS-OAHLLOKOSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987510 766763589 /nfs/dbraw/zinc/76/35/89/766763589.db2.gz UINBXOOBYXRNTL-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987510 766763594 /nfs/dbraw/zinc/76/35/94/766763594.db2.gz UINBXOOBYXRNTL-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046422282 767542249 /nfs/dbraw/zinc/54/22/49/767542249.db2.gz AUKGJPGALHOYQZ-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046422282 767542258 /nfs/dbraw/zinc/54/22/58/767542258.db2.gz AUKGJPGALHOYQZ-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046425999 767546532 /nfs/dbraw/zinc/54/65/32/767546532.db2.gz LWBZSOWTZCWLGT-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001046425999 767546534 /nfs/dbraw/zinc/54/65/34/767546534.db2.gz LWBZSOWTZCWLGT-QAPCUYQASA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433537 767560198 /nfs/dbraw/zinc/56/01/98/767560198.db2.gz HAWPBAFHUWQRHG-KSSFIOAISA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046433537 767560202 /nfs/dbraw/zinc/56/02/02/767560202.db2.gz HAWPBAFHUWQRHG-KSSFIOAISA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433537 767560205 /nfs/dbraw/zinc/56/02/05/767560205.db2.gz HAWPBAFHUWQRHG-KSSFIOAISA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046433537 767560209 /nfs/dbraw/zinc/56/02/09/767560209.db2.gz HAWPBAFHUWQRHG-KSSFIOAISA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047427472 768470212 /nfs/dbraw/zinc/47/02/12/768470212.db2.gz SXFGPCCVDHJLKJ-GJZGRUSLSA-N 2 2 320.437 1.006 20 30 DDEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047427472 768470214 /nfs/dbraw/zinc/47/02/14/768470214.db2.gz SXFGPCCVDHJLKJ-GJZGRUSLSA-N 2 2 320.437 1.006 20 30 DDEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194751 769578670 /nfs/dbraw/zinc/57/86/70/769578670.db2.gz JXHXRKJXYISMFX-HUUCEWRRSA-N 2 2 320.437 1.229 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133288568 769667048 /nfs/dbraw/zinc/66/70/48/769667048.db2.gz JARNDHSFKHQNQE-JKSUJKDBSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628561 769745149 /nfs/dbraw/zinc/74/51/49/769745149.db2.gz QSYQQZTYSSLXCR-UONOGXRCSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628561 769745153 /nfs/dbraw/zinc/74/51/53/769745153.db2.gz QSYQQZTYSSLXCR-UONOGXRCSA-N 2 2 318.421 1.342 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651412 769797639 /nfs/dbraw/zinc/79/76/39/769797639.db2.gz IBFYWTAJCXPPDX-GOEBONIOSA-N 2 2 310.401 1.940 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651412 769797649 /nfs/dbraw/zinc/79/76/49/769797649.db2.gz IBFYWTAJCXPPDX-GOEBONIOSA-N 2 2 310.401 1.940 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999036 770411604 /nfs/dbraw/zinc/41/16/04/770411604.db2.gz MDQDQZUUGJFMST-KGLIPLIRSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999036 770411611 /nfs/dbraw/zinc/41/16/11/770411611.db2.gz MDQDQZUUGJFMST-KGLIPLIRSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049529800 770985868 /nfs/dbraw/zinc/98/58/68/770985868.db2.gz RZTHDVFZPGYSFF-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049529800 770985871 /nfs/dbraw/zinc/98/58/71/770985871.db2.gz RZTHDVFZPGYSFF-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049529800 770985876 /nfs/dbraw/zinc/98/58/76/770985876.db2.gz RZTHDVFZPGYSFF-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049529800 770985883 /nfs/dbraw/zinc/98/58/83/770985883.db2.gz RZTHDVFZPGYSFF-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782772 771156152 /nfs/dbraw/zinc/15/61/52/771156152.db2.gz QERYCKNPQKSUSP-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049782772 771156157 /nfs/dbraw/zinc/15/61/57/771156157.db2.gz QERYCKNPQKSUSP-HYVNUMGLSA-N 2 2 314.433 1.677 20 30 DDEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134732500 771157615 /nfs/dbraw/zinc/15/76/15/771157615.db2.gz KEZPLMSOUCLRDH-KBPBESRZSA-N 2 2 303.406 1.529 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001135755601 771686735 /nfs/dbraw/zinc/68/67/35/771686735.db2.gz QOSWPWPOFMQDDZ-UHFFFAOYSA-N 2 2 316.792 1.363 20 30 DDEDLP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091078657 772513170 /nfs/dbraw/zinc/51/31/70/772513170.db2.gz GMBYZYFEWGRANB-FIYWTHMPSA-N 2 2 308.813 1.750 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001171238999 772678059 /nfs/dbraw/zinc/67/80/59/772678059.db2.gz WMSJWXFFQILCHX-UHFFFAOYSA-N 2 2 311.389 1.130 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086815 773940380 /nfs/dbraw/zinc/94/03/80/773940380.db2.gz TYHZRVJCJUEPFZ-RKVPGOIHSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086815 773940383 /nfs/dbraw/zinc/94/03/83/773940383.db2.gz TYHZRVJCJUEPFZ-RKVPGOIHSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086815 773940390 /nfs/dbraw/zinc/94/03/90/773940390.db2.gz TYHZRVJCJUEPFZ-RKVPGOIHSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086815 773940394 /nfs/dbraw/zinc/94/03/94/773940394.db2.gz TYHZRVJCJUEPFZ-RKVPGOIHSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099020639 774776436 /nfs/dbraw/zinc/77/64/36/774776436.db2.gz XMTJYZJJEZBWDG-IYOUNJFTSA-N 2 2 314.433 1.986 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001099020639 774776431 /nfs/dbraw/zinc/77/64/31/774776431.db2.gz XMTJYZJJEZBWDG-IYOUNJFTSA-N 2 2 314.433 1.986 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541699 776287886 /nfs/dbraw/zinc/28/78/86/776287886.db2.gz WNLNMHHKRXMYDN-UHFFFAOYSA-N 2 2 322.412 1.994 20 30 DDEDLP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577353 776350856 /nfs/dbraw/zinc/35/08/56/776350856.db2.gz RCZNWYMJTQTZBH-HOTGVXAUSA-N 2 2 316.449 1.733 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176774760 778233606 /nfs/dbraw/zinc/23/36/06/778233606.db2.gz HPNYTLOZXJUUMP-WBVHZDCISA-N 2 2 316.449 1.582 20 30 DDEDLP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178864182 779203478 /nfs/dbraw/zinc/20/34/78/779203478.db2.gz DWKFUCVKKNTRCK-INIZCTEOSA-N 2 2 316.449 1.735 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115316788 780032659 /nfs/dbraw/zinc/03/26/59/780032659.db2.gz YNNANFFSZXZLSY-LTIDMASMSA-N 2 2 314.433 1.307 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115316788 780032662 /nfs/dbraw/zinc/03/26/62/780032662.db2.gz YNNANFFSZXZLSY-LTIDMASMSA-N 2 2 314.433 1.307 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296555 837772832 /nfs/dbraw/zinc/77/28/32/837772832.db2.gz PSZZIPJTEXTHDS-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296555 837772844 /nfs/dbraw/zinc/77/28/44/837772844.db2.gz PSZZIPJTEXTHDS-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996797 844279928 /nfs/dbraw/zinc/27/99/28/844279928.db2.gz RFEMXXUDEFAECZ-WBVHZDCISA-N 2 2 320.437 1.181 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001271996797 844279934 /nfs/dbraw/zinc/27/99/34/844279934.db2.gz RFEMXXUDEFAECZ-WBVHZDCISA-N 2 2 320.437 1.181 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267548464 838286049 /nfs/dbraw/zinc/28/60/49/838286049.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267548464 838286058 /nfs/dbraw/zinc/28/60/58/838286058.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267548464 838286067 /nfs/dbraw/zinc/28/60/67/838286067.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267548464 838286077 /nfs/dbraw/zinc/28/60/77/838286077.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267652889 838583332 /nfs/dbraw/zinc/58/33/32/838583332.db2.gz GNRRWIWCIDDXFH-OAHLLOKOSA-N 2 2 310.401 1.670 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267652889 838583334 /nfs/dbraw/zinc/58/33/34/838583334.db2.gz GNRRWIWCIDDXFH-OAHLLOKOSA-N 2 2 310.401 1.670 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1nocc1C ZINC001267805767 839008358 /nfs/dbraw/zinc/00/83/58/839008358.db2.gz IKVULJYGXIZBRB-HOCLYGCPSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1nocc1C ZINC001267805767 839008367 /nfs/dbraw/zinc/00/83/67/839008367.db2.gz IKVULJYGXIZBRB-HOCLYGCPSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001272041281 844411030 /nfs/dbraw/zinc/41/10/30/844411030.db2.gz PIJXIMOMCDTALG-INIZCTEOSA-N 2 2 304.438 1.884 20 30 DDEDLP C#CCC[N@H+](C)CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001272041281 844411036 /nfs/dbraw/zinc/41/10/36/844411036.db2.gz PIJXIMOMCDTALG-INIZCTEOSA-N 2 2 304.438 1.884 20 30 DDEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001268432137 840176292 /nfs/dbraw/zinc/17/62/92/840176292.db2.gz RKNWEZMXYLXYND-AWEZNQCLSA-N 2 2 311.389 1.439 20 30 DDEDLP C#CCC[NH2+]C/C=C\CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268577270 840474162 /nfs/dbraw/zinc/47/41/62/840474162.db2.gz QLVCAUGWBHQFCF-PLNGDYQASA-N 2 2 308.385 1.771 20 30 DDEDLP C=CCC[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408387 841611145 /nfs/dbraw/zinc/61/11/45/841611145.db2.gz OHTDFUHKLWZYFT-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CCC[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408387 841611150 /nfs/dbraw/zinc/61/11/50/841611150.db2.gz OHTDFUHKLWZYFT-CJNGLKHVSA-N 2 2 319.453 1.851 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001269474285 841673994 /nfs/dbraw/zinc/67/39/94/841673994.db2.gz CLTAWYVTIDWIAO-HNNXBMFYSA-N 2 2 307.438 1.054 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001269474285 841674006 /nfs/dbraw/zinc/67/40/06/841674006.db2.gz CLTAWYVTIDWIAO-HNNXBMFYSA-N 2 2 307.438 1.054 20 30 DDEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001326305455 861268467 /nfs/dbraw/zinc/26/84/67/861268467.db2.gz UVLPLUOPGIPLBW-HZPDHXFCSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001270049523 842253958 /nfs/dbraw/zinc/25/39/58/842253958.db2.gz APCPFPLFPVXYFT-MRXNPFEDSA-N 2 2 316.449 1.919 20 30 DDEDLP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001326656706 861517148 /nfs/dbraw/zinc/51/71/48/861517148.db2.gz YBBLGRNNIJEBBC-JKSUJKDBSA-N 2 2 311.470 1.356 20 30 DDEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001326656706 861517151 /nfs/dbraw/zinc/51/71/51/861517151.db2.gz YBBLGRNNIJEBBC-JKSUJKDBSA-N 2 2 311.470 1.356 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279017 848240271 /nfs/dbraw/zinc/24/02/71/848240271.db2.gz NVWYYYWDZKLECV-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279017 848240277 /nfs/dbraw/zinc/24/02/77/848240277.db2.gz NVWYYYWDZKLECV-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279017 848240285 /nfs/dbraw/zinc/24/02/85/848240285.db2.gz NVWYYYWDZKLECV-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279017 848240296 /nfs/dbraw/zinc/24/02/96/848240296.db2.gz NVWYYYWDZKLECV-HUUCEWRRSA-N 2 2 316.449 1.980 20 30 DDEDLP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001273825104 851387622 /nfs/dbraw/zinc/38/76/22/851387622.db2.gz NAOZYDGPRFXOJM-GOSISDBHSA-N 2 2 322.412 1.368 20 30 DDEDLP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001273825104 851387629 /nfs/dbraw/zinc/38/76/29/851387629.db2.gz NAOZYDGPRFXOJM-GOSISDBHSA-N 2 2 322.412 1.368 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507190 862283514 /nfs/dbraw/zinc/28/35/14/862283514.db2.gz DPVIAGFDSKLTQL-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507190 862283533 /nfs/dbraw/zinc/28/35/33/862283533.db2.gz DPVIAGFDSKLTQL-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP N#CCCCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274042156 851883495 /nfs/dbraw/zinc/88/34/95/851883495.db2.gz BZJWDHNCBABCOG-QGZVFWFLSA-N 2 2 315.421 1.501 20 30 DDEDLP N#CCCCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274042156 851883501 /nfs/dbraw/zinc/88/35/01/851883501.db2.gz BZJWDHNCBABCOG-QGZVFWFLSA-N 2 2 315.421 1.501 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285271 858737451 /nfs/dbraw/zinc/73/74/51/858737451.db2.gz QJCULNWMGWAAIE-UHFFFAOYSA-N 2 2 302.422 1.866 20 30 DDEDLP N#Cc1cccc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001153339144 863836473 /nfs/dbraw/zinc/83/64/73/863836473.db2.gz IOMQSZONQUQHFP-UHFFFAOYSA-N 2 2 311.389 1.441 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050720 864393212 /nfs/dbraw/zinc/39/32/12/864393212.db2.gz STGQEPDMMDTBOK-MRXNPFEDSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050720 864393218 /nfs/dbraw/zinc/39/32/18/864393218.db2.gz STGQEPDMMDTBOK-MRXNPFEDSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050720 864393227 /nfs/dbraw/zinc/39/32/27/864393227.db2.gz STGQEPDMMDTBOK-MRXNPFEDSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050720 864393238 /nfs/dbraw/zinc/39/32/38/864393238.db2.gz STGQEPDMMDTBOK-MRXNPFEDSA-N 2 2 302.422 1.679 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277498 864535396 /nfs/dbraw/zinc/53/53/96/864535396.db2.gz UMICRTUWHKESJI-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277498 864535405 /nfs/dbraw/zinc/53/54/05/864535405.db2.gz UMICRTUWHKESJI-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001332140292 865608106 /nfs/dbraw/zinc/60/81/06/865608106.db2.gz NRRJIGIFISMOFD-BRWVUGGUSA-N 2 2 314.433 1.513 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001160198158 865722212 /nfs/dbraw/zinc/72/22/12/865722212.db2.gz VBCVAOBNCIIPJL-GJZGRUSLSA-N 2 2 318.421 1.238 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001160198158 865722222 /nfs/dbraw/zinc/72/22/22/865722222.db2.gz VBCVAOBNCIIPJL-GJZGRUSLSA-N 2 2 318.421 1.238 20 30 DDEDLP N#CCc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(Cl)c1 ZINC001160521373 865907893 /nfs/dbraw/zinc/90/78/93/865907893.db2.gz ZUPNNFQWFOKZKZ-HNNXBMFYSA-N 2 2 305.813 1.636 20 30 DDEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001324752196 867499695 /nfs/dbraw/zinc/49/96/95/867499695.db2.gz PNZNOEWCEJZLDN-MAUKXSAKSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001162832281 867855430 /nfs/dbraw/zinc/85/54/30/867855430.db2.gz MYRAKFISRDFPQL-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001162832281 867855467 /nfs/dbraw/zinc/85/54/67/867855467.db2.gz MYRAKFISRDFPQL-UHFFFAOYSA-N 2 2 324.428 1.636 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165834733 869727642 /nfs/dbraw/zinc/72/76/42/869727642.db2.gz DFDFRCLZQMTPNU-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165837383 869730796 /nfs/dbraw/zinc/73/07/96/869730796.db2.gz UEMWCFLUYKLZGH-HNNXBMFYSA-N 2 2 314.433 1.345 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317327523 870650680 /nfs/dbraw/zinc/65/06/80/870650680.db2.gz VMPOPNMCKYYFEI-HZPDHXFCSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001341625820 871743568 /nfs/dbraw/zinc/74/35/68/871743568.db2.gz AKPXANYRZKRAHV-UHFFFAOYSA-N 2 2 320.824 1.253 20 30 DDEDLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001318173955 871793811 /nfs/dbraw/zinc/79/38/11/871793811.db2.gz XBQINIYYMWZXTA-UHFFFAOYSA-N 2 2 322.412 1.291 20 30 DDEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316763879 872005317 /nfs/dbraw/zinc/00/53/17/872005317.db2.gz VKHVDEUYKHQTHO-UHFFFAOYSA-N 2 2 314.389 1.217 20 30 DDEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001316763879 872005340 /nfs/dbraw/zinc/00/53/40/872005340.db2.gz VKHVDEUYKHQTHO-UHFFFAOYSA-N 2 2 314.389 1.217 20 30 DDEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001316874779 872188143 /nfs/dbraw/zinc/18/81/43/872188143.db2.gz DCWVNEXNDFJUFY-JKSUJKDBSA-N 2 2 316.449 1.735 20 30 DDEDLP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001318700818 872216040 /nfs/dbraw/zinc/21/60/40/872216040.db2.gz GJZIMJXHJDPIRT-KDOFPFPSSA-N 2 2 314.433 1.343 20 30 DDEDLP C=CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001206602050 872469289 /nfs/dbraw/zinc/46/92/89/872469289.db2.gz CQDHINVVASDNOO-UHFFFAOYSA-N 2 2 309.454 1.111 20 30 DDEDLP CC#CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001319385885 872604540 /nfs/dbraw/zinc/60/45/40/872604540.db2.gz DDUDBAKHAXUIAR-UHFFFAOYSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001319389272 872605536 /nfs/dbraw/zinc/60/55/36/872605536.db2.gz KAEIJRPXBUHBCG-UHFFFAOYSA-N 2 2 302.422 1.705 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872540 872677370 /nfs/dbraw/zinc/67/73/70/872677370.db2.gz JHWFBBSYDWUDHM-UHFFFAOYSA-N 2 2 302.422 1.539 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762112 873541242 /nfs/dbraw/zinc/54/12/42/873541242.db2.gz PSQUBFLNAXADLQ-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762112 873541251 /nfs/dbraw/zinc/54/12/51/873541251.db2.gz PSQUBFLNAXADLQ-BZUAXINKSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001208440004 874144188 /nfs/dbraw/zinc/14/41/88/874144188.db2.gz XFGPVNVGRPIAFA-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001208447100 874147853 /nfs/dbraw/zinc/14/78/53/874147853.db2.gz HTQGRTSJOOAOET-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH2+]C[C@H]1C#N ZINC001210122591 875235280 /nfs/dbraw/zinc/23/52/80/875235280.db2.gz RSANPQVLGQXKHU-CYBMUJFWSA-N 2 2 305.451 1.216 20 30 DDEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609504 879129134 /nfs/dbraw/zinc/12/91/34/879129134.db2.gz PLJJFNNIDXWVDJ-DOTOQJQBSA-N 2 2 317.433 1.424 20 30 DDEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001356609504 879129146 /nfs/dbraw/zinc/12/91/46/879129146.db2.gz PLJJFNNIDXWVDJ-DOTOQJQBSA-N 2 2 317.433 1.424 20 30 DDEDLP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc2cc(O)ccc2c1 ZINC001220634647 879152520 /nfs/dbraw/zinc/15/25/20/879152520.db2.gz RJGDFJZSEXPKMV-OAHLLOKOSA-N 2 2 323.356 1.070 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001223577522 881010619 /nfs/dbraw/zinc/01/06/19/881010619.db2.gz AQUJKPRCBWAPIU-UHFFFAOYSA-N 2 2 316.449 1.778 20 30 DDEDLP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001228055052 883311713 /nfs/dbraw/zinc/31/17/13/883311713.db2.gz WLWKPXBROZCQKO-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230591811 884627846 /nfs/dbraw/zinc/62/78/46/884627846.db2.gz KGDOAZPCWRVPFB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230591811 884627857 /nfs/dbraw/zinc/62/78/57/884627857.db2.gz KGDOAZPCWRVPFB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC001363884873 887469409 /nfs/dbraw/zinc/46/94/09/887469409.db2.gz JNAFRKNYTJIKRT-MRXNPFEDSA-N 2 2 312.417 1.248 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235795431 888953012 /nfs/dbraw/zinc/95/30/12/888953012.db2.gz IAOJPTAJQFHUMX-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001235795431 888952998 /nfs/dbraw/zinc/95/29/98/888952998.db2.gz IAOJPTAJQFHUMX-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]nc2CC)CC1 ZINC001237653143 889783948 /nfs/dbraw/zinc/78/39/48/889783948.db2.gz CYOOQBVTVGURKI-UHFFFAOYSA-N 2 2 317.481 1.764 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278369954 891721186 /nfs/dbraw/zinc/72/11/86/891721186.db2.gz BJPAYFQWDACUPC-BBRMVZONSA-N 2 2 310.401 1.859 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278375002 891775718 /nfs/dbraw/zinc/77/57/18/891775718.db2.gz MVUVIMDZCMRNQS-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278375002 891775725 /nfs/dbraw/zinc/77/57/25/891775725.db2.gz MVUVIMDZCMRNQS-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278375002 891775733 /nfs/dbraw/zinc/77/57/33/891775733.db2.gz MVUVIMDZCMRNQS-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278375002 891775742 /nfs/dbraw/zinc/77/57/42/891775742.db2.gz MVUVIMDZCMRNQS-FUHWJXTLSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CCOC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001252490978 895211346 /nfs/dbraw/zinc/21/13/46/895211346.db2.gz DXIUEWBSYMXSHR-RBUKOAKNSA-N 2 2 318.461 1.847 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001252553453 895275912 /nfs/dbraw/zinc/27/59/12/895275912.db2.gz XIZMIEVTAZEXEP-QGZVFWFLSA-N 2 2 320.433 1.883 20 30 DDEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001252553453 895275925 /nfs/dbraw/zinc/27/59/25/895275925.db2.gz XIZMIEVTAZEXEP-QGZVFWFLSA-N 2 2 320.433 1.883 20 30 DDEDLP C=CCC[C@@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252594921 895294567 /nfs/dbraw/zinc/29/45/67/895294567.db2.gz BQZTVZCVCCMWDW-CQSZACIVSA-N 2 2 316.409 1.056 20 30 DDEDLP C=CCC[C@@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252594921 895294582 /nfs/dbraw/zinc/29/45/82/895294582.db2.gz BQZTVZCVCCMWDW-CQSZACIVSA-N 2 2 316.409 1.056 20 30 DDEDLP C=CCC[NH+]1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278867799 896942829 /nfs/dbraw/zinc/94/28/29/896942829.db2.gz CLMNYJWOQSVQJD-CQSZACIVSA-N 2 2 320.437 1.136 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C#N)CC3)cc2F)CC1 ZINC001256433369 897438672 /nfs/dbraw/zinc/43/86/72/897438672.db2.gz AARGHKZOJKBMJG-UHFFFAOYSA-N 2 2 302.397 1.971 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389748373 897917021 /nfs/dbraw/zinc/91/70/21/897917021.db2.gz VUDDZRWGUKFZDW-CYBMUJFWSA-N 2 2 310.829 1.875 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389748373 897917027 /nfs/dbraw/zinc/91/70/27/897917027.db2.gz VUDDZRWGUKFZDW-CYBMUJFWSA-N 2 2 310.829 1.875 20 30 DDEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC001368012953 898481595 /nfs/dbraw/zinc/48/15/95/898481595.db2.gz OFXQVHYFNSRUFI-UHFFFAOYSA-N 2 2 323.400 1.583 20 30 DDEDLP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001263997958 900865273 /nfs/dbraw/zinc/86/52/73/900865273.db2.gz KXWPOVBRRAPPJJ-CABCVRRESA-N 2 2 302.422 1.203 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001265416092 901990365 /nfs/dbraw/zinc/99/03/65/901990365.db2.gz MSSVQSCKQRQDIU-HRCADAONSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001265416092 901990378 /nfs/dbraw/zinc/99/03/78/901990378.db2.gz MSSVQSCKQRQDIU-HRCADAONSA-N 2 2 302.422 1.913 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265653958 902258586 /nfs/dbraw/zinc/25/85/86/902258586.db2.gz KVEYAVNALNOFJR-CVEARBPZSA-N 2 2 302.422 1.828 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265653958 902258599 /nfs/dbraw/zinc/25/85/99/902258599.db2.gz KVEYAVNALNOFJR-CVEARBPZSA-N 2 2 302.422 1.828 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001265812910 902428027 /nfs/dbraw/zinc/42/80/27/902428027.db2.gz GWTYPTJIFYUOFK-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001265812910 902428033 /nfs/dbraw/zinc/42/80/33/902428033.db2.gz GWTYPTJIFYUOFK-DOTOQJQBSA-N 2 2 323.481 1.690 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266242869 903179386 /nfs/dbraw/zinc/17/93/86/903179386.db2.gz ISVFPVQQRAGKKY-MRXNPFEDSA-N 2 2 302.422 1.576 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266242869 903179390 /nfs/dbraw/zinc/17/93/90/903179390.db2.gz ISVFPVQQRAGKKY-MRXNPFEDSA-N 2 2 302.422 1.576 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577927 903334535 /nfs/dbraw/zinc/33/45/35/903334535.db2.gz VXGXFOWRTYYDKN-HOTGVXAUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001279577927 903334552 /nfs/dbraw/zinc/33/45/52/903334552.db2.gz VXGXFOWRTYYDKN-HOTGVXAUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001375053790 914795427 /nfs/dbraw/zinc/79/54/27/914795427.db2.gz KOXXLGBXQUAOSE-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001375053790 914795451 /nfs/dbraw/zinc/79/54/51/914795451.db2.gz KOXXLGBXQUAOSE-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001375053790 914795462 /nfs/dbraw/zinc/79/54/62/914795462.db2.gz KOXXLGBXQUAOSE-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001375053790 914795482 /nfs/dbraw/zinc/79/54/82/914795482.db2.gz KOXXLGBXQUAOSE-HZSPNIEDSA-N 2 2 301.862 1.906 20 30 DDEDLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001371857730 905867392 /nfs/dbraw/zinc/86/73/92/905867392.db2.gz BTHDFLQRYOPDCI-CYBMUJFWSA-N 2 2 311.389 1.508 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278530131 214215603 /nfs/dbraw/zinc/21/56/03/214215603.db2.gz DXGAWXXNRRAEIO-CQSZACIVSA-N 2 2 301.390 1.371 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000057155008 352801586 /nfs/dbraw/zinc/80/15/86/352801586.db2.gz GEMKUYJDQBGWEB-UHFFFAOYSA-N 2 2 323.400 1.229 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594445361 356219089 /nfs/dbraw/zinc/21/90/89/356219089.db2.gz DOIASCKIBKBJTP-AWEZNQCLSA-N 2 2 301.394 1.141 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328872 357896115 /nfs/dbraw/zinc/89/61/15/357896115.db2.gz APCOXDANWJBWCZ-HUUCEWRRSA-N 2 2 318.421 1.660 20 30 DDEDLP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328872 357896119 /nfs/dbraw/zinc/89/61/19/357896119.db2.gz APCOXDANWJBWCZ-HUUCEWRRSA-N 2 2 318.421 1.660 20 30 DDEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000602033992 358785609 /nfs/dbraw/zinc/78/56/09/358785609.db2.gz QRCDSNYIWBZGQT-CQSZACIVSA-N 2 2 300.406 1.153 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000603429275 359634957 /nfs/dbraw/zinc/63/49/57/359634957.db2.gz VYWFRAHBWQYXAI-KZNAEPCWSA-N 2 2 320.481 1.455 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330180433 223083310 /nfs/dbraw/zinc/08/33/10/223083310.db2.gz FZIGKVIHJIVAPK-PBHICJAKSA-N 2 2 319.453 1.769 20 30 DDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330180433 223083311 /nfs/dbraw/zinc/08/33/11/223083311.db2.gz FZIGKVIHJIVAPK-PBHICJAKSA-N 2 2 319.453 1.769 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086225 /nfs/dbraw/zinc/08/62/25/223086225.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086228 /nfs/dbraw/zinc/08/62/28/223086228.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086230 /nfs/dbraw/zinc/08/62/30/223086230.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086233 /nfs/dbraw/zinc/08/62/33/223086233.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086237 /nfs/dbraw/zinc/08/62/37/223086237.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330197347 223086240 /nfs/dbraw/zinc/08/62/40/223086240.db2.gz RRTSELLXTBDOKJ-DYEKYZERSA-N 2 2 303.410 1.184 20 30 DDEDLP CN1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000271850082 209265783 /nfs/dbraw/zinc/26/57/83/209265783.db2.gz INSWUFPKMJKWPV-QGZVFWFLSA-N 2 2 312.417 1.343 20 30 DDEDLP C=C(C)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158722619 197297476 /nfs/dbraw/zinc/29/74/76/197297476.db2.gz ULIYNRFSDKHBKF-UHFFFAOYSA-N 2 2 303.410 1.011 20 30 DDEDLP COc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1C#N ZINC000423129290 227368774 /nfs/dbraw/zinc/36/87/74/227368774.db2.gz WWJNSFBINDONCA-DLBZAZTESA-N 2 2 301.390 1.423 20 30 DDEDLP Cn1c[nH+]cc1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290025236 221387858 /nfs/dbraw/zinc/38/78/58/221387858.db2.gz MYFTWDLEAWEHEY-UHFFFAOYSA-N 2 2 309.417 1.652 20 30 DDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000290025236 221387862 /nfs/dbraw/zinc/38/78/62/221387862.db2.gz MYFTWDLEAWEHEY-UHFFFAOYSA-N 2 2 309.417 1.652 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866554 285395426 /nfs/dbraw/zinc/39/54/26/285395426.db2.gz OKCXIRIUJGLNOM-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866554 285395427 /nfs/dbraw/zinc/39/54/27/285395427.db2.gz OKCXIRIUJGLNOM-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866554 285395428 /nfs/dbraw/zinc/39/54/28/285395428.db2.gz OKCXIRIUJGLNOM-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1C ZINC000330866554 285395429 /nfs/dbraw/zinc/39/54/29/285395429.db2.gz OKCXIRIUJGLNOM-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664824 407201289 /nfs/dbraw/zinc/20/12/89/407201289.db2.gz PLUKWOOKHGIMRO-GOSISDBHSA-N 2 2 314.429 1.853 20 30 DDEDLP C#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664824 407201291 /nfs/dbraw/zinc/20/12/91/407201291.db2.gz PLUKWOOKHGIMRO-GOSISDBHSA-N 2 2 314.429 1.853 20 30 DDEDLP C#C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000186090528 407574930 /nfs/dbraw/zinc/57/49/30/407574930.db2.gz ZXLWXRPUPDFCGV-OAHLLOKOSA-N 2 2 306.454 1.258 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000171735545 407753859 /nfs/dbraw/zinc/75/38/59/407753859.db2.gz RRKSVHUTVWNSQS-HUUCEWRRSA-N 2 2 324.469 1.045 20 30 DDEDLP CCNC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000122053570 408249867 /nfs/dbraw/zinc/24/98/67/408249867.db2.gz GHMKOVSEKNVULT-UHFFFAOYSA-N 2 2 318.421 1.446 20 30 DDEDLP CC[NH+](CC)CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000191777628 408487843 /nfs/dbraw/zinc/48/78/43/408487843.db2.gz UFDDGFUWGICWGC-UHFFFAOYSA-N 2 2 301.438 1.807 20 30 DDEDLP C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000281321941 408881029 /nfs/dbraw/zinc/88/10/29/408881029.db2.gz RIACRTQWJPSJQI-OAHLLOKOSA-N 2 2 311.389 1.486 20 30 DDEDLP C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000281321941 408881031 /nfs/dbraw/zinc/88/10/31/408881031.db2.gz RIACRTQWJPSJQI-OAHLLOKOSA-N 2 2 311.389 1.486 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000286352055 408968983 /nfs/dbraw/zinc/96/89/83/408968983.db2.gz WNQROIWXZWIIMT-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352468290 410659756 /nfs/dbraw/zinc/65/97/56/410659756.db2.gz QMQFBLCBYXWKGG-UHFFFAOYSA-N 2 2 310.417 1.303 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(C#N)c2)CC1 ZINC000340249435 410796325 /nfs/dbraw/zinc/79/63/25/410796325.db2.gz LOGGDQRYIZHRAT-UHFFFAOYSA-N 2 2 315.421 1.706 20 30 DDEDLP CN(C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485928 418480800 /nfs/dbraw/zinc/48/08/00/418480800.db2.gz XATYKBVAKUNJLD-QGZVFWFLSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485928 418480803 /nfs/dbraw/zinc/48/08/03/418480803.db2.gz XATYKBVAKUNJLD-QGZVFWFLSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485928 418480806 /nfs/dbraw/zinc/48/08/06/418480806.db2.gz XATYKBVAKUNJLD-QGZVFWFLSA-N 2 2 318.465 1.699 20 30 DDEDLP CN(C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1(C#N)CCCCC1 ZINC000366485928 418480809 /nfs/dbraw/zinc/48/08/09/418480809.db2.gz XATYKBVAKUNJLD-QGZVFWFLSA-N 2 2 318.465 1.699 20 30 DDEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261989925 222267505 /nfs/dbraw/zinc/26/75/05/222267505.db2.gz RADZYOAZYAQLPE-LSDHHAIUSA-N 3 2 304.442 1.047 20 30 DDEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)NC[C@H]1CCCO1 ZINC000261894752 222261327 /nfs/dbraw/zinc/26/13/27/222261327.db2.gz URYLFFLGMRMXKP-CYBMUJFWSA-N 2 2 308.451 1.190 20 30 DDEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)NC[C@H]1CCCO1 ZINC000261894752 222261329 /nfs/dbraw/zinc/26/13/29/222261329.db2.gz URYLFFLGMRMXKP-CYBMUJFWSA-N 2 2 308.451 1.190 20 30 DDEDLP C[NH+]=C(NCc1ccnn1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958943 222263417 /nfs/dbraw/zinc/26/34/17/222263417.db2.gz JOEJRQHEECNBEY-DZGCQCFKSA-N 2 2 315.425 1.275 20 30 DDEDLP CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367698433 418622087 /nfs/dbraw/zinc/62/20/87/418622087.db2.gz NDYAIHXWNBSUMH-INIZCTEOSA-N 2 2 315.421 1.127 20 30 DDEDLP CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367698433 418622088 /nfs/dbraw/zinc/62/20/88/418622088.db2.gz NDYAIHXWNBSUMH-INIZCTEOSA-N 2 2 315.421 1.127 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)cs3)C2)CC1 ZINC000370316408 418742783 /nfs/dbraw/zinc/74/27/83/418742783.db2.gz NVRCEWXHQIEABU-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C#N)cs3)C2)CC1 ZINC000370316408 418742784 /nfs/dbraw/zinc/74/27/84/418742784.db2.gz NVRCEWXHQIEABU-ZDUSSCGKSA-N 2 2 318.446 1.518 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000362719521 418759015 /nfs/dbraw/zinc/75/90/15/418759015.db2.gz LFVZKSJICAVWAT-SJLPKXTDSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000362719521 418759017 /nfs/dbraw/zinc/75/90/17/418759017.db2.gz LFVZKSJICAVWAT-SJLPKXTDSA-N 2 2 300.402 1.651 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414830 418765815 /nfs/dbraw/zinc/76/58/15/418765815.db2.gz RXELLHGIYUJKEM-ZACQAIPSSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414830 418765817 /nfs/dbraw/zinc/76/58/17/418765817.db2.gz RXELLHGIYUJKEM-ZACQAIPSSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414830 418765818 /nfs/dbraw/zinc/76/58/18/418765818.db2.gz RXELLHGIYUJKEM-ZACQAIPSSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414830 418765820 /nfs/dbraw/zinc/76/58/20/418765820.db2.gz RXELLHGIYUJKEM-ZACQAIPSSA-N 2 2 303.450 1.603 20 30 DDEDLP C#CC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363809866 418770162 /nfs/dbraw/zinc/77/01/62/418770162.db2.gz BZQCUROJQTYJBC-HOCLYGCPSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363809866 418770164 /nfs/dbraw/zinc/77/01/64/418770164.db2.gz BZQCUROJQTYJBC-HOCLYGCPSA-N 2 2 306.454 1.208 20 30 DDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)C(C)C ZINC000423349289 420023147 /nfs/dbraw/zinc/02/31/47/420023147.db2.gz VKONOQXVYKHDLZ-HUUCEWRRSA-N 2 2 322.478 1.958 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000530231196 421588702 /nfs/dbraw/zinc/58/87/02/421588702.db2.gz FZBAPUNJQHDOBC-UNEWFSDZSA-N 2 2 315.417 1.513 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000530231196 421588706 /nfs/dbraw/zinc/58/87/06/421588706.db2.gz FZBAPUNJQHDOBC-UNEWFSDZSA-N 2 2 315.417 1.513 20 30 DDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)nn1 ZINC000657385413 424320483 /nfs/dbraw/zinc/32/04/83/424320483.db2.gz VWADHAGVESPPCC-UHFFFAOYSA-N 2 2 321.469 1.833 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655712728 424640778 /nfs/dbraw/zinc/64/07/78/424640778.db2.gz QVTRSONTWTZIII-GOSISDBHSA-N 3 2 307.482 1.870 20 30 DDEDLP Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C#N)c[nH+]1 ZINC000333563392 280546446 /nfs/dbraw/zinc/54/64/46/280546446.db2.gz LHBOXVSIXSJKJM-NVXWUHKLSA-N 2 2 300.406 1.984 20 30 DDEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000569375543 308141487 /nfs/dbraw/zinc/14/14/87/308141487.db2.gz WXGFNDDTYNTVTH-UHFFFAOYSA-N 2 2 324.388 1.432 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289426772 334165239 /nfs/dbraw/zinc/16/52/39/334165239.db2.gz RFSWVUKBAHDKEF-FUHWJXTLSA-N 2 2 314.433 1.784 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289426772 334165240 /nfs/dbraw/zinc/16/52/40/334165240.db2.gz RFSWVUKBAHDKEF-FUHWJXTLSA-N 2 2 314.433 1.784 20 30 DDEDLP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000113311887 336400838 /nfs/dbraw/zinc/40/08/38/336400838.db2.gz RCIQQRYYFAMDLP-UHFFFAOYSA-N 2 2 302.418 1.901 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000130918807 341054050 /nfs/dbraw/zinc/05/40/50/341054050.db2.gz WIFJQGAQYYSBMI-UHFFFAOYSA-N 2 2 302.422 1.501 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245429699 341293299 /nfs/dbraw/zinc/29/32/99/341293299.db2.gz NFSKZYLNSSRMII-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245429699 341293300 /nfs/dbraw/zinc/29/33/00/341293300.db2.gz NFSKZYLNSSRMII-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245429699 341293301 /nfs/dbraw/zinc/29/33/01/341293301.db2.gz NFSKZYLNSSRMII-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245429699 341293302 /nfs/dbraw/zinc/29/33/02/341293302.db2.gz NFSKZYLNSSRMII-HLLBOEOZSA-N 2 2 308.470 1.703 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839302 341304590 /nfs/dbraw/zinc/30/45/90/341304590.db2.gz CRJTULYKICSHQS-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549839302 341304591 /nfs/dbraw/zinc/30/45/91/341304591.db2.gz CRJTULYKICSHQS-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549839302 341304592 /nfs/dbraw/zinc/30/45/92/341304592.db2.gz CRJTULYKICSHQS-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549839302 341304593 /nfs/dbraw/zinc/30/45/93/341304593.db2.gz CRJTULYKICSHQS-GDBMZVCRSA-N 2 2 304.438 1.355 20 30 DDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000675828727 486049641 /nfs/dbraw/zinc/04/96/41/486049641.db2.gz ZTBPNEPEKSLOGJ-AWEZNQCLSA-N 2 2 312.421 1.963 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2cccc(F)c2)CC1 ZINC000490740672 526948605 /nfs/dbraw/zinc/94/86/05/526948605.db2.gz MIQLHNQLTDNTMG-UHFFFAOYSA-N 2 2 317.408 1.425 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2cccc(F)c2)CC1 ZINC000490740672 526948610 /nfs/dbraw/zinc/94/86/10/526948610.db2.gz MIQLHNQLTDNTMG-UHFFFAOYSA-N 2 2 317.408 1.425 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000490937360 526950429 /nfs/dbraw/zinc/95/04/29/526950429.db2.gz UDXXPJSBTDXBPW-QGZVFWFLSA-N 2 2 317.458 1.566 20 30 DDEDLP C=C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339549046 527403961 /nfs/dbraw/zinc/40/39/61/527403961.db2.gz QGUMKOAITCVODA-JZWPEALZSA-N 2 2 306.454 1.513 20 30 DDEDLP C=C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339549046 527403965 /nfs/dbraw/zinc/40/39/65/527403965.db2.gz QGUMKOAITCVODA-JZWPEALZSA-N 2 2 306.454 1.513 20 30 DDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501446 527847948 /nfs/dbraw/zinc/84/79/48/527847948.db2.gz HUWCPTKBTKLJSF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501446 527847951 /nfs/dbraw/zinc/84/79/51/527847951.db2.gz HUWCPTKBTKLJSF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501446 527847955 /nfs/dbraw/zinc/84/79/55/527847955.db2.gz HUWCPTKBTKLJSF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347501446 527847960 /nfs/dbraw/zinc/84/79/60/527847960.db2.gz HUWCPTKBTKLJSF-MRXNPFEDSA-N 2 2 319.453 1.306 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337681427 528616948 /nfs/dbraw/zinc/61/69/48/528616948.db2.gz NMFPCTUUFVNDKB-HNNXBMFYSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337681427 528616954 /nfs/dbraw/zinc/61/69/54/528616954.db2.gz NMFPCTUUFVNDKB-HNNXBMFYSA-N 2 2 308.470 1.799 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822034 695103101 /nfs/dbraw/zinc/10/31/01/695103101.db2.gz RQXXIEYMVRJHEK-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822034 695103104 /nfs/dbraw/zinc/10/31/04/695103104.db2.gz RQXXIEYMVRJHEK-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062975 695786523 /nfs/dbraw/zinc/78/65/23/695786523.db2.gz QGCPFOGCAQPGNC-GXTWGEPZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062975 695786525 /nfs/dbraw/zinc/78/65/25/695786525.db2.gz QGCPFOGCAQPGNC-GXTWGEPZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062975 695786526 /nfs/dbraw/zinc/78/65/26/695786526.db2.gz QGCPFOGCAQPGNC-GXTWGEPZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975062975 695786528 /nfs/dbraw/zinc/78/65/28/695786528.db2.gz QGCPFOGCAQPGNC-GXTWGEPZSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978363874 696370786 /nfs/dbraw/zinc/37/07/86/696370786.db2.gz CTMMROQZTDKXKQ-ZQDZILKHSA-N 2 2 314.433 1.303 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978363874 696370789 /nfs/dbraw/zinc/37/07/89/696370789.db2.gz CTMMROQZTDKXKQ-ZQDZILKHSA-N 2 2 314.433 1.303 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978363874 696370791 /nfs/dbraw/zinc/37/07/91/696370791.db2.gz CTMMROQZTDKXKQ-ZQDZILKHSA-N 2 2 314.433 1.303 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978363874 696370794 /nfs/dbraw/zinc/37/07/94/696370794.db2.gz CTMMROQZTDKXKQ-ZQDZILKHSA-N 2 2 314.433 1.303 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980139179 696690251 /nfs/dbraw/zinc/69/02/51/696690251.db2.gz FGMRSZMIPVPONX-ARFHVFGLSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC000980139179 696690252 /nfs/dbraw/zinc/69/02/52/696690252.db2.gz FGMRSZMIPVPONX-ARFHVFGLSA-N 2 2 322.412 1.798 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454225 696777636 /nfs/dbraw/zinc/77/76/36/696777636.db2.gz PKRCMPAPVJXYLM-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454225 696777638 /nfs/dbraw/zinc/77/76/38/696777638.db2.gz PKRCMPAPVJXYLM-SJORKVTESA-N 2 2 321.465 1.206 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271294 697052685 /nfs/dbraw/zinc/05/26/85/697052685.db2.gz SKPQOZYIIWWUBG-UHFFFAOYSA-N 2 2 319.474 1.981 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271294 697052687 /nfs/dbraw/zinc/05/26/87/697052687.db2.gz SKPQOZYIIWWUBG-UHFFFAOYSA-N 2 2 319.474 1.981 20 30 DDEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000985167735 697462493 /nfs/dbraw/zinc/46/24/93/697462493.db2.gz QYELSEOLIXGJFU-QAQDUYKDSA-N 2 2 323.400 1.439 20 30 DDEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000989639109 698704343 /nfs/dbraw/zinc/70/43/43/698704343.db2.gz SQQRAXRPRAKNTG-KGLIPLIRSA-N 2 2 311.389 1.646 20 30 DDEDLP Cc1nn(-c2cc[nH+]cc2)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000783861650 698888376 /nfs/dbraw/zinc/88/83/76/698888376.db2.gz FHLCKVDIWZEMBK-HZPDHXFCSA-N 2 2 323.404 1.770 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991443758 699325746 /nfs/dbraw/zinc/32/57/46/699325746.db2.gz CEXWGGHZTYLAJM-QGPMSJSTSA-N 2 2 312.417 1.192 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991443758 699325748 /nfs/dbraw/zinc/32/57/48/699325748.db2.gz CEXWGGHZTYLAJM-QGPMSJSTSA-N 2 2 312.417 1.192 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764624970 700979186 /nfs/dbraw/zinc/97/91/86/700979186.db2.gz UNJBZFSMXNJHIT-HOTGVXAUSA-N 2 2 323.387 1.944 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764624970 700979187 /nfs/dbraw/zinc/97/91/87/700979187.db2.gz UNJBZFSMXNJHIT-HOTGVXAUSA-N 2 2 323.387 1.944 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000868581168 702209312 /nfs/dbraw/zinc/20/93/12/702209312.db2.gz CNIOHJCFJRNTGV-UHFFFAOYSA-N 2 2 310.401 1.486 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000868581168 702209314 /nfs/dbraw/zinc/20/93/14/702209314.db2.gz CNIOHJCFJRNTGV-UHFFFAOYSA-N 2 2 310.401 1.486 20 30 DDEDLP C=C[C@H](C)ONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000845639722 703185973 /nfs/dbraw/zinc/18/59/73/703185973.db2.gz CWXUUIQSZOJAEX-ZDUSSCGKSA-N 2 2 310.442 1.350 20 30 DDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000818981023 704041791 /nfs/dbraw/zinc/04/17/91/704041791.db2.gz QODTWHDRORUBNJ-KRWDZBQOSA-N 2 2 313.405 1.168 20 30 DDEDLP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852882910 704159755 /nfs/dbraw/zinc/15/97/55/704159755.db2.gz SBLIKVOUPXMYHW-SFHVURJKSA-N 2 2 311.429 1.505 20 30 DDEDLP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852882910 704159756 /nfs/dbraw/zinc/15/97/56/704159756.db2.gz SBLIKVOUPXMYHW-SFHVURJKSA-N 2 2 311.429 1.505 20 30 DDEDLP C=C(C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303610 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738322401 /nfs/dbraw/zinc/32/24/01/738322401.db2.gz CTBSOFMJPKKDTL-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592073 751466749 /nfs/dbraw/zinc/46/67/49/751466749.db2.gz FFACRLIXPMHJQC-GJZGRUSLSA-N 2 2 303.406 1.816 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640690 739834683 /nfs/dbraw/zinc/83/46/83/739834683.db2.gz USHSKMQSMXHOIJ-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028640690 739834687 /nfs/dbraw/zinc/83/46/87/739834687.db2.gz USHSKMQSMXHOIJ-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640690 739834691 /nfs/dbraw/zinc/83/46/91/739834691.db2.gz USHSKMQSMXHOIJ-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028640690 739834697 /nfs/dbraw/zinc/83/46/97/739834697.db2.gz USHSKMQSMXHOIJ-GJZGRUSLSA-N 2 2 314.433 1.284 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628714 740682984 /nfs/dbraw/zinc/68/29/84/740682984.db2.gz IELSIPRMJUTDTH-HYVNUMGLSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001087628714 740682987 /nfs/dbraw/zinc/68/29/87/740682987.db2.gz IELSIPRMJUTDTH-HYVNUMGLSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630632 740683521 /nfs/dbraw/zinc/68/35/21/740683521.db2.gz QXWHUAGGNHDZCQ-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087630632 740683526 /nfs/dbraw/zinc/68/35/26/740683526.db2.gz QXWHUAGGNHDZCQ-HRCADAONSA-N 2 2 316.449 1.991 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037943907 751583785 /nfs/dbraw/zinc/58/37/85/751583785.db2.gz RZOBRDBZSXLBKN-QWHCGFSZSA-N 2 2 310.829 1.921 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001037988635 751629732 /nfs/dbraw/zinc/62/97/32/751629732.db2.gz AXQYHQXBHHSJKI-KBPBESRZSA-N 2 2 310.829 1.852 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998288118 751682308 /nfs/dbraw/zinc/68/23/08/751682308.db2.gz ABRZTNZRBNACQK-VXGBXAGGSA-N 2 2 316.327 1.507 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962471 742283575 /nfs/dbraw/zinc/28/35/75/742283575.db2.gz LZQOXRZNEWCBEV-HLLBOEOZSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962471 742283579 /nfs/dbraw/zinc/28/35/79/742283579.db2.gz LZQOXRZNEWCBEV-HLLBOEOZSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967708 742289664 /nfs/dbraw/zinc/28/96/64/742289664.db2.gz SNBDFRRIEWQRGO-OFQRWUPVSA-N 2 2 300.406 1.164 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967708 742289667 /nfs/dbraw/zinc/28/96/67/742289667.db2.gz SNBDFRRIEWQRGO-OFQRWUPVSA-N 2 2 300.406 1.164 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083499178 742393474 /nfs/dbraw/zinc/39/34/74/742393474.db2.gz LDIIHQYDTQQRMA-KGLIPLIRSA-N 2 2 323.462 1.161 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083499178 742393482 /nfs/dbraw/zinc/39/34/82/742393482.db2.gz LDIIHQYDTQQRMA-KGLIPLIRSA-N 2 2 323.462 1.161 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076261584 742630632 /nfs/dbraw/zinc/63/06/32/742630632.db2.gz QJPWVKGKSQMJMG-KLZNWCGWSA-N 2 2 312.417 1.080 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076261584 742630635 /nfs/dbraw/zinc/63/06/35/742630635.db2.gz QJPWVKGKSQMJMG-KLZNWCGWSA-N 2 2 312.417 1.080 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001108043412 743112431 /nfs/dbraw/zinc/11/24/31/743112431.db2.gz KGBOLFBNERKJRB-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001108043412 743112437 /nfs/dbraw/zinc/11/24/37/743112437.db2.gz KGBOLFBNERKJRB-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043412 743112442 /nfs/dbraw/zinc/11/24/42/743112442.db2.gz KGBOLFBNERKJRB-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001108043412 743112449 /nfs/dbraw/zinc/11/24/49/743112449.db2.gz KGBOLFBNERKJRB-AEFFLSMTSA-N 2 2 323.481 1.500 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183584998 743864174 /nfs/dbraw/zinc/86/41/74/743864174.db2.gz YHLQOHXMYMBPIG-NVXWUHKLSA-N 2 2 302.422 1.371 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184902158 744123336 /nfs/dbraw/zinc/12/33/36/744123336.db2.gz GVSJZEJAIMYKFR-JKSUJKDBSA-N 2 2 302.422 1.371 20 30 DDEDLP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035803490 751907769 /nfs/dbraw/zinc/90/77/69/751907769.db2.gz DXAGJEVZVQRTQN-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001186330767 744387751 /nfs/dbraw/zinc/38/77/51/744387751.db2.gz XKWNLCUYJSKOLD-OAHLLOKOSA-N 2 2 312.417 1.952 20 30 DDEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187092461 744502525 /nfs/dbraw/zinc/50/25/25/744502525.db2.gz UCKLCCUHRRZPTR-QGZVFWFLSA-N 2 2 322.412 1.205 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191020545 745407468 /nfs/dbraw/zinc/40/74/68/745407468.db2.gz XQKUDTLBRZHQDR-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191020545 745407469 /nfs/dbraw/zinc/40/74/69/745407469.db2.gz XQKUDTLBRZHQDR-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191020545 745407473 /nfs/dbraw/zinc/40/74/73/745407473.db2.gz XQKUDTLBRZHQDR-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191020545 745407476 /nfs/dbraw/zinc/40/74/76/745407476.db2.gz XQKUDTLBRZHQDR-GJZGRUSLSA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106309242 745591126 /nfs/dbraw/zinc/59/11/26/745591126.db2.gz RRQVKQQIGQNNEU-GDBMZVCRSA-N 2 2 315.417 1.340 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106309274 745591314 /nfs/dbraw/zinc/59/13/14/745591314.db2.gz TYEGSSHPQIYLNZ-GDBMZVCRSA-N 2 2 317.433 1.893 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333548 745609909 /nfs/dbraw/zinc/60/99/09/745609909.db2.gz MSNSCCKYLDTOJF-OWCLPIDISA-N 2 2 314.433 1.153 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063239 746269417 /nfs/dbraw/zinc/26/94/17/746269417.db2.gz JXCKSLMQDUERTE-HUUCEWRRSA-N 2 2 320.437 1.054 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063239 746269418 /nfs/dbraw/zinc/26/94/18/746269418.db2.gz JXCKSLMQDUERTE-HUUCEWRRSA-N 2 2 320.437 1.054 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315018 746333874 /nfs/dbraw/zinc/33/38/74/746333874.db2.gz MSLYNTDWHJWCOU-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001194315018 746333880 /nfs/dbraw/zinc/33/38/80/746333880.db2.gz MSLYNTDWHJWCOU-SJORKVTESA-N 2 2 314.433 1.240 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331356 746834083 /nfs/dbraw/zinc/83/40/83/746834083.db2.gz APCCXIUMRONXPV-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001196331356 746834090 /nfs/dbraw/zinc/83/40/90/746834090.db2.gz APCCXIUMRONXPV-INIZCTEOSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003193919 747055345 /nfs/dbraw/zinc/05/53/45/747055345.db2.gz PPJUGQGPSMIPQC-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089819329 747963516 /nfs/dbraw/zinc/96/35/16/747963516.db2.gz GLABEYZBAHLUGA-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089819329 747963521 /nfs/dbraw/zinc/96/35/21/747963521.db2.gz GLABEYZBAHLUGA-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089819329 747963524 /nfs/dbraw/zinc/96/35/24/747963524.db2.gz GLABEYZBAHLUGA-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089819329 747963529 /nfs/dbraw/zinc/96/35/29/747963529.db2.gz GLABEYZBAHLUGA-ORQFMDKSSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031917553 748203685 /nfs/dbraw/zinc/20/36/85/748203685.db2.gz AHVKXKIVFKDQTC-OAHLLOKOSA-N 2 2 313.873 1.909 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001031917553 748203690 /nfs/dbraw/zinc/20/36/90/748203690.db2.gz AHVKXKIVFKDQTC-OAHLLOKOSA-N 2 2 313.873 1.909 20 30 DDEDLP COc1nc(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)c1C#N ZINC001168736238 748445105 /nfs/dbraw/zinc/44/51/05/748445105.db2.gz CSEZCUXVAKZNKE-UHFFFAOYSA-N 2 2 302.382 1.173 20 30 DDEDLP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)[NH+](C)C ZINC001004476653 748467106 /nfs/dbraw/zinc/46/71/06/748467106.db2.gz YWRPYLFXZBNCOS-CVEARBPZSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)[NH+](C)C ZINC001004476653 748467112 /nfs/dbraw/zinc/46/71/12/748467112.db2.gz YWRPYLFXZBNCOS-CVEARBPZSA-N 2 2 306.454 1.553 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(CC#N)c([N+](=O)[O-])c2)CC1 ZINC001168737079 748489124 /nfs/dbraw/zinc/48/91/24/748489124.db2.gz OONLRXSEVDIIEP-UHFFFAOYSA-N 2 2 302.338 1.255 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727128 748585594 /nfs/dbraw/zinc/58/55/94/748585594.db2.gz STPPXWQPRXQBQS-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033205306 748915669 /nfs/dbraw/zinc/91/56/69/748915669.db2.gz FAUYHGLVYUGQIJ-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033205306 748915676 /nfs/dbraw/zinc/91/56/76/748915676.db2.gz FAUYHGLVYUGQIJ-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033219550 748969153 /nfs/dbraw/zinc/96/91/53/748969153.db2.gz IQKUHEYIAHLNTH-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033219550 748969156 /nfs/dbraw/zinc/96/91/56/748969156.db2.gz IQKUHEYIAHLNTH-CYBMUJFWSA-N 2 2 306.410 1.459 20 30 DDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1(C)C ZINC000996268446 749465874 /nfs/dbraw/zinc/46/58/74/749465874.db2.gz BZHSMEXWAYLNDO-TZMCWYRMSA-N 2 2 302.422 1.842 20 30 DDEDLP COCC#CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202694834 749502515 /nfs/dbraw/zinc/50/25/15/749502515.db2.gz SCQWCXDFTKGFQL-HNNXBMFYSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432529 749950039 /nfs/dbraw/zinc/95/00/39/749950039.db2.gz LXODPOWQWFMNMJ-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432529 749950043 /nfs/dbraw/zinc/95/00/43/749950043.db2.gz LXODPOWQWFMNMJ-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432529 749950046 /nfs/dbraw/zinc/95/00/46/749950046.db2.gz LXODPOWQWFMNMJ-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432529 749950047 /nfs/dbraw/zinc/95/00/47/749950047.db2.gz LXODPOWQWFMNMJ-NVXWUHKLSA-N 2 2 300.406 1.336 20 30 DDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033854977 749986436 /nfs/dbraw/zinc/98/64/36/749986436.db2.gz FVAYSOBSLWNMLT-HUUCEWRRSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033854977 749986441 /nfs/dbraw/zinc/98/64/41/749986441.db2.gz FVAYSOBSLWNMLT-HUUCEWRRSA-N 2 2 300.406 1.317 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001095556299 750037750 /nfs/dbraw/zinc/03/77/50/750037750.db2.gz KHYBGKXRRGAVFV-OWSLCNJRSA-N 2 2 315.461 1.606 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001095556299 750037758 /nfs/dbraw/zinc/03/77/58/750037758.db2.gz KHYBGKXRRGAVFV-OWSLCNJRSA-N 2 2 315.461 1.606 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001095556299 750037765 /nfs/dbraw/zinc/03/77/65/750037765.db2.gz KHYBGKXRRGAVFV-OWSLCNJRSA-N 2 2 315.461 1.606 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001095556299 750037773 /nfs/dbraw/zinc/03/77/73/750037773.db2.gz KHYBGKXRRGAVFV-OWSLCNJRSA-N 2 2 315.461 1.606 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033882731 750050851 /nfs/dbraw/zinc/05/08/51/750050851.db2.gz GWTMEFCBPDZDAS-MRXNPFEDSA-N 2 2 310.401 1.894 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033882731 750050856 /nfs/dbraw/zinc/05/08/56/750050856.db2.gz GWTMEFCBPDZDAS-MRXNPFEDSA-N 2 2 310.401 1.894 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483806 750489360 /nfs/dbraw/zinc/48/93/60/750489360.db2.gz GLTJHXNUVDTNHZ-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483806 750489365 /nfs/dbraw/zinc/48/93/65/750489365.db2.gz GLTJHXNUVDTNHZ-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001034679550 750684368 /nfs/dbraw/zinc/68/43/68/750684368.db2.gz WCYRKWMEMJEQTA-KKUMJFAQSA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001034679550 750684371 /nfs/dbraw/zinc/68/43/71/750684371.db2.gz WCYRKWMEMJEQTA-KKUMJFAQSA-N 2 2 314.433 1.473 20 30 DDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001034740889 750788782 /nfs/dbraw/zinc/78/87/82/750788782.db2.gz YYMGSXXUTDZRCJ-KBUPBQIOSA-N 2 2 300.406 1.174 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405097 762077192 /nfs/dbraw/zinc/07/71/92/762077192.db2.gz SRWPYTKVGFEOMU-SFHVURJKSA-N 2 2 323.481 1.646 20 30 DDEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001108405097 762077201 /nfs/dbraw/zinc/07/72/01/762077201.db2.gz SRWPYTKVGFEOMU-SFHVURJKSA-N 2 2 323.481 1.646 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369968 753820756 /nfs/dbraw/zinc/82/07/56/753820756.db2.gz QQYYGQLEJKCMNJ-SJORKVTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001010369968 753820760 /nfs/dbraw/zinc/82/07/60/753820760.db2.gz QQYYGQLEJKCMNJ-SJORKVTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010369968 753820762 /nfs/dbraw/zinc/82/07/62/753820762.db2.gz QQYYGQLEJKCMNJ-SJORKVTESA-N 2 2 312.417 1.343 20 30 DDEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010369968 753820766 /nfs/dbraw/zinc/82/07/66/753820766.db2.gz QQYYGQLEJKCMNJ-SJORKVTESA-N 2 2 312.417 1.343 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155942 762266132 /nfs/dbraw/zinc/26/61/32/762266132.db2.gz WEMVVUBONDCDQM-QDMKHBRRSA-N 2 2 305.422 1.780 20 30 DDEDLP CCOC(=O)C1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155942 762266135 /nfs/dbraw/zinc/26/61/35/762266135.db2.gz WEMVVUBONDCDQM-QDMKHBRRSA-N 2 2 305.422 1.780 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864579 762279096 /nfs/dbraw/zinc/27/90/96/762279096.db2.gz YIWYXIWKIHMMIR-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000864579 762279103 /nfs/dbraw/zinc/27/91/03/762279103.db2.gz YIWYXIWKIHMMIR-HNNXBMFYSA-N 2 2 300.406 1.380 20 30 DDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001822871 754524772 /nfs/dbraw/zinc/52/47/72/754524772.db2.gz RCMKEPXWGIMTTF-CQSZACIVSA-N 2 2 300.406 1.291 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014503999 755764753 /nfs/dbraw/zinc/76/47/53/755764753.db2.gz TXEUZIWSMHODPV-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014503999 755764756 /nfs/dbraw/zinc/76/47/56/755764756.db2.gz TXEUZIWSMHODPV-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503999 755764758 /nfs/dbraw/zinc/76/47/58/755764758.db2.gz TXEUZIWSMHODPV-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014503999 755764761 /nfs/dbraw/zinc/76/47/61/755764761.db2.gz TXEUZIWSMHODPV-CZUORRHYSA-N 2 2 317.437 1.557 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097317798 757088481 /nfs/dbraw/zinc/08/84/81/757088481.db2.gz HTNZQHYNSOJOTA-OAGGEKHMSA-N 2 2 314.433 1.671 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097317798 757088485 /nfs/dbraw/zinc/08/84/85/757088485.db2.gz HTNZQHYNSOJOTA-OAGGEKHMSA-N 2 2 314.433 1.671 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065481 757112839 /nfs/dbraw/zinc/11/28/39/757112839.db2.gz FLYRQQPACQBOQC-LSDHHAIUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065481 757112841 /nfs/dbraw/zinc/11/28/41/757112841.db2.gz FLYRQQPACQBOQC-LSDHHAIUSA-N 2 2 318.421 1.220 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373211 757118084 /nfs/dbraw/zinc/11/80/84/757118084.db2.gz MWDRQVPXCYJNMU-ABFRBSLYSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097373211 757118090 /nfs/dbraw/zinc/11/80/90/757118090.db2.gz MWDRQVPXCYJNMU-ABFRBSLYSA-N 2 2 314.433 1.743 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614459 757710497 /nfs/dbraw/zinc/71/04/97/757710497.db2.gz WZDUGSZZHNBTJL-UKRRQHHQSA-N 2 2 301.390 1.121 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614459 757710504 /nfs/dbraw/zinc/71/05/04/757710504.db2.gz WZDUGSZZHNBTJL-UKRRQHHQSA-N 2 2 301.390 1.121 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057402 758115825 /nfs/dbraw/zinc/11/58/25/758115825.db2.gz JFSSUXHKAUQTLX-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001053057402 758115831 /nfs/dbraw/zinc/11/58/31/758115831.db2.gz JFSSUXHKAUQTLX-DLBZAZTESA-N 2 2 314.433 1.467 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659149 758128190 /nfs/dbraw/zinc/12/81/90/758128190.db2.gz PIHRWVJSZIPOPB-MWDXBVQZSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659149 758128199 /nfs/dbraw/zinc/12/81/99/758128199.db2.gz PIHRWVJSZIPOPB-MWDXBVQZSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017659149 758128206 /nfs/dbraw/zinc/12/82/06/758128206.db2.gz PIHRWVJSZIPOPB-MWDXBVQZSA-N 2 2 303.450 1.865 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017659149 758128213 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20 30 DDEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053846704 758878890 /nfs/dbraw/zinc/87/88/90/758878890.db2.gz MCCALZGWCOYFIK-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053846704 758878902 /nfs/dbraw/zinc/87/89/02/758878902.db2.gz MCCALZGWCOYFIK-GJZGRUSLSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001019189698 759659725 /nfs/dbraw/zinc/65/97/25/759659725.db2.gz YXXGTBXDZPZHTQ-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001019189698 759659729 /nfs/dbraw/zinc/65/97/29/759659729.db2.gz YXXGTBXDZPZHTQ-JKSUJKDBSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822719 760309880 /nfs/dbraw/zinc/30/98/80/760309880.db2.gz PECMNVUKAOUNSE-RRFJBIMHSA-N 2 2 302.422 1.632 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 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ZINC001328255361 862829479 /nfs/dbraw/zinc/82/94/79/862829479.db2.gz HXUYXVYSGICYRH-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328255361 862829492 /nfs/dbraw/zinc/82/94/92/862829492.db2.gz HXUYXVYSGICYRH-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001328255361 862829507 /nfs/dbraw/zinc/82/95/07/862829507.db2.gz HXUYXVYSGICYRH-GJZGRUSLSA-N 2 2 320.437 1.514 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072848715 857795368 /nfs/dbraw/zinc/79/53/68/857795368.db2.gz IKBFOAIKEAIZIF-UHFFFAOYSA-N 2 2 313.401 1.190 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC001072848715 857795372 /nfs/dbraw/zinc/79/53/72/857795372.db2.gz IKBFOAIKEAIZIF-UHFFFAOYSA-N 2 2 313.401 1.190 20 30 DDEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066340 864378018 /nfs/dbraw/zinc/37/80/18/864378018.db2.gz POXMVDGFOQEFRR-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066340 864378035 /nfs/dbraw/zinc/37/80/35/864378035.db2.gz POXMVDGFOQEFRR-CABCVRRESA-N 2 2 304.438 1.848 20 30 DDEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001332546543 865922280 /nfs/dbraw/zinc/92/22/80/865922280.db2.gz HXYFCAAMAJVUDD-MRXNPFEDSA-N 2 2 314.389 1.081 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160991151 866253015 /nfs/dbraw/zinc/25/30/15/866253015.db2.gz NTMPVLQCRIISPI-UHFFFAOYSA-N 2 2 302.378 1.475 20 30 DDEDLP C=CCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784710 866988499 /nfs/dbraw/zinc/98/84/99/866988499.db2.gz IDLSERIOFULHKZ-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784710 866988523 /nfs/dbraw/zinc/98/85/23/866988523.db2.gz IDLSERIOFULHKZ-UHFFFAOYSA-N 2 2 302.422 1.975 20 30 DDEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC)CC1 ZINC001324395702 867252035 /nfs/dbraw/zinc/25/20/35/867252035.db2.gz GNXIBNDLLRDZLK-HZPDHXFCSA-N 2 2 314.433 1.849 20 30 DDEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC)CC1 ZINC001324395702 867252051 /nfs/dbraw/zinc/25/20/51/867252051.db2.gz GNXIBNDLLRDZLK-HZPDHXFCSA-N 2 2 314.433 1.849 20 30 DDEDLP N#Cc1ccc2c(c1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001164484882 869226446 /nfs/dbraw/zinc/22/64/46/869226446.db2.gz NXVWGKRIOLSGJF-UHFFFAOYSA-N 2 2 319.412 1.926 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322727 869952185 /nfs/dbraw/zinc/95/21/85/869952185.db2.gz QPYXQAXHZIAYIR-UHFFFAOYSA-N 2 2 302.422 1.252 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203668062 870702290 /nfs/dbraw/zinc/70/22/90/870702290.db2.gz HOBSRVCIVAUSKH-HZPDHXFCSA-N 2 2 316.449 1.946 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738984 871311864 /nfs/dbraw/zinc/31/18/64/871311864.db2.gz XVYNYSOJZYYSNF-VNQPRFMTSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001316738984 871311876 /nfs/dbraw/zinc/31/18/76/871311876.db2.gz XVYNYSOJZYYSNF-VNQPRFMTSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738984 871311896 /nfs/dbraw/zinc/31/18/96/871311896.db2.gz XVYNYSOJZYYSNF-VNQPRFMTSA-N 2 2 302.422 1.581 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1CC ZINC001316738984 871311917 /nfs/dbraw/zinc/31/19/17/871311917.db2.gz XVYNYSOJZYYSNF-VNQPRFMTSA-N 2 2 302.422 1.581 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787112 871501970 /nfs/dbraw/zinc/50/19/70/871501970.db2.gz CBALMHCZLIKHAK-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317787112 871501985 /nfs/dbraw/zinc/50/19/85/871501985.db2.gz CBALMHCZLIKHAK-HOTGVXAUSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206762768 872555509 /nfs/dbraw/zinc/55/55/09/872555509.db2.gz VADNPQYWABSORS-UHFFFAOYSA-N 2 2 322.412 1.947 20 30 DDEDLP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319620937 872722628 /nfs/dbraw/zinc/72/26/28/872722628.db2.gz QOKDJLDCVDNMGE-HUUCEWRRSA-N 2 2 304.438 1.752 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894388 876497753 /nfs/dbraw/zinc/49/77/53/876497753.db2.gz KPPCDSQFTVLBJI-IXYNUQLISA-N 2 2 318.421 1.152 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894388 876497759 /nfs/dbraw/zinc/49/77/59/876497759.db2.gz KPPCDSQFTVLBJI-IXYNUQLISA-N 2 2 318.421 1.152 20 30 DDEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214949899 876518338 /nfs/dbraw/zinc/51/83/38/876518338.db2.gz FCBZIAVLBKPEAE-UKRRQHHQSA-N 2 2 301.390 1.093 20 30 DDEDLP C#CCCC[C@H]([NH3+])c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217757471 877314073 /nfs/dbraw/zinc/31/40/73/877314073.db2.gz MODWNDYBNDSWGR-MJBXVCDLSA-N 2 2 306.410 1.525 20 30 DDEDLP C#CCCC[C@H]([NH3+])c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217757471 877314087 /nfs/dbraw/zinc/31/40/87/877314087.db2.gz MODWNDYBNDSWGR-MJBXVCDLSA-N 2 2 306.410 1.525 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(C#N)ccc(F)c1F ZINC001219314778 878112746 /nfs/dbraw/zinc/11/27/46/878112746.db2.gz NIYYALTWYZRCHE-NSHDSACASA-N 2 2 305.288 1.078 20 30 DDEDLP C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001276875407 880882384 /nfs/dbraw/zinc/88/23/84/880882384.db2.gz MVTKBMQWHRUPPW-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001276875407 880882402 /nfs/dbraw/zinc/88/24/02/880882402.db2.gz MVTKBMQWHRUPPW-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(C#N)CC3)CC2)CC1 ZINC001363393495 886210230 /nfs/dbraw/zinc/21/02/30/886210230.db2.gz QUGONYYMJJBFTP-UHFFFAOYSA-N 2 2 318.465 1.699 20 30 DDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(C#N)CC3)CC2)CC1 ZINC001363393495 886210246 /nfs/dbraw/zinc/21/02/46/886210246.db2.gz QUGONYYMJJBFTP-UHFFFAOYSA-N 2 2 318.465 1.699 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(N)n2)CC1 ZINC001233372875 886956382 /nfs/dbraw/zinc/95/63/82/886956382.db2.gz JFZCBTVAIYBOEQ-UHFFFAOYSA-N 2 2 315.465 1.455 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234214333 887752793 /nfs/dbraw/zinc/75/27/93/887752793.db2.gz AEIKRIQJDXGPJT-DLBZAZTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234214333 887752810 /nfs/dbraw/zinc/75/28/10/887752810.db2.gz AEIKRIQJDXGPJT-DLBZAZTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234214333 887752826 /nfs/dbraw/zinc/75/28/26/887752826.db2.gz AEIKRIQJDXGPJT-DLBZAZTESA-N 2 2 321.465 1.042 20 30 DDEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234214333 887752841 /nfs/dbraw/zinc/75/28/41/887752841.db2.gz AEIKRIQJDXGPJT-DLBZAZTESA-N 2 2 321.465 1.042 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323492 890586543 /nfs/dbraw/zinc/58/65/43/890586543.db2.gz FBWWPGWLTCSEOA-ZWKOTPCHSA-N 2 2 317.433 1.634 20 30 DDEDLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001365323492 890586556 /nfs/dbraw/zinc/58/65/56/890586556.db2.gz FBWWPGWLTCSEOA-ZWKOTPCHSA-N 2 2 317.433 1.634 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278519508 894048909 /nfs/dbraw/zinc/04/89/09/894048909.db2.gz RJCMSGIHFABIRN-PBHICJAKSA-N 2 2 302.422 1.460 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001278756472 896214532 /nfs/dbraw/zinc/21/45/32/896214532.db2.gz PWWHLMULVMDVBH-HNNXBMFYSA-N 2 2 316.405 1.241 20 30 DDEDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254660663 896552506 /nfs/dbraw/zinc/55/25/06/896552506.db2.gz ZELMEULULGFEDW-GJZGRUSLSA-N 2 2 304.438 1.355 20 30 DDEDLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254660663 896552515 /nfs/dbraw/zinc/55/25/15/896552515.db2.gz ZELMEULULGFEDW-GJZGRUSLSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254664578 896564115 /nfs/dbraw/zinc/56/41/15/896564115.db2.gz ITHNFEDNPRIWKI-HIFRSBDPSA-N 2 2 315.421 1.203 20 30 DDEDLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254664578 896564126 /nfs/dbraw/zinc/56/41/26/896564126.db2.gz ITHNFEDNPRIWKI-HIFRSBDPSA-N 2 2 315.421 1.203 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665692 896564628 /nfs/dbraw/zinc/56/46/28/896564628.db2.gz PFWMALICZRYUOS-DZOHQFGASA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665692 896564641 /nfs/dbraw/zinc/56/46/41/896564641.db2.gz PFWMALICZRYUOS-DZOHQFGASA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665692 896564651 /nfs/dbraw/zinc/56/46/51/896564651.db2.gz PFWMALICZRYUOS-DZOHQFGASA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CC[C@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665692 896564664 /nfs/dbraw/zinc/56/46/64/896564664.db2.gz PFWMALICZRYUOS-DZOHQFGASA-N 2 2 313.449 1.866 20 30 DDEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001367976595 898371797 /nfs/dbraw/zinc/37/17/97/898371797.db2.gz KKQHJSYBOREYSM-QGZVFWFLSA-N 2 2 312.417 1.345 20 30 DDEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001367976595 898371806 /nfs/dbraw/zinc/37/18/06/898371806.db2.gz KKQHJSYBOREYSM-QGZVFWFLSA-N 2 2 312.417 1.345 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265593405 902175252 /nfs/dbraw/zinc/17/52/52/902175252.db2.gz WDZRFDARSVBSQV-HOTGVXAUSA-N 2 2 302.422 1.686 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265593405 902175265 /nfs/dbraw/zinc/17/52/65/902175265.db2.gz WDZRFDARSVBSQV-HOTGVXAUSA-N 2 2 302.422 1.686 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265608643 902197107 /nfs/dbraw/zinc/19/71/07/902197107.db2.gz ADJVWRUMTGVPKD-HNNXBMFYSA-N 2 2 310.401 1.718 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001280594916 903819963 /nfs/dbraw/zinc/81/99/63/903819963.db2.gz IDIARPIRMSHQEE-CQSZACIVSA-N 2 2 314.389 1.570 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284055769 908404856 /nfs/dbraw/zinc/40/48/56/908404856.db2.gz CAVXDCAGXMKWFR-RHSMWYFYSA-N 2 2 300.406 1.099 20 30 DDEDLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001375375102 915753252 /nfs/dbraw/zinc/75/32/52/915753252.db2.gz LRVIHVKURKWVKL-KRWDZBQOSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001375375102 915753264 /nfs/dbraw/zinc/75/32/64/915753264.db2.gz LRVIHVKURKWVKL-KRWDZBQOSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001375375102 915753274 /nfs/dbraw/zinc/75/32/74/915753274.db2.gz LRVIHVKURKWVKL-KRWDZBQOSA-N 2 2 314.433 1.589 20 30 DDEDLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001375375102 915753285 /nfs/dbraw/zinc/75/32/85/915753285.db2.gz LRVIHVKURKWVKL-KRWDZBQOSA-N 2 2 314.433 1.589 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001376361294 918322435 /nfs/dbraw/zinc/32/24/35/918322435.db2.gz KEXSANAYPRBEAQ-OCCSQVGLSA-N 2 2 324.856 1.789 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069576366 353168576 /nfs/dbraw/zinc/16/85/76/353168576.db2.gz YSTCYVABYDQSSF-UHFFFAOYSA-N 2 2 313.405 1.571 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccc(C)o1 ZINC000087219210 353748312 /nfs/dbraw/zinc/74/83/12/353748312.db2.gz KORHHPLOELLIGS-GFCCVEGCSA-N 2 2 318.425 1.814 20 30 DDEDLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594032366 356095274 /nfs/dbraw/zinc/09/52/74/356095274.db2.gz FGDYPMKJCBPYFT-UHFFFAOYSA-N 2 2 312.417 1.301 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329754665 223024447 /nfs/dbraw/zinc/02/44/47/223024447.db2.gz XKVLJBCIUGNBLU-AWEZNQCLSA-N 2 2 319.453 1.845 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329754665 223024450 /nfs/dbraw/zinc/02/44/50/223024450.db2.gz XKVLJBCIUGNBLU-AWEZNQCLSA-N 2 2 319.453 1.845 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC[C@H]3O)CC2)cc1 ZINC000599012247 357793806 /nfs/dbraw/zinc/79/38/06/357793806.db2.gz QDQWCSSKKSFMAP-QZTJIDSGSA-N 2 2 315.417 1.262 20 30 DDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600743125 358304724 /nfs/dbraw/zinc/30/47/24/358304724.db2.gz ZXTYQPTXXVOGJS-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600743125 358304727 /nfs/dbraw/zinc/30/47/27/358304727.db2.gz ZXTYQPTXXVOGJS-HOTGVXAUSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CCC#N)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000602509943 359019870 /nfs/dbraw/zinc/01/98/70/359019870.db2.gz IGOHEPLAXREDPI-MRXNPFEDSA-N 2 2 316.453 1.518 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247961820 285039292 /nfs/dbraw/zinc/03/92/92/285039292.db2.gz GHSOPOHTTZNONG-OAGGEKHMSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247961820 285039295 /nfs/dbraw/zinc/03/92/95/285039295.db2.gz GHSOPOHTTZNONG-OAGGEKHMSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247961820 285039298 /nfs/dbraw/zinc/03/92/98/285039298.db2.gz GHSOPOHTTZNONG-OAGGEKHMSA-N 2 2 306.454 1.411 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247961820 285039301 /nfs/dbraw/zinc/03/93/01/285039301.db2.gz GHSOPOHTTZNONG-OAGGEKHMSA-N 2 2 306.454 1.411 20 30 DDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000111241037 407402553 /nfs/dbraw/zinc/40/25/53/407402553.db2.gz RRFMPFHDHGTVAB-OAHLLOKOSA-N 2 2 308.470 1.801 20 30 DDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000111241037 407402554 /nfs/dbraw/zinc/40/25/54/407402554.db2.gz RRFMPFHDHGTVAB-OAHLLOKOSA-N 2 2 308.470 1.801 20 30 DDEDLP N#CC1(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000111243339 407403434 /nfs/dbraw/zinc/40/34/34/407403434.db2.gz FJDNOYFMLWVPJS-UHFFFAOYSA-N 2 2 315.421 1.863 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1ccccc1Cl ZINC000114085613 407539694 /nfs/dbraw/zinc/53/96/94/407539694.db2.gz FSKSEWUOKVRNQF-CQSZACIVSA-N 2 2 324.856 1.678 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1ccccc1Cl ZINC000114085613 407539700 /nfs/dbraw/zinc/53/97/00/407539700.db2.gz FSKSEWUOKVRNQF-CQSZACIVSA-N 2 2 324.856 1.678 20 30 DDEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036016 407948467 /nfs/dbraw/zinc/94/84/67/407948467.db2.gz UJIWZEZNDHNIOW-IAGOWNOFSA-N 2 2 323.481 1.644 20 30 DDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000121318195 408184314 /nfs/dbraw/zinc/18/43/14/408184314.db2.gz HYQSYCBFPBTPHS-UHFFFAOYSA-N 2 2 301.434 1.757 20 30 DDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000121318195 408184319 /nfs/dbraw/zinc/18/43/19/408184319.db2.gz HYQSYCBFPBTPHS-UHFFFAOYSA-N 2 2 301.434 1.757 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150848386 408213018 /nfs/dbraw/zinc/21/30/18/408213018.db2.gz QINJNALLLXMGOH-JKSUJKDBSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150848386 408213021 /nfs/dbraw/zinc/21/30/21/408213021.db2.gz QINJNALLLXMGOH-JKSUJKDBSA-N 2 2 306.454 1.412 20 30 DDEDLP C[NH+]=C(NCc1ccoc1)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176317037 408337054 /nfs/dbraw/zinc/33/70/54/408337054.db2.gz DXFVPIKYTZXJJI-ZIAGYGMSSA-N 2 2 322.453 1.832 20 30 DDEDLP Cc1nc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000183787271 408488297 /nfs/dbraw/zinc/48/82/97/408488297.db2.gz TZLZGCPLZXISNP-UHFFFAOYSA-N 2 2 323.400 1.858 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000177140761 408534707 /nfs/dbraw/zinc/53/47/07/408534707.db2.gz DCOQSMURNVRWGT-UHFFFAOYSA-N 2 2 314.433 1.243 20 30 DDEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000276509573 408873155 /nfs/dbraw/zinc/87/31/55/408873155.db2.gz XJGJPCYGAISIJT-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285940414 408893207 /nfs/dbraw/zinc/89/32/07/408893207.db2.gz DJTRLIHEBDCQKN-UHFFFAOYSA-N 2 2 316.449 1.431 20 30 DDEDLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285940414 408893210 /nfs/dbraw/zinc/89/32/10/408893210.db2.gz DJTRLIHEBDCQKN-UHFFFAOYSA-N 2 2 316.449 1.431 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000316860478 164024530 /nfs/dbraw/zinc/02/45/30/164024530.db2.gz SYAXGBJFOSNKKW-JKSUJKDBSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000316860478 164024532 /nfs/dbraw/zinc/02/45/32/164024532.db2.gz SYAXGBJFOSNKKW-JKSUJKDBSA-N 2 2 301.390 1.520 20 30 DDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000354284270 409748182 /nfs/dbraw/zinc/74/81/82/409748182.db2.gz ULPDIBDSHUPGII-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000354284270 409748190 /nfs/dbraw/zinc/74/81/90/409748190.db2.gz ULPDIBDSHUPGII-UHFFFAOYSA-N 2 2 314.433 1.591 20 30 DDEDLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328623269 409936725 /nfs/dbraw/zinc/93/67/25/409936725.db2.gz YSCGDFMNBOGEBA-OAHLLOKOSA-N 2 2 319.453 1.948 20 30 DDEDLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328618231 409938244 /nfs/dbraw/zinc/93/82/44/409938244.db2.gz UXPYSTOIOSPJBS-GJZGRUSLSA-N 2 2 319.453 1.948 20 30 DDEDLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328618231 409938250 /nfs/dbraw/zinc/93/82/50/409938250.db2.gz UXPYSTOIOSPJBS-GJZGRUSLSA-N 2 2 319.453 1.948 20 30 DDEDLP C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329810953 410449299 /nfs/dbraw/zinc/44/92/99/410449299.db2.gz RBLYVAFZVMEIST-NYTXWWLZSA-N 2 2 324.469 1.082 20 30 DDEDLP C[C@@H](NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329810953 410449303 /nfs/dbraw/zinc/44/93/03/410449303.db2.gz RBLYVAFZVMEIST-NYTXWWLZSA-N 2 2 324.469 1.082 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccc1C#N ZINC000358414477 410464960 /nfs/dbraw/zinc/46/49/60/410464960.db2.gz XVGHMTARVDGMMF-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccc1C#N ZINC000358414477 410464973 /nfs/dbraw/zinc/46/49/73/410464973.db2.gz XVGHMTARVDGMMF-UHFFFAOYSA-N 2 2 315.421 1.051 20 30 DDEDLP Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C#N)c[nH+]1 ZINC000333563391 410582660 /nfs/dbraw/zinc/58/26/60/410582660.db2.gz LHBOXVSIXSJKJM-DOTOQJQBSA-N 2 2 300.406 1.984 20 30 DDEDLP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042709 221907576 /nfs/dbraw/zinc/90/75/76/221907576.db2.gz WXXADKKEEXJRRA-OWCLPIDISA-N 2 2 309.454 1.110 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205757 418571024 /nfs/dbraw/zinc/57/10/24/418571024.db2.gz LIKXQWPLJZLABO-RDJZCZTQSA-N 2 2 306.454 1.553 20 30 DDEDLP CC[C@@](C)(C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205757 418571027 /nfs/dbraw/zinc/57/10/27/418571027.db2.gz LIKXQWPLJZLABO-RDJZCZTQSA-N 2 2 306.454 1.553 20 30 DDEDLP COc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+](C)C)cc1OC ZINC000262657129 222288151 /nfs/dbraw/zinc/28/81/51/222288151.db2.gz LXWFIRHZLISUFO-DGCLKSJQSA-N 2 2 306.410 1.244 20 30 DDEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264068766 222312579 /nfs/dbraw/zinc/31/25/79/222312579.db2.gz CMYMIORXHXWNSO-HOTGVXAUSA-N 2 2 317.481 1.900 20 30 DDEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264068765 222313090 /nfs/dbraw/zinc/31/30/90/222313090.db2.gz CMYMIORXHXWNSO-CVEARBPZSA-N 2 2 317.481 1.900 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372004087 418830096 /nfs/dbraw/zinc/83/00/96/418830096.db2.gz RHFCJBSUMQTLIJ-OAHLLOKOSA-N 2 2 305.466 1.663 20 30 DDEDLP C#CCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372004087 418830098 /nfs/dbraw/zinc/83/00/98/418830098.db2.gz RHFCJBSUMQTLIJ-OAHLLOKOSA-N 2 2 305.466 1.663 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371664842 418808341 /nfs/dbraw/zinc/80/83/41/418808341.db2.gz YRUOBSKSPGWXLA-GOSISDBHSA-N 2 2 314.433 1.054 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441042234 420627716 /nfs/dbraw/zinc/62/77/16/420627716.db2.gz DTNAPAQKLRKVIH-INIZCTEOSA-N 2 2 322.497 1.168 20 30 DDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564097269 421569674 /nfs/dbraw/zinc/56/96/74/421569674.db2.gz XZFCIEBWYJJGQU-UHFFFAOYSA-N 2 2 324.388 1.432 20 30 DDEDLP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000566351602 421605294 /nfs/dbraw/zinc/60/52/94/421605294.db2.gz SBILCWSVUQFTFG-QGZVFWFLSA-N 2 2 320.458 1.507 20 30 DDEDLP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000566351602 421605298 /nfs/dbraw/zinc/60/52/98/421605298.db2.gz SBILCWSVUQFTFG-QGZVFWFLSA-N 2 2 320.458 1.507 20 30 DDEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536741311 421724427 /nfs/dbraw/zinc/72/44/27/421724427.db2.gz WTLSHXRASLMHEE-UHFFFAOYSA-N 2 2 315.421 1.720 20 30 DDEDLP C=CC[C@]1(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662790275 424768287 /nfs/dbraw/zinc/76/82/87/424768287.db2.gz BTBPBHHYMZOZMF-HLLBOEOZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[C@]1(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662790275 424768289 /nfs/dbraw/zinc/76/82/89/424768289.db2.gz BTBPBHHYMZOZMF-HLLBOEOZSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[C@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]1 ZINC000662911105 424800139 /nfs/dbraw/zinc/80/01/39/424800139.db2.gz RPODQRBJXIFQNK-GOSISDBHSA-N 2 2 321.465 1.256 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C#Cc3ccccc3)C2)CC1 ZINC000370022137 277028319 /nfs/dbraw/zinc/02/83/19/277028319.db2.gz YQFMWJIVRQEKAW-KRWDZBQOSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C#Cc3ccccc3)C2)CC1 ZINC000370022137 277028320 /nfs/dbraw/zinc/02/83/20/277028320.db2.gz YQFMWJIVRQEKAW-KRWDZBQOSA-N 2 2 311.429 1.323 20 30 DDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414904 288117090 /nfs/dbraw/zinc/11/70/90/288117090.db2.gz AAXWAFYQQMDAOI-HIFRSBDPSA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414904 288117091 /nfs/dbraw/zinc/11/70/91/288117091.db2.gz AAXWAFYQQMDAOI-HIFRSBDPSA-N 2 2 319.453 1.098 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371663201 307155720 /nfs/dbraw/zinc/15/57/20/307155720.db2.gz GJWPFHOVSWTPQP-SFHVURJKSA-N 2 2 314.433 1.054 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572374944 308219643 /nfs/dbraw/zinc/21/96/43/308219643.db2.gz FSKJEMFLJJFKHA-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572374944 308219644 /nfs/dbraw/zinc/21/96/44/308219644.db2.gz FSKJEMFLJJFKHA-GOSISDBHSA-N 2 2 313.449 1.555 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cn1 ZINC000582615102 337114799 /nfs/dbraw/zinc/11/47/99/337114799.db2.gz PRPCEVSUHCJNOP-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cn1 ZINC000582615102 337114800 /nfs/dbraw/zinc/11/48/00/337114800.db2.gz PRPCEVSUHCJNOP-IKGGRYGDSA-N 2 2 300.406 1.637 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000490948032 526950629 /nfs/dbraw/zinc/95/06/29/526950629.db2.gz CQKVDNDNDZDEEK-CQSZACIVSA-N 2 2 319.474 1.793 20 30 DDEDLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347043703 528563880 /nfs/dbraw/zinc/56/38/80/528563880.db2.gz QKLSSIAUVCHUBM-HNNXBMFYSA-N 2 2 324.469 1.228 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347543649 528694665 /nfs/dbraw/zinc/69/46/65/528694665.db2.gz YMEXZWKJNOLYQI-WBVHZDCISA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347543649 528694670 /nfs/dbraw/zinc/69/46/70/528694670.db2.gz YMEXZWKJNOLYQI-WBVHZDCISA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347543649 528694671 /nfs/dbraw/zinc/69/46/71/528694671.db2.gz YMEXZWKJNOLYQI-WBVHZDCISA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347543649 528694673 /nfs/dbraw/zinc/69/46/73/528694673.db2.gz YMEXZWKJNOLYQI-WBVHZDCISA-N 2 2 320.481 1.658 20 30 DDEDLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000330258200 528821475 /nfs/dbraw/zinc/82/14/75/528821475.db2.gz MERGFRZYYGRIDP-OAHLLOKOSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000330258200 528821478 /nfs/dbraw/zinc/82/14/78/528821478.db2.gz MERGFRZYYGRIDP-OAHLLOKOSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330258200 528821481 /nfs/dbraw/zinc/82/14/81/528821481.db2.gz MERGFRZYYGRIDP-OAHLLOKOSA-N 2 2 322.453 1.124 20 30 DDEDLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330258200 528821483 /nfs/dbraw/zinc/82/14/83/528821483.db2.gz MERGFRZYYGRIDP-OAHLLOKOSA-N 2 2 322.453 1.124 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980234956 696715082 /nfs/dbraw/zinc/71/50/82/696715082.db2.gz YMKDDHRJHXQNDY-ARFHVFGLSA-N 2 2 314.433 1.501 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC000980234956 696715084 /nfs/dbraw/zinc/71/50/84/696715084.db2.gz YMKDDHRJHXQNDY-ARFHVFGLSA-N 2 2 314.433 1.501 20 30 DDEDLP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974745115 695724780 /nfs/dbraw/zinc/72/47/80/695724780.db2.gz WNAUWGOMOAJROK-AWEZNQCLSA-N 2 2 304.438 1.939 20 30 DDEDLP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000974745115 695724781 /nfs/dbraw/zinc/72/47/81/695724781.db2.gz WNAUWGOMOAJROK-AWEZNQCLSA-N 2 2 304.438 1.939 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974779871 695732864 /nfs/dbraw/zinc/73/28/64/695732864.db2.gz RCQXCAJHFONDMM-INIZCTEOSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974779871 695732866 /nfs/dbraw/zinc/73/28/66/695732866.db2.gz RCQXCAJHFONDMM-INIZCTEOSA-N 2 2 310.401 1.798 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978478988 696389257 /nfs/dbraw/zinc/38/92/57/696389257.db2.gz FXTUSWOKMOTQCK-QKDCVEJESA-N 2 2 308.385 1.265 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978478988 696389258 /nfs/dbraw/zinc/38/92/58/696389258.db2.gz FXTUSWOKMOTQCK-QKDCVEJESA-N 2 2 308.385 1.265 20 30 DDEDLP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800725 697576630 /nfs/dbraw/zinc/57/66/30/697576630.db2.gz LVGBTJNYOGARPN-KRWDZBQOSA-N 2 2 316.449 1.793 20 30 DDEDLP C=CC[N@H+](C)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000985800725 697576631 /nfs/dbraw/zinc/57/66/31/697576631.db2.gz LVGBTJNYOGARPN-KRWDZBQOSA-N 2 2 316.449 1.793 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491006 698641953 /nfs/dbraw/zinc/64/19/53/698641953.db2.gz CHSSBFJAYXQVHE-CXAGYDPISA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989608389 698691715 /nfs/dbraw/zinc/69/17/15/698691715.db2.gz IWVGTWOGBOIFLF-XJKSGUPXSA-N 2 2 323.400 1.603 20 30 DDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989608387 698692125 /nfs/dbraw/zinc/69/21/25/698692125.db2.gz IWVGTWOGBOIFLF-CZUORRHYSA-N 2 2 323.400 1.603 20 30 DDEDLP C=CCn1nnn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755781348 700583849 /nfs/dbraw/zinc/58/38/49/700583849.db2.gz VELKKJBWSNQYFB-CQSZACIVSA-N 2 2 322.482 1.616 20 30 DDEDLP C=CCn1nnn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755781348 700583851 /nfs/dbraw/zinc/58/38/51/700583851.db2.gz VELKKJBWSNQYFB-CQSZACIVSA-N 2 2 322.482 1.616 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275601 701511633 /nfs/dbraw/zinc/51/16/33/701511633.db2.gz ZBDMFDYQLZMEPG-GDBMZVCRSA-N 2 2 320.481 1.502 20 30 DDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000808275601 701511635 /nfs/dbraw/zinc/51/16/35/701511635.db2.gz ZBDMFDYQLZMEPG-GDBMZVCRSA-N 2 2 320.481 1.502 20 30 DDEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569213 706720382 /nfs/dbraw/zinc/72/03/82/706720382.db2.gz LDIYHTBYTARPGH-ZIAGYGMSSA-N 2 2 318.446 1.974 20 30 DDEDLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569213 706720384 /nfs/dbraw/zinc/72/03/84/706720384.db2.gz LDIYHTBYTARPGH-ZIAGYGMSSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569213 706720385 /nfs/dbraw/zinc/72/03/85/706720385.db2.gz LDIYHTBYTARPGH-ZIAGYGMSSA-N 2 2 318.446 1.974 20 30 DDEDLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569213 706720387 /nfs/dbraw/zinc/72/03/87/706720387.db2.gz LDIYHTBYTARPGH-ZIAGYGMSSA-N 2 2 318.446 1.974 20 30 DDEDLP C#C[C@](C)(CC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852099607 703922625 /nfs/dbraw/zinc/92/26/25/703922625.db2.gz NNIZTUXABJDQSH-GOSISDBHSA-N 2 2 314.433 1.512 20 30 DDEDLP Cc1ccc(C#N)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824958152 705567176 /nfs/dbraw/zinc/56/71/76/705567176.db2.gz SNCKWBWWKSEURA-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP Cc1ccc(C#N)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824958152 705567177 /nfs/dbraw/zinc/56/71/77/705567177.db2.gz SNCKWBWWKSEURA-UHFFFAOYSA-N 2 2 302.422 1.480 20 30 DDEDLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876892903 705911504 /nfs/dbraw/zinc/91/15/04/705911504.db2.gz CESKOBGRJFKCCU-QGZVFWFLSA-N 2 2 323.400 1.490 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000883131378 707935687 /nfs/dbraw/zinc/93/56/87/707935687.db2.gz ZKPBCUCXDCNWLE-UHFFFAOYSA-N 2 2 312.417 1.926 20 30 DDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000883131378 707935688 /nfs/dbraw/zinc/93/56/88/707935688.db2.gz ZKPBCUCXDCNWLE-UHFFFAOYSA-N 2 2 312.417 1.926 20 30 DDEDLP C[NH+](C)CC#CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000913523611 713245487 /nfs/dbraw/zinc/24/54/87/713245487.db2.gz GPZKPKUDIGNKRJ-LLVKDONJSA-N 2 2 302.300 1.058 20 30 DDEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685698 711577194 /nfs/dbraw/zinc/57/71/94/711577194.db2.gz NFOPLXGONKWZPW-IRXDYDNUSA-N 2 2 308.470 1.312 20 30 DDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921717496 713852328 /nfs/dbraw/zinc/85/23/28/713852328.db2.gz RPUWLHJCPLEALW-UHFFFAOYSA-N 2 2 320.462 1.652 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000923292253 714299171 /nfs/dbraw/zinc/29/91/71/714299171.db2.gz IRAQKHIMEQVJGT-HZPDHXFCSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000923292253 714299173 /nfs/dbraw/zinc/29/91/73/714299173.db2.gz IRAQKHIMEQVJGT-HZPDHXFCSA-N 2 2 320.433 1.587 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000923409346 714346475 /nfs/dbraw/zinc/34/64/75/714346475.db2.gz HXUJIOJMKRFNLF-UKRRQHHQSA-N 2 2 308.422 1.442 20 30 DDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000923409346 714346478 /nfs/dbraw/zinc/34/64/78/714346478.db2.gz HXUJIOJMKRFNLF-UKRRQHHQSA-N 2 2 308.422 1.442 20 30 DDEDLP C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934464127 714826838 /nfs/dbraw/zinc/82/68/38/714826838.db2.gz MPBXMIZAPBOHDL-JKSUJKDBSA-N 2 2 314.433 1.769 20 30 DDEDLP C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934464127 714826841 /nfs/dbraw/zinc/82/68/41/714826841.db2.gz MPBXMIZAPBOHDL-JKSUJKDBSA-N 2 2 314.433 1.769 20 30 DDEDLP C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000957286220 715817007 /nfs/dbraw/zinc/81/70/07/715817007.db2.gz SWBKKGMWXPXALQ-UHFFFAOYSA-N 2 2 300.406 1.317 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844258 716987433 /nfs/dbraw/zinc/98/74/33/716987433.db2.gz FXAMPMKDRCHPFR-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940844258 716987437 /nfs/dbraw/zinc/98/74/37/716987437.db2.gz FXAMPMKDRCHPFR-CABCVRRESA-N 2 2 316.449 1.848 20 30 DDEDLP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963383636 717770077 /nfs/dbraw/zinc/77/00/77/717770077.db2.gz JXHIPCHTWRFUIP-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000963383636 717770078 /nfs/dbraw/zinc/77/00/78/717770078.db2.gz JXHIPCHTWRFUIP-NVXWUHKLSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911303 718941769 /nfs/dbraw/zinc/94/17/69/718941769.db2.gz NAWBKMGWAGWHQU-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946911303 718941772 /nfs/dbraw/zinc/94/17/72/718941772.db2.gz NAWBKMGWAGWHQU-IYBDPMFKSA-N 2 2 300.406 1.077 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654539 719718759 /nfs/dbraw/zinc/71/87/59/719718759.db2.gz BCZGXPPDIIHMTL-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968654539 719718762 /nfs/dbraw/zinc/71/87/62/719718762.db2.gz BCZGXPPDIIHMTL-SMDDNHRTSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000950350107 720590458 /nfs/dbraw/zinc/59/04/58/720590458.db2.gz LQODZCTYNBOFDM-UHFFFAOYSA-N 2 2 319.453 1.167 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047688 720611232 /nfs/dbraw/zinc/61/12/32/720611232.db2.gz PPJSGXOMQICITP-CYBMUJFWSA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504707 732446368 /nfs/dbraw/zinc/44/63/68/732446368.db2.gz SUIUVCPDAJGCKY-ZOBUZTSGSA-N 2 2 321.465 1.443 20 30 DDEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504707 732446370 /nfs/dbraw/zinc/44/63/70/732446370.db2.gz SUIUVCPDAJGCKY-ZOBUZTSGSA-N 2 2 321.465 1.443 20 30 DDEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486125 733141661 /nfs/dbraw/zinc/14/16/61/733141661.db2.gz AVDNHGHWEVYNRG-YJBOKZPZSA-N 2 2 314.433 1.204 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575976 733332412 /nfs/dbraw/zinc/33/24/12/733332412.db2.gz PUWCNUQAESECCR-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575976 733332417 /nfs/dbraw/zinc/33/24/17/733332417.db2.gz PUWCNUQAESECCR-JKSUJKDBSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253293 733377474 /nfs/dbraw/zinc/37/74/74/733377474.db2.gz CNVPVGLQENUMKP-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253293 733377476 /nfs/dbraw/zinc/37/74/76/733377476.db2.gz CNVPVGLQENUMKP-IRXDYDNUSA-N 2 2 314.433 1.609 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001022095875 734384133 /nfs/dbraw/zinc/38/41/33/734384133.db2.gz XWVAXIWMLODQNJ-LVQVYYBASA-N 2 2 312.417 1.024 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167509867 734641935 /nfs/dbraw/zinc/64/19/35/734641935.db2.gz SWGCTOLWFHDXNK-UHFFFAOYSA-N 2 2 309.454 1.303 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001023158644 735064391 /nfs/dbraw/zinc/06/43/91/735064391.db2.gz AXFOSOZMTXBOFW-TXEJJXNPSA-N 2 2 315.402 1.253 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452215 735244442 /nfs/dbraw/zinc/24/44/42/735244442.db2.gz UWZPJZIXILTMQI-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452215 735244444 /nfs/dbraw/zinc/24/44/44/735244444.db2.gz UWZPJZIXILTMQI-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452218 735244821 /nfs/dbraw/zinc/24/48/21/735244821.db2.gz UWZPJZIXILTMQI-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023452218 735244825 /nfs/dbraw/zinc/24/48/25/735244825.db2.gz UWZPJZIXILTMQI-JKSUJKDBSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024514960 735890612 /nfs/dbraw/zinc/89/06/12/735890612.db2.gz JHEXIULCQZJQEA-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001024514960 735890616 /nfs/dbraw/zinc/89/06/16/735890616.db2.gz JHEXIULCQZJQEA-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981131 738902756 /nfs/dbraw/zinc/90/27/56/738902756.db2.gz JVBCOAGABHRBCJ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027981131 738902757 /nfs/dbraw/zinc/90/27/57/738902757.db2.gz JVBCOAGABHRBCJ-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980305 738904491 /nfs/dbraw/zinc/90/44/91/738904491.db2.gz PVDGYUFARXQECY-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980305 738904494 /nfs/dbraw/zinc/90/44/94/738904494.db2.gz PVDGYUFARXQECY-CVEARBPZSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001107979591 751470140 /nfs/dbraw/zinc/47/01/40/751470140.db2.gz IQEPMTGMLFOTFH-GDBMZVCRSA-N 2 2 315.433 1.059 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035486521 751540057 /nfs/dbraw/zinc/54/00/57/751540057.db2.gz CASLBYVHCSPJRQ-HNNXBMFYSA-N 2 2 321.421 1.348 20 30 DDEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035486521 751540061 /nfs/dbraw/zinc/54/00/61/751540061.db2.gz CASLBYVHCSPJRQ-HNNXBMFYSA-N 2 2 321.421 1.348 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001029342816 740582556 /nfs/dbraw/zinc/58/25/56/740582556.db2.gz IASBDPJTERMLQB-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029342816 740582557 /nfs/dbraw/zinc/58/25/57/740582557.db2.gz IASBDPJTERMLQB-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029342816 740582559 /nfs/dbraw/zinc/58/25/59/740582559.db2.gz IASBDPJTERMLQB-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029342816 740582561 /nfs/dbraw/zinc/58/25/61/740582561.db2.gz IASBDPJTERMLQB-KSZLIROESA-N 2 2 317.477 1.805 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035534438 751615714 /nfs/dbraw/zinc/61/57/14/751615714.db2.gz UKMRONCRXRIWOA-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035534438 751615718 /nfs/dbraw/zinc/61/57/18/751615718.db2.gz UKMRONCRXRIWOA-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534438 751615722 /nfs/dbraw/zinc/61/57/22/751615722.db2.gz UKMRONCRXRIWOA-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035534438 751615726 /nfs/dbraw/zinc/61/57/26/751615726.db2.gz UKMRONCRXRIWOA-SJORKVTESA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001035570464 751623981 /nfs/dbraw/zinc/62/39/81/751623981.db2.gz ADZNIIKBYYPGHY-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001035570464 751623986 /nfs/dbraw/zinc/62/39/86/751623986.db2.gz ADZNIIKBYYPGHY-QGZVFWFLSA-N 2 2 321.465 1.111 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621123 742018049 /nfs/dbraw/zinc/01/80/49/742018049.db2.gz RDGMMWKKOSZJEB-ILXRZTDVSA-N 2 2 300.406 1.363 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621123 742018053 /nfs/dbraw/zinc/01/80/53/742018053.db2.gz RDGMMWKKOSZJEB-ILXRZTDVSA-N 2 2 300.406 1.363 20 30 DDEDLP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767712 743721607 /nfs/dbraw/zinc/72/16/07/743721607.db2.gz ICBFARKTMQRQGK-JFIYKMOQSA-N 2 2 316.449 1.932 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203607251 744156847 /nfs/dbraw/zinc/15/68/47/744156847.db2.gz VMNXRXOMCBQINV-GJZGRUSLSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001187051452 744492321 /nfs/dbraw/zinc/49/23/21/744492321.db2.gz RDRAPQZWZZWXJV-CQSZACIVSA-N 2 2 309.373 1.095 20 30 DDEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481579 745222251 /nfs/dbraw/zinc/22/22/51/745222251.db2.gz WMIFNDIPRFFALL-OWCLPIDISA-N 2 2 302.422 1.771 20 30 DDEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481579 745222259 /nfs/dbraw/zinc/22/22/59/745222259.db2.gz WMIFNDIPRFFALL-OWCLPIDISA-N 2 2 302.422 1.771 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018984 745406565 /nfs/dbraw/zinc/40/65/65/745406565.db2.gz IBXBMHSRGKDXEJ-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191018984 745406569 /nfs/dbraw/zinc/40/65/69/745406569.db2.gz IBXBMHSRGKDXEJ-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018984 745406572 /nfs/dbraw/zinc/40/65/72/745406572.db2.gz IBXBMHSRGKDXEJ-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191018984 745406577 /nfs/dbraw/zinc/40/65/77/745406577.db2.gz IBXBMHSRGKDXEJ-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001191551947 745547848 /nfs/dbraw/zinc/54/78/48/745547848.db2.gz QMSNXPRMVOYZOC-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001191551947 745547850 /nfs/dbraw/zinc/54/78/50/745547850.db2.gz QMSNXPRMVOYZOC-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191551947 745547851 /nfs/dbraw/zinc/54/78/51/745547851.db2.gz QMSNXPRMVOYZOC-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001191551947 745547852 /nfs/dbraw/zinc/54/78/52/745547852.db2.gz QMSNXPRMVOYZOC-SJORKVTESA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678082 745894636 /nfs/dbraw/zinc/89/46/36/745894636.db2.gz XOSYONICLLEQAH-KLHDSHLOSA-N 2 2 314.433 1.231 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748371 746025086 /nfs/dbraw/zinc/02/50/86/746025086.db2.gz WIFFNGSVLBWWOX-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748371 746025087 /nfs/dbraw/zinc/02/50/87/746025087.db2.gz WIFFNGSVLBWWOX-RBSFLKMASA-N 2 2 304.438 1.849 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C 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YQMMOBOEFADFAD-SRABZTEZSA-N 2 2 314.433 1.743 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084462531 757580382 /nfs/dbraw/zinc/58/03/82/757580382.db2.gz RPGSUGSEVLYQJF-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084462531 757580390 /nfs/dbraw/zinc/58/03/90/757580390.db2.gz RPGSUGSEVLYQJF-ZMSDIMECSA-N 2 2 312.417 1.002 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765316 758216072 /nfs/dbraw/zinc/21/60/72/758216072.db2.gz HGOXPWXAAPGYBK-BBWFWOEESA-N 2 2 303.450 1.722 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765316 758216082 /nfs/dbraw/zinc/21/60/82/758216082.db2.gz HGOXPWXAAPGYBK-BBWFWOEESA-N 2 2 303.450 1.722 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822095 758850782 /nfs/dbraw/zinc/85/07/82/758850782.db2.gz GAXCKQFWVPPCQC-JKSUJKDBSA-N 2 2 321.465 1.396 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144170 759221010 /nfs/dbraw/zinc/22/10/10/759221010.db2.gz RBTSNTWCRLDYPU-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144170 759221017 /nfs/dbraw/zinc/22/10/17/759221017.db2.gz RBTSNTWCRLDYPU-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144170 759221025 /nfs/dbraw/zinc/22/10/25/759221025.db2.gz RBTSNTWCRLDYPU-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144170 759221031 /nfs/dbraw/zinc/22/10/31/759221031.db2.gz RBTSNTWCRLDYPU-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437178 759937461 /nfs/dbraw/zinc/93/74/61/759937461.db2.gz GSOQKICKLSANIX-HNNXBMFYSA-N 2 2 309.373 1.215 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680735 759993219 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2 322.412 1.980 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091795306 773809517 /nfs/dbraw/zinc/80/95/17/773809517.db2.gz RNMULXNBWSOZEP-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091795306 773809521 /nfs/dbraw/zinc/80/95/21/773809521.db2.gz RNMULXNBWSOZEP-RKVPGOIHSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001074308307 773811419 /nfs/dbraw/zinc/81/14/19/773811419.db2.gz XBMBQMBHZOQVCQ-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001074308307 773811425 /nfs/dbraw/zinc/81/14/25/773811425.db2.gz XBMBQMBHZOQVCQ-HOTGVXAUSA-N 2 2 318.421 1.151 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092741935 774244108 /nfs/dbraw/zinc/24/41/08/774244108.db2.gz LFMSGWNEYDPDPA-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092741935 774244116 /nfs/dbraw/zinc/24/41/16/774244116.db2.gz LFMSGWNEYDPDPA-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753786 774250745 /nfs/dbraw/zinc/25/07/45/774250745.db2.gz WDDIJNLVMNGYCX-ZIAGYGMSSA-N 2 2 318.421 1.057 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753786 774250747 /nfs/dbraw/zinc/25/07/47/774250747.db2.gz WDDIJNLVMNGYCX-ZIAGYGMSSA-N 2 2 318.421 1.057 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747141 774468005 /nfs/dbraw/zinc/46/80/05/774468005.db2.gz FHENHPUPJFCRJD-HOCLYGCPSA-N 2 2 313.401 1.189 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]21 ZINC001036747141 774468010 /nfs/dbraw/zinc/46/80/10/774468010.db2.gz FHENHPUPJFCRJD-HOCLYGCPSA-N 2 2 313.401 1.189 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911909 774717035 /nfs/dbraw/zinc/71/70/35/774717035.db2.gz YELSNROQMBOSRT-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001098911909 774717040 /nfs/dbraw/zinc/71/70/40/774717040.db2.gz YELSNROQMBOSRT-MPGHIAIKSA-N 2 2 314.433 1.602 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093516099 774766196 /nfs/dbraw/zinc/76/61/96/774766196.db2.gz FYMXLAPYUBXZJM-KRWDZBQOSA-N 2 2 321.465 1.349 20 30 DDEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093516099 774766203 /nfs/dbraw/zinc/76/62/03/774766203.db2.gz FYMXLAPYUBXZJM-KRWDZBQOSA-N 2 2 321.465 1.349 20 30 DDEDLP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486471 776294696 /nfs/dbraw/zinc/29/46/96/776294696.db2.gz JZOLEJIFACMCRL-OAHLLOKOSA-N 2 2 317.433 1.921 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604502 776365745 /nfs/dbraw/zinc/36/57/45/776365745.db2.gz 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C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049557261 856974054 /nfs/dbraw/zinc/97/40/54/856974054.db2.gz FRKRRTINNSVXIV-HYVNUMGLSA-N 2 2 312.417 1.144 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001049557261 856974060 /nfs/dbraw/zinc/97/40/60/856974060.db2.gz FRKRRTINNSVXIV-HYVNUMGLSA-N 2 2 312.417 1.144 20 30 DDEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732223 863178925 /nfs/dbraw/zinc/17/89/25/863178925.db2.gz CPNWLGVTWLSIPW-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732223 863178937 /nfs/dbraw/zinc/17/89/37/863178937.db2.gz CPNWLGVTWLSIPW-CVEARBPZSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732584 863179688 /nfs/dbraw/zinc/17/96/88/863179688.db2.gz IRDNPKUHHFPYLI-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328732584 863179692 /nfs/dbraw/zinc/17/96/92/863179692.db2.gz IRDNPKUHHFPYLI-CVEARBPZSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477209 863905775 /nfs/dbraw/zinc/90/57/75/863905775.db2.gz JZSYQAWUURJLPT-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477209 863905777 /nfs/dbraw/zinc/90/57/77/863905777.db2.gz JZSYQAWUURJLPT-CQSZACIVSA-N 2 2 304.438 1.775 20 30 DDEDLP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001319851743 866343557 /nfs/dbraw/zinc/34/35/57/866343557.db2.gz CKZACECUVZQVRR-LSDHHAIUSA-N 2 2 304.438 1.755 20 30 DDEDLP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319866038 866356570 /nfs/dbraw/zinc/35/65/70/866356570.db2.gz ZJESOSNTCTUFTC-CJNGLKHVSA-N 2 2 302.422 1.501 20 30 DDEDLP C=CCC[N@@H+](C)CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319998778 866422482 /nfs/dbraw/zinc/42/24/82/866422482.db2.gz CHVRQEMUQUQJIY-UHFFFAOYSA-N 2 2 304.438 1.728 20 30 DDEDLP C=CCC[N@H+](C)CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319998778 866422495 /nfs/dbraw/zinc/42/24/95/866422495.db2.gz CHVRQEMUQUQJIY-UHFFFAOYSA-N 2 2 304.438 1.728 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138122 870341783 /nfs/dbraw/zinc/34/17/83/870341783.db2.gz ASKIGFOFPFBPAK-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317138122 870341791 /nfs/dbraw/zinc/34/17/91/870341791.db2.gz ASKIGFOFPFBPAK-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138122 870341800 /nfs/dbraw/zinc/34/18/00/870341800.db2.gz ASKIGFOFPFBPAK-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317138122 870341809 /nfs/dbraw/zinc/34/18/09/870341809.db2.gz ASKIGFOFPFBPAK-CABCVRRESA-N 2 2 302.422 1.440 20 30 DDEDLP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001317426514 870812569 /nfs/dbraw/zinc/81/25/69/870812569.db2.gz IKOQMZDXVBFBOK-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001317426514 870812576 /nfs/dbraw/zinc/81/25/76/870812576.db2.gz IKOQMZDXVBFBOK-MRXNPFEDSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001317426513 870813585 /nfs/dbraw/zinc/81/35/85/870813585.db2.gz IKOQMZDXVBFBOK-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001317426513 870813601 /nfs/dbraw/zinc/81/36/01/870813601.db2.gz IKOQMZDXVBFBOK-INIZCTEOSA-N 2 2 316.449 1.737 20 30 DDEDLP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001318803750 872278615 /nfs/dbraw/zinc/27/86/15/872278615.db2.gz HEBALTFPAHFNRK-CVEARBPZSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001319027106 872403522 /nfs/dbraw/zinc/40/35/22/872403522.db2.gz INNTZAVJDOJWNV-MRXNPFEDSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CC[NH2+]CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001206768445 872562523 /nfs/dbraw/zinc/56/25/23/872562523.db2.gz FFCXIHRQXBWSFE-UHFFFAOYSA-N 2 2 323.400 1.342 20 30 DDEDLP C#C[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001206837063 872634542 /nfs/dbraw/zinc/63/45/42/872634542.db2.gz BNWJLHHRTNYFNR-GFCCVEGCSA-N 2 2 312.316 1.153 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001207583515 873404649 /nfs/dbraw/zinc/40/46/49/873404649.db2.gz WIDVMWHJKJEJGP-ZACQAIPSSA-N 2 2 323.456 1.660 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207583515 873404650 /nfs/dbraw/zinc/40/46/50/873404650.db2.gz WIDVMWHJKJEJGP-ZACQAIPSSA-N 2 2 323.456 1.660 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@H]1C ZINC001207583515 873404651 /nfs/dbraw/zinc/40/46/51/873404651.db2.gz WIDVMWHJKJEJGP-ZACQAIPSSA-N 2 2 323.456 1.660 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)C[C@H]1C ZINC001207583515 873404652 /nfs/dbraw/zinc/40/46/52/873404652.db2.gz WIDVMWHJKJEJGP-ZACQAIPSSA-N 2 2 323.456 1.660 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407812 874118467 /nfs/dbraw/zinc/11/84/67/874118467.db2.gz LECDIQKHSXYUCF-OAHLLOKOSA-N 2 2 301.390 1.237 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208451055 874153483 /nfs/dbraw/zinc/15/34/83/874153483.db2.gz QLLHRLBZIKFLDD-CABCVRRESA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001208453687 874157513 /nfs/dbraw/zinc/15/75/13/874157513.db2.gz NBFLOFPYSQCONP-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001211293471 875746750 /nfs/dbraw/zinc/74/67/50/875746750.db2.gz IXQPAPOGEXUUSM-IRXDYDNUSA-N 2 2 314.433 1.288 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010189 877872410 /nfs/dbraw/zinc/87/24/10/877872410.db2.gz FMSXYQVHUKTAIT-JKSUJKDBSA-N 2 2 318.421 1.138 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010189 877872417 /nfs/dbraw/zinc/87/24/17/877872417.db2.gz FMSXYQVHUKTAIT-JKSUJKDBSA-N 2 2 318.421 1.138 20 30 DDEDLP C[Si](C)(C)C#Cc1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219310983 878109067 /nfs/dbraw/zinc/10/90/67/878109067.db2.gz QQKYLYGHQPSCKC-HIFRSBDPSA-N 2 2 301.466 1.543 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947072 880163395 /nfs/dbraw/zinc/16/33/95/880163395.db2.gz QKVRRSNMMXOCPT-ZMSDIMECSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947072 880163397 /nfs/dbraw/zinc/16/33/97/880163397.db2.gz QKVRRSNMMXOCPT-ZMSDIMECSA-N 2 2 316.449 1.850 20 30 DDEDLP C[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961257 888873303 /nfs/dbraw/zinc/87/33/03/888873303.db2.gz VIKNMOFIXVPBLG-MAUKXSAKSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961257 888873313 /nfs/dbraw/zinc/87/33/13/888873313.db2.gz VIKNMOFIXVPBLG-MAUKXSAKSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961257 888873319 /nfs/dbraw/zinc/87/33/19/888873319.db2.gz VIKNMOFIXVPBLG-MAUKXSAKSA-N 2 2 316.449 1.565 20 30 DDEDLP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277961257 888873335 /nfs/dbraw/zinc/87/33/35/888873335.db2.gz VIKNMOFIXVPBLG-MAUKXSAKSA-N 2 2 316.449 1.565 20 30 DDEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246439702 892626543 /nfs/dbraw/zinc/62/65/43/892626543.db2.gz XHOMZCJJBVPXFP-CVEARBPZSA-N 2 2 302.397 1.638 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001366858586 895145646 /nfs/dbraw/zinc/14/56/46/895145646.db2.gz UBEJNNHAIFXITD-CYBMUJFWSA-N 2 2 310.829 1.841 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001366858586 895145657 /nfs/dbraw/zinc/14/56/57/895145657.db2.gz UBEJNNHAIFXITD-CYBMUJFWSA-N 2 2 310.829 1.841 20 30 DDEDLP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252594779 895295324 /nfs/dbraw/zinc/29/53/24/895295324.db2.gz BLKSMHQQGPIHJL-KSZLIROESA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252594779 895295339 /nfs/dbraw/zinc/29/53/39/895295339.db2.gz BLKSMHQQGPIHJL-KSZLIROESA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252594779 895295351 /nfs/dbraw/zinc/29/53/51/895295351.db2.gz BLKSMHQQGPIHJL-KSZLIROESA-N 2 2 301.434 1.772 20 30 DDEDLP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252594779 895295366 /nfs/dbraw/zinc/29/53/66/895295366.db2.gz BLKSMHQQGPIHJL-KSZLIROESA-N 2 2 301.434 1.772 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001368021626 898503616 /nfs/dbraw/zinc/50/36/16/898503616.db2.gz WBANVMNASCTOJC-UHFFFAOYSA-N 2 2 309.373 1.262 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001264514666 901160487 /nfs/dbraw/zinc/16/04/87/901160487.db2.gz DHTZRLQSKWQCLR-JKSUJKDBSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1 ZINC001264514665 901161272 /nfs/dbraw/zinc/16/12/72/901161272.db2.gz DHTZRLQSKWQCLR-HZPDHXFCSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265400959 901973062 /nfs/dbraw/zinc/97/30/62/901973062.db2.gz HXTCCNZRAYJKFP-INIZCTEOSA-N 2 2 320.437 1.256 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265400959 901973068 /nfs/dbraw/zinc/97/30/68/901973068.db2.gz HXTCCNZRAYJKFP-INIZCTEOSA-N 2 2 320.437 1.256 20 30 DDEDLP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266106064 902954248 /nfs/dbraw/zinc/95/42/48/902954248.db2.gz XDYXSNLWBXTPLZ-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266106064 902954253 /nfs/dbraw/zinc/95/42/53/902954253.db2.gz XDYXSNLWBXTPLZ-OAHLLOKOSA-N 2 2 302.422 1.299 20 30 DDEDLP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001281941442 905337137 /nfs/dbraw/zinc/33/71/37/905337137.db2.gz HYMSZMLMBITJAH-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001281941442 905337149 /nfs/dbraw/zinc/33/71/49/905337149.db2.gz HYMSZMLMBITJAH-GJZGRUSLSA-N 2 2 300.406 1.002 20 30 DDEDLP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001282930985 906268141 /nfs/dbraw/zinc/26/81/41/906268141.db2.gz ZRKQZPFRNKLQSK-KGLIPLIRSA-N 2 2 320.437 1.469 20 30 DDEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284069098 908423456 /nfs/dbraw/zinc/42/34/56/908423456.db2.gz GHPHNZDEZVWANZ-NVXWUHKLSA-N 2 2 300.406 1.410 20 30 DDEDLP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001284069098 908423470 /nfs/dbraw/zinc/42/34/70/908423470.db2.gz GHPHNZDEZVWANZ-NVXWUHKLSA-N 2 2 300.406 1.410 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130434 915054118 /nfs/dbraw/zinc/05/41/18/915054118.db2.gz BJSDYBFYPZSARS-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001375130434 915054131 /nfs/dbraw/zinc/05/41/31/915054131.db2.gz BJSDYBFYPZSARS-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000314234377 290805955 /nfs/dbraw/zinc/80/59/55/290805955.db2.gz HGBPQIUUZLIVRV-MRXNPFEDSA-N 2 2 303.406 1.324 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000578654655 354711436 /nfs/dbraw/zinc/71/14/36/354711436.db2.gz BGCYOPQTPFICOW-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP N#CC[C@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000592154525 355519989 /nfs/dbraw/zinc/51/99/89/355519989.db2.gz SVHOVEHLIMVCSK-SFHVURJKSA-N 2 2 315.417 1.369 20 30 DDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000592154525 355519993 /nfs/dbraw/zinc/51/99/93/355519993.db2.gz SVHOVEHLIMVCSK-SFHVURJKSA-N 2 2 315.417 1.369 20 30 DDEDLP Cc1cc(N[C@@H](C)C[NH+](C)C)c(C#N)c(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000596243431 356830601 /nfs/dbraw/zinc/83/06/01/356830601.db2.gz LNDKWCLIJIFTBT-KBPBESRZSA-N 3 2 318.469 1.986 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000329732090 223021048 /nfs/dbraw/zinc/02/10/48/223021048.db2.gz QAZJWEWIFWMJPE-LBPRGKRZSA-N 2 2 305.426 1.645 20 30 DDEDLP C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000329732090 223021050 /nfs/dbraw/zinc/02/10/50/223021050.db2.gz QAZJWEWIFWMJPE-LBPRGKRZSA-N 2 2 305.426 1.645 20 30 DDEDLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634104 358000258 /nfs/dbraw/zinc/00/02/58/358000258.db2.gz OYXKXMGJBAAHNB-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634104 358000260 /nfs/dbraw/zinc/00/02/60/358000260.db2.gz OYXKXMGJBAAHNB-KRWDZBQOSA-N 2 2 317.433 1.466 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257586 360277336 /nfs/dbraw/zinc/27/73/36/360277336.db2.gz AFMQULXBOPKWDH-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257586 360277340 /nfs/dbraw/zinc/27/73/40/360277340.db2.gz AFMQULXBOPKWDH-GJZGRUSLSA-N 2 2 303.410 1.528 20 30 DDEDLP C=CCOc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000629653589 422770810 /nfs/dbraw/zinc/77/08/10/422770810.db2.gz QPSIKRHZWVULRG-UHFFFAOYSA-N 2 2 300.362 1.496 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794006 194285966 /nfs/dbraw/zinc/28/59/66/194285966.db2.gz CBHXCTHJNSRAPA-MRXNPFEDSA-N 2 2 303.410 1.574 20 30 DDEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123600748 407334014 /nfs/dbraw/zinc/33/40/14/407334014.db2.gz PAXWGDLCJQNXND-HNNXBMFYSA-N 2 2 313.405 1.406 20 30 DDEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123600748 407334016 /nfs/dbraw/zinc/33/40/16/407334016.db2.gz PAXWGDLCJQNXND-HNNXBMFYSA-N 2 2 313.405 1.406 20 30 DDEDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000171689741 407742632 /nfs/dbraw/zinc/74/26/32/407742632.db2.gz XQHJRECVOJDGDO-KRWDZBQOSA-N 2 2 317.433 1.760 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272392503 407898842 /nfs/dbraw/zinc/89/88/42/407898842.db2.gz JJBCROBRHYFAFO-UHFFFAOYSA-N 2 2 309.373 1.048 20 30 DDEDLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000270878972 408721272 /nfs/dbraw/zinc/72/12/72/408721272.db2.gz NGAAEWVMWAZLRE-CYBMUJFWSA-N 2 2 311.393 1.064 20 30 DDEDLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000270878972 408721277 /nfs/dbraw/zinc/72/12/77/408721277.db2.gz NGAAEWVMWAZLRE-CYBMUJFWSA-N 2 2 311.393 1.064 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265553117 408690179 /nfs/dbraw/zinc/69/01/79/408690179.db2.gz ZAAXUSOHNKRMLU-MRXNPFEDSA-N 2 2 303.410 1.644 20 30 DDEDLP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000281765660 408926083 /nfs/dbraw/zinc/92/60/83/408926083.db2.gz RZWIOEBNAPRAFP-CQSZACIVSA-N 2 2 303.406 1.625 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000292749108 409040801 /nfs/dbraw/zinc/04/08/01/409040801.db2.gz RCAFRMIUCIIOJW-UHFFFAOYSA-N 2 2 304.394 1.540 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648826 410131834 /nfs/dbraw/zinc/13/18/34/410131834.db2.gz UUAFBMGXUVUZSG-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000351648826 410131842 /nfs/dbraw/zinc/13/18/42/410131842.db2.gz UUAFBMGXUVUZSG-HZPDHXFCSA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000341835718 411067884 /nfs/dbraw/zinc/06/78/84/411067884.db2.gz PDVRDOSSEYDRMC-BRSBDYLESA-N 2 2 308.466 1.988 20 30 DDEDLP CC[C@@H]1CO[C@H](C)C[NH+]1CC#CC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000341835718 411067890 /nfs/dbraw/zinc/06/78/90/411067890.db2.gz PDVRDOSSEYDRMC-BRSBDYLESA-N 2 2 308.466 1.988 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245577772 222217750 /nfs/dbraw/zinc/21/77/50/222217750.db2.gz ICWTZXALMVLQBC-MELADBBJSA-N 2 2 319.409 1.166 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245577772 222217753 /nfs/dbraw/zinc/21/77/53/222217753.db2.gz ICWTZXALMVLQBC-MELADBBJSA-N 2 2 319.409 1.166 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011757 222226411 /nfs/dbraw/zinc/22/64/11/222226411.db2.gz XKPQGKBMOBLAPY-HLLBOEOZSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247011757 222226413 /nfs/dbraw/zinc/22/64/13/222226413.db2.gz XKPQGKBMOBLAPY-HLLBOEOZSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247011757 222226418 /nfs/dbraw/zinc/22/64/18/222226418.db2.gz XKPQGKBMOBLAPY-HLLBOEOZSA-N 2 2 318.465 1.696 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247011757 222226420 /nfs/dbraw/zinc/22/64/20/222226420.db2.gz XKPQGKBMOBLAPY-HLLBOEOZSA-N 2 2 318.465 1.696 20 30 DDEDLP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H](C)C#N ZINC000248402406 222235136 /nfs/dbraw/zinc/23/51/36/222235136.db2.gz UZAVESWCWVKCMT-NVXWUHKLSA-N 2 2 316.449 1.887 20 30 DDEDLP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H](C)C#N ZINC000248402406 222235141 /nfs/dbraw/zinc/23/51/41/222235141.db2.gz UZAVESWCWVKCMT-NVXWUHKLSA-N 2 2 316.449 1.887 20 30 DDEDLP C[NH+]=C(NCc1ccnn1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958946 222264077 /nfs/dbraw/zinc/26/40/77/222264077.db2.gz JOEJRQHEECNBEY-ZFWWWQNUSA-N 2 2 315.425 1.275 20 30 DDEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264138942 222325221 /nfs/dbraw/zinc/32/52/21/222325221.db2.gz VUYHQBUFIZDCLB-ZDUSSCGKSA-N 2 2 306.410 1.397 20 30 DDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264068752 222313192 /nfs/dbraw/zinc/31/31/92/222313192.db2.gz CLZUAWMCAQIINO-GJZGRUSLSA-N 3 2 323.510 1.739 20 30 DDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264068752 222313194 /nfs/dbraw/zinc/31/31/94/222313194.db2.gz CLZUAWMCAQIINO-GJZGRUSLSA-N 3 2 323.510 1.739 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706472 418736843 /nfs/dbraw/zinc/73/68/43/418736843.db2.gz KNZGPRCIVKSTHE-SJORKVTESA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000369706472 418736845 /nfs/dbraw/zinc/73/68/45/418736845.db2.gz KNZGPRCIVKSTHE-SJORKVTESA-N 2 2 305.466 1.971 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000365651706 418889140 /nfs/dbraw/zinc/88/91/40/418889140.db2.gz XJEPHFGKUVCIIC-WBVHZDCISA-N 2 2 314.389 1.343 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000365651706 418889141 /nfs/dbraw/zinc/88/91/41/418889141.db2.gz XJEPHFGKUVCIIC-WBVHZDCISA-N 2 2 314.389 1.343 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(Cl)c(C#N)n3)C2)CC1 ZINC000372703385 418893394 /nfs/dbraw/zinc/89/33/94/418893394.db2.gz SSOJIRJMMLWFQX-GFCCVEGCSA-N 2 2 319.840 2.187 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(Cl)c(C#N)n3)C2)CC1 ZINC000372703385 418893398 /nfs/dbraw/zinc/89/33/98/418893398.db2.gz SSOJIRJMMLWFQX-GFCCVEGCSA-N 2 2 319.840 2.187 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(Cl)c(C#N)n3)C2)CC1 ZINC000372703386 418893866 /nfs/dbraw/zinc/89/38/66/418893866.db2.gz SSOJIRJMMLWFQX-LBPRGKRZSA-N 2 2 319.840 2.187 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(Cl)c(C#N)n3)C2)CC1 ZINC000372703386 418893868 /nfs/dbraw/zinc/89/38/68/418893868.db2.gz SSOJIRJMMLWFQX-LBPRGKRZSA-N 2 2 319.840 2.187 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000421330324 419569901 /nfs/dbraw/zinc/56/99/01/419569901.db2.gz XGHNKVMZELQLJL-OAHLLOKOSA-N 2 2 304.369 1.127 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000421330324 419569908 /nfs/dbraw/zinc/56/99/08/419569908.db2.gz XGHNKVMZELQLJL-OAHLLOKOSA-N 2 2 304.369 1.127 20 30 DDEDLP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000558416905 421806374 /nfs/dbraw/zinc/80/63/74/421806374.db2.gz NVVWANKIOLFQRN-UHFFFAOYSA-N 3 2 314.437 1.131 20 30 DDEDLP Cc1cc(C#N)nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367428540 267317566 /nfs/dbraw/zinc/31/75/66/267317566.db2.gz AYBTZEBTMCFMFV-ZDUSSCGKSA-N 2 2 300.410 1.237 20 30 DDEDLP Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367428540 267317569 /nfs/dbraw/zinc/31/75/69/267317569.db2.gz AYBTZEBTMCFMFV-ZDUSSCGKSA-N 2 2 300.410 1.237 20 30 DDEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(C#N)n1 ZINC000342936021 267337452 /nfs/dbraw/zinc/33/74/52/267337452.db2.gz CWJKDKCOHLQINE-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(C#N)n1 ZINC000342936021 267337457 /nfs/dbraw/zinc/33/74/57/267337457.db2.gz CWJKDKCOHLQINE-OAHLLOKOSA-N 2 2 313.449 1.866 20 30 DDEDLP C#CCNC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000491710799 275383475 /nfs/dbraw/zinc/38/34/75/275383475.db2.gz ZCJKCTSSOVMAAD-SFHVURJKSA-N 2 2 324.428 1.970 20 30 DDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000329811720 289394674 /nfs/dbraw/zinc/39/46/74/289394674.db2.gz CURKUCASUXRRFA-ZIAGYGMSSA-N 2 2 305.426 1.733 20 30 DDEDLP C[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000329811720 289394675 /nfs/dbraw/zinc/39/46/75/289394675.db2.gz CURKUCASUXRRFA-ZIAGYGMSSA-N 2 2 305.426 1.733 20 30 DDEDLP N#Cc1ccc(CN2CC[N@@H+](CCn3cc[nH+]c3)CC2=O)cc1 ZINC000367351833 307091731 /nfs/dbraw/zinc/09/17/31/307091731.db2.gz QNKCUTYEPWFRBT-UHFFFAOYSA-N 2 2 309.373 1.099 20 30 DDEDLP N#Cc1ccc(CN2CC[N@H+](CCn3cc[nH+]c3)CC2=O)cc1 ZINC000367351833 307091732 /nfs/dbraw/zinc/09/17/32/307091732.db2.gz QNKCUTYEPWFRBT-UHFFFAOYSA-N 2 2 309.373 1.099 20 30 DDEDLP C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000573315686 308236852 /nfs/dbraw/zinc/23/68/52/308236852.db2.gz RLJCBFMZSMFTSP-JQFCIGGWSA-N 2 2 312.417 1.389 20 30 DDEDLP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]1 ZINC000577482298 308391157 /nfs/dbraw/zinc/39/11/57/308391157.db2.gz RBGUMYKQRZIRCB-XYPHTWIQSA-N 2 2 312.417 1.784 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001120678404 782089500 /nfs/dbraw/zinc/08/95/00/782089500.db2.gz FWOYHIGHLMEEPO-OAHLLOKOSA-N 2 2 307.825 1.931 20 30 DDEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000343568167 534468851 /nfs/dbraw/zinc/46/88/51/534468851.db2.gz ZAWFWDUANOQZPM-HZPDHXFCSA-N 2 2 321.465 1.880 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197127 526511654 /nfs/dbraw/zinc/51/16/54/526511654.db2.gz YELHVPNGVGAMBE-UAGQMJEPSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000337197127 526511657 /nfs/dbraw/zinc/51/16/57/526511657.db2.gz YELHVPNGVGAMBE-UAGQMJEPSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000337197127 526511660 /nfs/dbraw/zinc/51/16/60/526511660.db2.gz YELHVPNGVGAMBE-UAGQMJEPSA-N 2 2 303.450 1.722 20 30 DDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000337197127 526511664 /nfs/dbraw/zinc/51/16/64/526511664.db2.gz YELHVPNGVGAMBE-UAGQMJEPSA-N 2 2 303.450 1.722 20 30 DDEDLP C#CC[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000490840853 526897018 /nfs/dbraw/zinc/89/70/18/526897018.db2.gz PVSYHWZIIVLTPW-UHFFFAOYSA-N 2 2 315.417 1.412 20 30 DDEDLP C#CC[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000490840853 526897021 /nfs/dbraw/zinc/89/70/21/526897021.db2.gz PVSYHWZIIVLTPW-UHFFFAOYSA-N 2 2 315.417 1.412 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)CC1 ZINC000491538030 526948058 /nfs/dbraw/zinc/94/80/58/526948058.db2.gz WHZBCJABRFAJAM-INIZCTEOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H]2CCOC(C)(C)C2)CC1 ZINC000491538030 526948062 /nfs/dbraw/zinc/94/80/62/526948062.db2.gz WHZBCJABRFAJAM-INIZCTEOSA-N 2 2 321.465 1.043 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000490924691 526949656 /nfs/dbraw/zinc/94/96/56/526949656.db2.gz RCOPDGBVSOXAHD-OAHLLOKOSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2c(C)noc2C)CC1 ZINC000490949475 526949888 /nfs/dbraw/zinc/94/98/88/526949888.db2.gz KPWGPMSQKDOQGO-HNNXBMFYSA-N 2 2 318.421 1.110 20 30 DDEDLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330963370 528020306 /nfs/dbraw/zinc/02/03/06/528020306.db2.gz CQHQXMVNRRNNCQ-LBPRGKRZSA-N 2 2 307.398 1.419 20 30 DDEDLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330963370 528020315 /nfs/dbraw/zinc/02/03/15/528020315.db2.gz CQHQXMVNRRNNCQ-LBPRGKRZSA-N 2 2 307.398 1.419 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208076 696708030 /nfs/dbraw/zinc/70/80/30/696708030.db2.gz MRLBGIOZTFSSSO-JYJNAYRXSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980208076 696708032 /nfs/dbraw/zinc/70/80/32/696708032.db2.gz MRLBGIOZTFSSSO-JYJNAYRXSA-N 2 2 314.433 1.203 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC000974685063 695711358 /nfs/dbraw/zinc/71/13/58/695711358.db2.gz JOFJQEATRLZONE-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC000974685063 695711361 /nfs/dbraw/zinc/71/13/61/695711361.db2.gz JOFJQEATRLZONE-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)CC1(C)C ZINC000974685063 695711362 /nfs/dbraw/zinc/71/13/62/695711362.db2.gz JOFJQEATRLZONE-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)CC1(C)C ZINC000974685063 695711363 /nfs/dbraw/zinc/71/13/63/695711363.db2.gz JOFJQEATRLZONE-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974828461 695744576 /nfs/dbraw/zinc/74/45/76/695744576.db2.gz MSVUQIFEJPZXQU-CYBMUJFWSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974828461 695744578 /nfs/dbraw/zinc/74/45/78/695744578.db2.gz MSVUQIFEJPZXQU-CYBMUJFWSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974828462 695744734 /nfs/dbraw/zinc/74/47/34/695744734.db2.gz MSVUQIFEJPZXQU-ZDUSSCGKSA-N 2 2 310.829 1.771 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974828462 695744736 /nfs/dbraw/zinc/74/47/36/695744736.db2.gz MSVUQIFEJPZXQU-ZDUSSCGKSA-N 2 2 310.829 1.771 20 30 DDEDLP C[NH+]1CCN(N=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000063353158 696327533 /nfs/dbraw/zinc/32/75/33/696327533.db2.gz DJVXEMBLWDESCE-UHFFFAOYSA-N 2 2 311.433 1.757 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980139182 696690437 /nfs/dbraw/zinc/69/04/37/696690437.db2.gz FGMRSZMIPVPONX-HRCADAONSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000980139182 696690438 /nfs/dbraw/zinc/69/04/38/696690438.db2.gz FGMRSZMIPVPONX-HRCADAONSA-N 2 2 322.412 1.798 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000981103264 697005141 /nfs/dbraw/zinc/00/51/41/697005141.db2.gz UFQZHNMBKJOFDI-HUUCEWRRSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197866 697031560 /nfs/dbraw/zinc/03/15/60/697031560.db2.gz PZXXDEREDPYWJR-HNNXBMFYSA-N 2 2 302.422 1.564 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197866 697031561 /nfs/dbraw/zinc/03/15/61/697031561.db2.gz PZXXDEREDPYWJR-HNNXBMFYSA-N 2 2 302.422 1.564 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981484712 697108822 /nfs/dbraw/zinc/10/88/22/697108822.db2.gz ZKISSUBYQOKVGG-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000981484712 697108825 /nfs/dbraw/zinc/10/88/25/697108825.db2.gz ZKISSUBYQOKVGG-HNNXBMFYSA-N 2 2 300.406 1.003 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986605546 697849974 /nfs/dbraw/zinc/84/99/74/697849974.db2.gz XYRKLKPTCQJLOP-STQMWFEESA-N 2 2 310.829 1.684 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000987341862 698090068 /nfs/dbraw/zinc/09/00/68/698090068.db2.gz MMDYQMKYDVGVPI-HIFRSBDPSA-N 2 2 309.373 1.093 20 30 DDEDLP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262022627 698451171 /nfs/dbraw/zinc/45/11/71/698451171.db2.gz ZCXPQRVOPQSWSW-LSDHHAIUSA-N 3 2 320.485 1.730 20 30 DDEDLP CCOCCCNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000303783140 698606993 /nfs/dbraw/zinc/60/69/93/698606993.db2.gz NYAZGOSOFFLULW-OAHLLOKOSA-N 2 2 310.417 1.759 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449916 699328124 /nfs/dbraw/zinc/32/81/24/699328124.db2.gz WPTMGSWKYMQLFI-QGPMSJSTSA-N 2 2 314.433 1.745 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC000991449916 699328127 /nfs/dbraw/zinc/32/81/27/699328127.db2.gz WPTMGSWKYMQLFI-QGPMSJSTSA-N 2 2 314.433 1.745 20 30 DDEDLP Cc1cccc(CN[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000755774013 700583426 /nfs/dbraw/zinc/58/34/26/700583426.db2.gz OHRXKZJHJMOOBT-UHFFFAOYSA-N 2 2 324.432 1.661 20 30 DDEDLP N#CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817919719 702522194 /nfs/dbraw/zinc/52/21/94/702522194.db2.gz UXSIOQRAVYTNOT-SJORKVTESA-N 2 2 301.390 1.446 20 30 DDEDLP CCOCCC[N@@H+]1CCC(=NNCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000848418303 703548098 /nfs/dbraw/zinc/54/80/98/703548098.db2.gz LZQCCZUNTTTZGN-MRXNPFEDSA-N 2 2 321.469 1.987 20 30 DDEDLP CCOCCC[N@H+]1CCC(=NNCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000848418303 703548099 /nfs/dbraw/zinc/54/80/99/703548099.db2.gz LZQCCZUNTTTZGN-MRXNPFEDSA-N 2 2 321.469 1.987 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823188270 705166554 /nfs/dbraw/zinc/16/65/54/705166554.db2.gz PLTTZJSKZGZNNF-LBPRGKRZSA-N 2 2 316.327 1.448 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823188270 705166556 /nfs/dbraw/zinc/16/65/56/705166556.db2.gz PLTTZJSKZGZNNF-LBPRGKRZSA-N 2 2 316.327 1.448 20 30 DDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOC2CCOCC2)cc1 ZINC000863458706 705934162 /nfs/dbraw/zinc/93/41/62/705934162.db2.gz DJZNQGWOPUKGOW-UHFFFAOYSA-N 2 2 321.421 1.581 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc(C#N)c3)C2)CC1 ZINC000865749270 706515312 /nfs/dbraw/zinc/51/53/12/706515312.db2.gz BQTFPRMFZWDSMD-CYBMUJFWSA-N 2 2 302.378 1.050 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(C#N)c3)C2)CC1 ZINC000865749270 706515315 /nfs/dbraw/zinc/51/53/15/706515315.db2.gz BQTFPRMFZWDSMD-CYBMUJFWSA-N 2 2 302.378 1.050 20 30 DDEDLP C#CCCCCCC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685144 711577154 /nfs/dbraw/zinc/57/71/54/711577154.db2.gz KLDRFSCLTQJLQH-LJQANCHMSA-N 2 2 321.509 1.956 20 30 DDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000905520298 712063008 /nfs/dbraw/zinc/06/30/08/712063008.db2.gz YZLZUNRLPHBMSU-INIZCTEOSA-N 2 2 318.421 1.309 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000923574023 714412392 /nfs/dbraw/zinc/41/23/92/714412392.db2.gz CGARYJLCRJAZFE-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000923574023 714412394 /nfs/dbraw/zinc/41/23/94/714412394.db2.gz CGARYJLCRJAZFE-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574023 714412396 /nfs/dbraw/zinc/41/23/96/714412396.db2.gz CGARYJLCRJAZFE-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000923574023 714412397 /nfs/dbraw/zinc/41/23/97/714412397.db2.gz CGARYJLCRJAZFE-FUHWJXTLSA-N 2 2 313.445 1.721 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648128 716645634 /nfs/dbraw/zinc/64/56/34/716645634.db2.gz WYMBCMSYNITGKJ-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648128 716645635 /nfs/dbraw/zinc/64/56/35/716645635.db2.gz WYMBCMSYNITGKJ-NYTXWWLZSA-N 2 2 300.406 1.068 20 30 DDEDLP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171998 716848053 /nfs/dbraw/zinc/84/80/53/716848053.db2.gz VGVKPMSHMGRQMK-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000961171998 716848058 /nfs/dbraw/zinc/84/80/58/716848058.db2.gz VGVKPMSHMGRQMK-HOTGVXAUSA-N 2 2 314.433 1.536 20 30 DDEDLP 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MHQLXGHZNLBASO-LSDHHAIUSA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085682066 759999740 /nfs/dbraw/zinc/99/97/40/759999740.db2.gz MHQLXGHZNLBASO-LSDHHAIUSA-N 2 2 314.433 1.379 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001019869227 760307382 /nfs/dbraw/zinc/30/73/82/760307382.db2.gz VHQBALNKXPIEIM-INIZCTEOSA-N 2 2 309.373 1.145 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735712 762894256 /nfs/dbraw/zinc/89/42/56/762894256.db2.gz HUOVYTNMYIUTEI-JYJNAYRXSA-N 2 2 300.406 1.266 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310804 763898408 /nfs/dbraw/zinc/89/84/08/763898408.db2.gz XXNWLYYHQQDNOK-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310804 763898419 /nfs/dbraw/zinc/89/84/19/763898419.db2.gz XXNWLYYHQQDNOK-RDJZCZTQSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310805 763898821 /nfs/dbraw/zinc/89/88/21/763898821.db2.gz XXNWLYYHQQDNOK-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310805 763898825 /nfs/dbraw/zinc/89/88/25/763898825.db2.gz XXNWLYYHQQDNOK-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042314589 763905169 /nfs/dbraw/zinc/90/51/69/763905169.db2.gz STXAKPJYZKIEHN-CABCVRRESA-N 2 2 314.433 1.633 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042314589 763905173 /nfs/dbraw/zinc/90/51/73/763905173.db2.gz STXAKPJYZKIEHN-CABCVRRESA-N 2 2 314.433 1.633 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042332951 763928587 /nfs/dbraw/zinc/92/85/87/763928587.db2.gz LSSUUKGQZBINHA-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042332951 763928593 /nfs/dbraw/zinc/92/85/93/763928593.db2.gz LSSUUKGQZBINHA-WBVHZDCISA-N 2 2 316.449 1.852 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001051256101 764678948 /nfs/dbraw/zinc/67/89/48/764678948.db2.gz VADQBOMUVPVNSV-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001051256101 764678954 /nfs/dbraw/zinc/67/89/54/764678954.db2.gz VADQBOMUVPVNSV-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256101 764678961 /nfs/dbraw/zinc/67/89/61/764678961.db2.gz VADQBOMUVPVNSV-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001051256101 764678964 /nfs/dbraw/zinc/67/89/64/764678964.db2.gz VADQBOMUVPVNSV-CVEARBPZSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001051256103 764679634 /nfs/dbraw/zinc/67/96/34/764679634.db2.gz VADQBOMUVPVNSV-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001051256103 764679640 /nfs/dbraw/zinc/67/96/40/764679640.db2.gz VADQBOMUVPVNSV-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001051256103 764679646 /nfs/dbraw/zinc/67/96/46/764679646.db2.gz VADQBOMUVPVNSV-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001051256103 764679654 /nfs/dbraw/zinc/67/96/54/764679654.db2.gz VADQBOMUVPVNSV-HZPDHXFCSA-N 2 2 309.454 1.254 20 30 DDEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007082 765130753 /nfs/dbraw/zinc/13/07/53/765130753.db2.gz LFLYLJFMMVOIJY-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007082 765130754 /nfs/dbraw/zinc/13/07/54/765130754.db2.gz LFLYLJFMMVOIJY-IAGOWNOFSA-N 2 2 323.481 1.596 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001044841929 765843419 /nfs/dbraw/zinc/84/34/19/765843419.db2.gz OOECZRWFCUGRIK-WCQYABFASA-N 2 2 310.829 1.982 20 30 DDEDLP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001047260342 768345857 /nfs/dbraw/zinc/34/58/57/768345857.db2.gz ZNUHSGXBKDSQND-INIZCTEOSA-N 2 2 314.433 1.536 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046422284 767543157 /nfs/dbraw/zinc/54/31/57/767543157.db2.gz AUKGJPGALHOYQZ-WMLDXEAASA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046422284 767543161 /nfs/dbraw/zinc/54/31/61/767543161.db2.gz AUKGJPGALHOYQZ-WMLDXEAASA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426037 767547081 /nfs/dbraw/zinc/54/70/81/767547081.db2.gz MGYZOHFDHRAMSS-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001046426037 767547085 /nfs/dbraw/zinc/54/70/85/767547085.db2.gz MGYZOHFDHRAMSS-YOEHRIQHSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434886 767562568 /nfs/dbraw/zinc/56/25/68/767562568.db2.gz TWEGJARLGNOVND-GUYCJALGSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001046434886 767562573 /nfs/dbraw/zinc/56/25/73/767562573.db2.gz TWEGJARLGNOVND-GUYCJALGSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434886 767562578 /nfs/dbraw/zinc/56/25/78/767562578.db2.gz TWEGJARLGNOVND-GUYCJALGSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001046434886 767562583 /nfs/dbraw/zinc/56/25/83/767562583.db2.gz TWEGJARLGNOVND-GUYCJALGSA-N 2 2 302.422 1.590 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435223 767564005 /nfs/dbraw/zinc/56/40/05/767564005.db2.gz ZIHDJAYZOOFMME-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001046435223 767564009 /nfs/dbraw/zinc/56/40/09/767564009.db2.gz ZIHDJAYZOOFMME-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132194887 768664934 /nfs/dbraw/zinc/66/49/34/768664934.db2.gz GJZJQIWLSXRGMD-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132194887 768664936 /nfs/dbraw/zinc/66/49/36/768664936.db2.gz GJZJQIWLSXRGMD-CABCVRRESA-N 2 2 302.422 1.345 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096345443 769299479 /nfs/dbraw/zinc/29/94/79/769299479.db2.gz YQLPFJUTNQPYSJ-XGUBFFRZSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096345443 769299485 /nfs/dbraw/zinc/29/94/85/769299485.db2.gz YQLPFJUTNQPYSJ-XGUBFFRZSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096345443 769299489 /nfs/dbraw/zinc/29/94/89/769299489.db2.gz YQLPFJUTNQPYSJ-XGUBFFRZSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096345443 769299495 /nfs/dbraw/zinc/29/94/95/769299495.db2.gz YQLPFJUTNQPYSJ-XGUBFFRZSA-N 2 2 311.857 1.802 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133194307 769578655 /nfs/dbraw/zinc/57/86/55/769578655.db2.gz CKQYJIISSKLSND-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133242325 769621599 /nfs/dbraw/zinc/62/15/99/769621599.db2.gz QNEPKZVAEWYZRH-KGLIPLIRSA-N 2 2 302.422 1.395 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071628560 769745590 /nfs/dbraw/zinc/74/55/90/769745590.db2.gz QSYQQZTYSSLXCR-KGLIPLIRSA-N 2 2 318.421 1.342 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001071628560 769745600 /nfs/dbraw/zinc/74/56/00/769745600.db2.gz QSYQQZTYSSLXCR-KGLIPLIRSA-N 2 2 318.421 1.342 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000794 770415335 /nfs/dbraw/zinc/41/53/35/770415335.db2.gz ZQXPMDJJABKIKJ-KBPBESRZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000794 770415340 /nfs/dbraw/zinc/41/53/40/770415340.db2.gz ZQXPMDJJABKIKJ-KBPBESRZSA-N 2 2 302.422 1.916 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097100469 771623686 /nfs/dbraw/zinc/62/36/86/771623686.db2.gz RLTFKYVWNGXLGX-RYPNDVFKSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097100469 771623688 /nfs/dbraw/zinc/62/36/88/771623688.db2.gz RLTFKYVWNGXLGX-RYPNDVFKSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097100469 771623690 /nfs/dbraw/zinc/62/36/90/771623690.db2.gz RLTFKYVWNGXLGX-RYPNDVFKSA-N 2 2 311.857 1.801 20 30 DDEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097100469 771623691 /nfs/dbraw/zinc/62/36/91/771623691.db2.gz RLTFKYVWNGXLGX-RYPNDVFKSA-N 2 2 311.857 1.801 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086768532 771713775 /nfs/dbraw/zinc/71/37/75/771713775.db2.gz LXEYSDLDVSZFEH-DOTOQJQBSA-N 2 2 322.412 1.994 20 30 DDEDLP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135793379 771717973 /nfs/dbraw/zinc/71/79/73/771717973.db2.gz YNPMNRDUEWFAGG-JKSUJKDBSA-N 2 2 324.428 1.877 20 30 DDEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001135853439 771752744 /nfs/dbraw/zinc/75/27/44/771752744.db2.gz XFHXCFJRHZQGFY-UONOGXRCSA-N 2 2 313.405 1.940 20 30 DDEDLP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030884 771839044 /nfs/dbraw/zinc/83/90/44/771839044.db2.gz DJPOTYSNDOVCGK-OLZOCXBDSA-N 2 2 308.426 1.336 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2c(c[nH+]1)CC(=O)N2 ZINC001171067425 772221285 /nfs/dbraw/zinc/22/12/85/772221285.db2.gz DAWZCEZQOUHIJP-LBPRGKRZSA-N 2 2 318.377 1.215 20 30 DDEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771902 774562847 /nfs/dbraw/zinc/56/28/47/774562847.db2.gz OMPPKFXTHPCGOU-LSDHHAIUSA-N 2 2 308.385 1.504 20 30 DDEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@H]21 ZINC001036771902 774562850 /nfs/dbraw/zinc/56/28/50/774562850.db2.gz OMPPKFXTHPCGOU-LSDHHAIUSA-N 2 2 308.385 1.504 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106566 774837756 /nfs/dbraw/zinc/83/77/56/774837756.db2.gz IYRWBADVMKRQGD-MRXNPFEDSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106566 774837764 /nfs/dbraw/zinc/83/77/64/774837764.db2.gz IYRWBADVMKRQGD-MRXNPFEDSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106566 774837773 /nfs/dbraw/zinc/83/77/73/774837773.db2.gz IYRWBADVMKRQGD-MRXNPFEDSA-N 2 2 316.449 1.972 20 30 DDEDLP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106566 774837783 /nfs/dbraw/zinc/83/77/83/774837783.db2.gz IYRWBADVMKRQGD-MRXNPFEDSA-N 2 2 316.449 1.972 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910349 776078561 /nfs/dbraw/zinc/07/85/61/776078561.db2.gz RXCRTFAOZVGMRD-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910349 776078571 /nfs/dbraw/zinc/07/85/71/776078571.db2.gz RXCRTFAOZVGMRD-HZPDHXFCSA-N 2 2 302.422 1.772 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595992 776361580 /nfs/dbraw/zinc/36/15/80/776361580.db2.gz IMLKLZVCSSELTC-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[NH2+]C1CC(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001101044564 776854895 /nfs/dbraw/zinc/85/48/95/776854895.db2.gz CVLMDDDJMJRLJA-PREGVCBESA-N 2 2 316.449 1.745 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CC[NH3+])C[C@H]1C#N ZINC001172967699 776946249 /nfs/dbraw/zinc/94/62/49/776946249.db2.gz ABXJJHWXCBMDQN-STQMWFEESA-N 2 2 319.409 1.848 20 30 DDEDLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC(CC#N)CC2)[C@@H]([NH3+])C1 ZINC001173329681 777114219 /nfs/dbraw/zinc/11/42/19/777114219.db2.gz LLHUHXUJVFQADB-PFSRBDOWSA-N 2 2 322.453 1.995 20 30 DDEDLP C=CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084977 777863289 /nfs/dbraw/zinc/86/32/89/777863289.db2.gz RZMMVKYLWKZJBY-UKRRQHHQSA-N 2 2 303.406 1.503 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084977 777863302 /nfs/dbraw/zinc/86/33/02/777863302.db2.gz RZMMVKYLWKZJBY-UKRRQHHQSA-N 2 2 303.406 1.503 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193321 778065045 /nfs/dbraw/zinc/06/50/45/778065045.db2.gz ZNBZKSKYVRVWAY-PMPSAXMXSA-N 2 2 300.406 1.408 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110193321 778065051 /nfs/dbraw/zinc/06/50/51/778065051.db2.gz ZNBZKSKYVRVWAY-PMPSAXMXSA-N 2 2 300.406 1.408 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103480021 778889508 /nfs/dbraw/zinc/88/95/08/778889508.db2.gz YKFZRGFUKQNVDK-IXDOHACOSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103480021 778889513 /nfs/dbraw/zinc/88/95/13/778889513.db2.gz YKFZRGFUKQNVDK-IXDOHACOSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178864551 779203239 /nfs/dbraw/zinc/20/32/39/779203239.db2.gz IZSFEZDLIBNYHE-HNNXBMFYSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517055 779393455 /nfs/dbraw/zinc/39/34/55/779393455.db2.gz MQORSSUQALYRPJ-MJBXVCDLSA-N 2 2 300.406 1.432 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826566 779501179 /nfs/dbraw/zinc/50/11/79/779501179.db2.gz PALVQOGLEMUTDH-RDJZCZTQSA-N 2 2 302.422 1.820 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826566 779501180 /nfs/dbraw/zinc/50/11/80/779501180.db2.gz PALVQOGLEMUTDH-RDJZCZTQSA-N 2 2 302.422 1.820 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3CCOCC3)cc2F)CC1 ZINC001116250894 780488821 /nfs/dbraw/zinc/48/88/21/780488821.db2.gz JIPJLEBJGWOBPE-UHFFFAOYSA-N 2 2 320.412 1.680 20 30 DDEDLP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267141605 837410116 /nfs/dbraw/zinc/41/01/16/837410116.db2.gz FZYYPGSJKWFNJB-ZBFHGGJFSA-N 2 2 309.454 1.300 20 30 DDEDLP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267141605 837410124 /nfs/dbraw/zinc/41/01/24/837410124.db2.gz FZYYPGSJKWFNJB-ZBFHGGJFSA-N 2 2 309.454 1.300 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169254 837457786 /nfs/dbraw/zinc/45/77/86/837457786.db2.gz LYZNNAHJBCWENZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267169254 837457795 /nfs/dbraw/zinc/45/77/95/837457795.db2.gz LYZNNAHJBCWENZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169254 837457802 /nfs/dbraw/zinc/45/78/02/837457802.db2.gz LYZNNAHJBCWENZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267169254 837457809 /nfs/dbraw/zinc/45/78/09/837457809.db2.gz LYZNNAHJBCWENZ-ARFHVFGLSA-N 2 2 314.433 1.897 20 30 DDEDLP C=CCOCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266857428 836947971 /nfs/dbraw/zinc/94/79/71/836947971.db2.gz MLKMIXGNYQIVEU-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266857428 836947981 /nfs/dbraw/zinc/94/79/81/836947981.db2.gz MLKMIXGNYQIVEU-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267958110 839266460 /nfs/dbraw/zinc/26/64/60/839266460.db2.gz FVGBTKSHFJHIFD-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ocnc1C ZINC001269417483 841626586 /nfs/dbraw/zinc/62/65/86/841626586.db2.gz JKEBVXADZDUTOG-GJZGRUSLSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ocnc1C ZINC001269417483 841626590 /nfs/dbraw/zinc/62/65/90/841626590.db2.gz JKEBVXADZDUTOG-GJZGRUSLSA-N 2 2 318.421 1.065 20 30 DDEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001271749525 843838678 /nfs/dbraw/zinc/83/86/78/843838678.db2.gz FACKCWQQPCEKET-MUJYYYPQSA-N 2 2 314.433 1.345 20 30 DDEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001271749525 843838688 /nfs/dbraw/zinc/83/86/88/843838688.db2.gz FACKCWQQPCEKET-MUJYYYPQSA-N 2 2 314.433 1.345 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034408416 848452345 /nfs/dbraw/zinc/45/23/45/848452345.db2.gz JVZVSZARCTXADE-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001034408416 848452350 /nfs/dbraw/zinc/45/23/50/848452350.db2.gz JVZVSZARCTXADE-RRFJBIMHSA-N 2 2 302.422 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825749 861925786 /nfs/dbraw/zinc/92/57/86/861925786.db2.gz DQGIFLAUENZLPP-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825749 861925806 /nfs/dbraw/zinc/92/58/06/861925806.db2.gz DQGIFLAUENZLPP-OAHLLOKOSA-N 2 2 306.410 1.126 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CO2 ZINC001327413518 862154978 /nfs/dbraw/zinc/15/49/78/862154978.db2.gz VCTDSQVXRCEEQO-HNNXBMFYSA-N 2 2 323.481 1.500 20 30 DDEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CO2 ZINC001327413518 862154986 /nfs/dbraw/zinc/15/49/86/862154986.db2.gz VCTDSQVXRCEEQO-HNNXBMFYSA-N 2 2 323.481 1.500 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380792 862206926 /nfs/dbraw/zinc/20/69/26/862206926.db2.gz ZVYPQNIVPHECDA-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001150380792 862206944 /nfs/dbraw/zinc/20/69/44/862206944.db2.gz ZVYPQNIVPHECDA-JKSUJKDBSA-N 2 2 320.437 1.617 20 30 DDEDLP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001276128538 854800384 /nfs/dbraw/zinc/80/03/84/854800384.db2.gz GARIQODBEPTOME-RDJZCZTQSA-N 2 2 316.449 1.541 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072734900 857651845 /nfs/dbraw/zinc/65/18/45/857651845.db2.gz URRKLJKTRHSBIT-UHFFFAOYSA-N 2 2 308.385 1.424 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001072734900 857651849 /nfs/dbraw/zinc/65/18/49/857651849.db2.gz URRKLJKTRHSBIT-UHFFFAOYSA-N 2 2 308.385 1.424 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870749 857823248 /nfs/dbraw/zinc/82/32/48/857823248.db2.gz RVSZOLZIQQZDDO-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870749 857823257 /nfs/dbraw/zinc/82/32/57/857823257.db2.gz RVSZOLZIQQZDDO-HNNXBMFYSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884216 857841074 /nfs/dbraw/zinc/84/10/74/857841074.db2.gz NQFKARCLTYBFOM-UHFFFAOYSA-N 2 2 304.394 1.070 20 30 DDEDLP C=CC[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884216 857841079 /nfs/dbraw/zinc/84/10/79/857841079.db2.gz NQFKARCLTYBFOM-UHFFFAOYSA-N 2 2 304.394 1.070 20 30 DDEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001122118518 858690162 /nfs/dbraw/zinc/69/01/62/858690162.db2.gz OBUJKEJFRYJKRU-UHFFFAOYSA-N 2 2 302.422 1.854 20 30 DDEDLP C=CC[C@@]1(C(=O)N2CCC(c3c[nH+]cn3C)CC2)CCC[NH2+]1 ZINC001122512686 858860633 /nfs/dbraw/zinc/86/06/33/858860633.db2.gz PLVXSTNKIFBVNB-KRWDZBQOSA-N 2 2 302.422 1.824 20 30 DDEDLP C=C(C)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001328875170 863302665 /nfs/dbraw/zinc/30/26/65/863302665.db2.gz AUMRNHSUHPTUGH-UHFFFAOYSA-N 2 2 303.406 1.693 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001329707056 863802619 /nfs/dbraw/zinc/80/26/19/863802619.db2.gz AONJJZFCBFTBLU-ZDUSSCGKSA-N 2 2 320.437 1.168 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083395 864396862 /nfs/dbraw/zinc/39/68/62/864396862.db2.gz UVEGYZXPHWZMOD-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083395 864396870 /nfs/dbraw/zinc/39/68/70/864396870.db2.gz UVEGYZXPHWZMOD-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083395 864396879 /nfs/dbraw/zinc/39/68/79/864396879.db2.gz UVEGYZXPHWZMOD-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083395 864396886 /nfs/dbraw/zinc/39/68/86/864396886.db2.gz UVEGYZXPHWZMOD-HIFRSBDPSA-N 2 2 316.449 1.673 20 30 DDEDLP COCC#CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062067 864399858 /nfs/dbraw/zinc/39/98/58/864399858.db2.gz PATFEZZDCARICU-UHFFFAOYSA-N 2 2 314.389 1.002 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001330622452 864492497 /nfs/dbraw/zinc/49/24/97/864492497.db2.gz PSZUMFSMUGIEHD-BZUAXINKSA-N 2 2 316.449 1.896 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001160327364 865780925 /nfs/dbraw/zinc/78/09/25/865780925.db2.gz VVSPTCNXDXOHMN-HZPDHXFCSA-N 2 2 323.400 1.681 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001160327364 865780934 /nfs/dbraw/zinc/78/09/34/865780934.db2.gz VVSPTCNXDXOHMN-HZPDHXFCSA-N 2 2 323.400 1.681 20 30 DDEDLP C=CC[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001332848953 866186554 /nfs/dbraw/zinc/18/65/54/866186554.db2.gz SYLTZIVGCUICLR-OAHLLOKOSA-N 2 2 320.437 1.042 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001323022579 866274937 /nfs/dbraw/zinc/27/49/37/866274937.db2.gz PPBUMUXNJRUAAR-GJZGRUSLSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161324041 866530759 /nfs/dbraw/zinc/53/07/59/866530759.db2.gz SHYCBBFUNHLKLI-CQSZACIVSA-N 2 2 304.438 1.885 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161324041 866530769 /nfs/dbraw/zinc/53/07/69/866530769.db2.gz SHYCBBFUNHLKLI-CQSZACIVSA-N 2 2 304.438 1.885 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161349792 866571781 /nfs/dbraw/zinc/57/17/81/866571781.db2.gz UAXLUOMRQWDGDK-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161349792 866571791 /nfs/dbraw/zinc/57/17/91/866571791.db2.gz UAXLUOMRQWDGDK-HNNXBMFYSA-N 2 2 300.406 1.606 20 30 DDEDLP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322192208 868036007 /nfs/dbraw/zinc/03/60/07/868036007.db2.gz FOHWGHOPCQKNAI-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322192208 868036016 /nfs/dbraw/zinc/03/60/16/868036016.db2.gz FOHWGHOPCQKNAI-LSDHHAIUSA-N 2 2 320.437 1.085 20 30 DDEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165835901 869727763 /nfs/dbraw/zinc/72/77/63/869727763.db2.gz KLISIYUEJDDQHK-HNNXBMFYSA-N 2 2 316.449 1.898 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165836519 869729441 /nfs/dbraw/zinc/72/94/41/869729441.db2.gz PYTSEONRQBXPKA-CQSZACIVSA-N 2 2 302.422 1.508 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340491285 871144590 /nfs/dbraw/zinc/14/45/90/871144590.db2.gz GIIOMBKCOBSYIZ-AWEZNQCLSA-N 2 2 304.442 1.373 20 30 DDEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CC)CC1 ZINC001340491285 871144598 /nfs/dbraw/zinc/14/45/98/871144598.db2.gz GIIOMBKCOBSYIZ-AWEZNQCLSA-N 2 2 304.442 1.373 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001205537258 871618158 /nfs/dbraw/zinc/61/81/58/871618158.db2.gz MBTCBCOBYRWCAL-INIZCTEOSA-N 2 2 314.433 1.297 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206319256 872207518 /nfs/dbraw/zinc/20/75/18/872207518.db2.gz BZSIUACJDUCKDA-HZPDHXFCSA-N 2 2 314.433 1.375 20 30 DDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203435 873119965 /nfs/dbraw/zinc/11/99/65/873119965.db2.gz CTVFFRKFXMQCCX-GASCZTMLSA-N 2 2 309.454 1.903 20 30 DDEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203435 873119971 /nfs/dbraw/zinc/11/99/71/873119971.db2.gz CTVFFRKFXMQCCX-GASCZTMLSA-N 2 2 309.454 1.903 20 30 DDEDLP C=CCN(CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203435 873119976 /nfs/dbraw/zinc/11/99/76/873119976.db2.gz CTVFFRKFXMQCCX-GASCZTMLSA-N 2 2 309.454 1.903 20 30 DDEDLP C=CCN(CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203435 873119978 /nfs/dbraw/zinc/11/99/78/873119978.db2.gz CTVFFRKFXMQCCX-GASCZTMLSA-N 2 2 309.454 1.903 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276549989 873659232 /nfs/dbraw/zinc/65/92/32/873659232.db2.gz YOWWFOCKXMBVDN-QGZVFWFLSA-N 2 2 309.454 1.208 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276549989 873659236 /nfs/dbraw/zinc/65/92/36/873659236.db2.gz YOWWFOCKXMBVDN-QGZVFWFLSA-N 2 2 309.454 1.208 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227164853 882886196 /nfs/dbraw/zinc/88/61/96/882886196.db2.gz HRJHBVAPTYGEBB-USXIJHARSA-N 2 2 314.433 1.486 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001220380993 878964979 /nfs/dbraw/zinc/96/49/79/878964979.db2.gz FPMQAMUTVUAKMN-QZTJIDSGSA-N 2 2 311.429 1.358 20 30 DDEDLP C#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001220380993 878964991 /nfs/dbraw/zinc/96/49/91/878964991.db2.gz FPMQAMUTVUAKMN-QZTJIDSGSA-N 2 2 311.429 1.358 20 30 DDEDLP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277228448 883118814 /nfs/dbraw/zinc/11/88/14/883118814.db2.gz VFDBXNDNJLXFQJ-GJZGRUSLSA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001374567562 913312787 /nfs/dbraw/zinc/31/27/87/913312787.db2.gz GXMGRJSKNFDRSQ-HIFRSBDPSA-N 2 2 324.856 1.980 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCF)CC1 ZINC001278207532 890149077 /nfs/dbraw/zinc/14/90/77/890149077.db2.gz SKMWZTZYTXYUMB-UHFFFAOYSA-N 2 2 306.385 1.169 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246944978 893008188 /nfs/dbraw/zinc/00/81/88/893008188.db2.gz DMDOGZMMWFXCRT-ZWKOTPCHSA-N 3 2 306.498 1.419 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001278485755 893187832 /nfs/dbraw/zinc/18/78/32/893187832.db2.gz CBTMGWGDBCNZTK-IXDOHACOSA-N 2 2 314.433 1.513 20 30 DDEDLP N#Cc1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)nc1 ZINC001247869863 893443718 /nfs/dbraw/zinc/44/37/18/893443718.db2.gz YPCFCNGONVKDFW-ZDUSSCGKSA-N 2 2 310.361 1.550 20 30 DDEDLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001390860114 900381010 /nfs/dbraw/zinc/38/10/10/900381010.db2.gz KHRHLJDXWPKDJO-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001390860114 900381020 /nfs/dbraw/zinc/38/10/20/900381020.db2.gz KHRHLJDXWPKDJO-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C#N ZINC001390860114 900381030 /nfs/dbraw/zinc/38/10/30/900381030.db2.gz KHRHLJDXWPKDJO-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C#N ZINC001390860114 900381042 /nfs/dbraw/zinc/38/10/42/900381042.db2.gz KHRHLJDXWPKDJO-MRXNPFEDSA-N 2 2 300.406 1.058 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001263820527 900734497 /nfs/dbraw/zinc/73/44/97/900734497.db2.gz ALRJRTXZQJYKPA-IRXDYDNUSA-N 2 2 305.466 1.663 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001263820527 900734505 /nfs/dbraw/zinc/73/45/05/900734505.db2.gz ALRJRTXZQJYKPA-IRXDYDNUSA-N 2 2 305.466 1.663 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001265813419 902430250 /nfs/dbraw/zinc/43/02/50/902430250.db2.gz QMCIMOUIXUJKDL-HOCLYGCPSA-N 2 2 309.454 1.300 20 30 DDEDLP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001265813419 902430255 /nfs/dbraw/zinc/43/02/55/902430255.db2.gz QMCIMOUIXUJKDL-HOCLYGCPSA-N 2 2 309.454 1.300 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280759097 903997863 /nfs/dbraw/zinc/99/78/63/903997863.db2.gz JJQJELLLXRJMFG-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001280759097 903997874 /nfs/dbraw/zinc/99/78/74/903997874.db2.gz JJQJELLLXRJMFG-AWEZNQCLSA-N 2 2 306.410 1.126 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001280930442 904202173 /nfs/dbraw/zinc/20/21/73/904202173.db2.gz WOHKCWOBROKKCC-HNNXBMFYSA-N 2 2 307.438 1.006 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001280930442 904202184 /nfs/dbraw/zinc/20/21/84/904202184.db2.gz WOHKCWOBROKKCC-HNNXBMFYSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001281552756 905018283 /nfs/dbraw/zinc/01/82/83/905018283.db2.gz KZWSEVVCYMGPPW-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001281552756 905018301 /nfs/dbraw/zinc/01/83/01/905018301.db2.gz KZWSEVVCYMGPPW-OAHLLOKOSA-N 2 2 302.422 1.513 20 30 DDEDLP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283677124 907780249 /nfs/dbraw/zinc/78/02/49/907780249.db2.gz HKBAVZIHGRSWTB-RBSFLKMASA-N 2 2 304.438 1.926 20 30 DDEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284425576 908980696 /nfs/dbraw/zinc/98/06/96/908980696.db2.gz RXEZPAYTKFFZOI-CYBMUJFWSA-N 2 2 302.378 1.162 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374034380 911695983 /nfs/dbraw/zinc/69/59/83/911695983.db2.gz BWTKLCZFYKISRE-DGCLKSJQSA-N 2 2 310.829 1.540 20 30 DDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329311499 539302943 /nfs/dbraw/zinc/30/29/43/539302943.db2.gz RDAFVIAMVACQRB-AWEZNQCLSA-N 2 2 317.437 1.502 20 30 DDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329311499 539302944 /nfs/dbraw/zinc/30/29/44/539302944.db2.gz RDAFVIAMVACQRB-AWEZNQCLSA-N 2 2 317.437 1.502 20 30 DDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCC#N)CC2)CC1 ZINC000330582921 530049841 /nfs/dbraw/zinc/04/98/41/530049841.db2.gz KFVRJTXQEYREJU-UHFFFAOYSA-N 2 2 321.469 1.742 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073436438 353252023 /nfs/dbraw/zinc/25/20/23/353252023.db2.gz UDJACZAVIJHZMI-UHFFFAOYSA-N 2 2 321.465 1.398 20 30 DDEDLP N#C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378445612 283068562 /nfs/dbraw/zinc/06/85/62/283068562.db2.gz SZBTUPJFFNNICA-KBXCAEBGSA-N 2 2 321.384 1.619 20 30 DDEDLP N#C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378445612 283068567 /nfs/dbraw/zinc/06/85/67/283068567.db2.gz SZBTUPJFFNNICA-KBXCAEBGSA-N 2 2 321.384 1.619 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905865 356699617 /nfs/dbraw/zinc/69/96/17/356699617.db2.gz HYKRWWZPQYFZJP-HZPDHXFCSA-N 2 2 324.469 1.037 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905865 356699618 /nfs/dbraw/zinc/69/96/18/356699618.db2.gz HYKRWWZPQYFZJP-HZPDHXFCSA-N 2 2 324.469 1.037 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(CC#N)c1 ZINC000596927519 357016599 /nfs/dbraw/zinc/01/65/99/357016599.db2.gz CUDLBLCUAGWVJY-UHFFFAOYSA-N 2 2 317.437 1.758 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(CC#N)c1 ZINC000596927519 357016603 /nfs/dbraw/zinc/01/66/03/357016603.db2.gz CUDLBLCUAGWVJY-UHFFFAOYSA-N 2 2 317.437 1.758 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000600715548 358292789 /nfs/dbraw/zinc/29/27/89/358292789.db2.gz GXRVIUYZRSKTRF-KRWDZBQOSA-N 2 2 314.433 1.690 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000602675956 359119415 /nfs/dbraw/zinc/11/94/15/359119415.db2.gz XODLWEGESUJACS-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000602675956 359119418 /nfs/dbraw/zinc/11/94/18/359119418.db2.gz XODLWEGESUJACS-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910588 359701159 /nfs/dbraw/zinc/70/11/59/359701159.db2.gz VCZUHSPGNRLNDS-PMPSAXMXSA-N 2 2 312.417 1.473 20 30 DDEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611315461 360697907 /nfs/dbraw/zinc/69/79/07/360697907.db2.gz QQAAKFPSZZVJBX-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611315461 360697913 /nfs/dbraw/zinc/69/79/13/360697913.db2.gz QQAAKFPSZZVJBX-CQSZACIVSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414912 223205256 /nfs/dbraw/zinc/20/52/56/223205256.db2.gz AAXWAFYQQMDAOI-ZFWWWQNUSA-N 2 2 319.453 1.098 20 30 DDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331414912 223205259 /nfs/dbraw/zinc/20/52/59/223205259.db2.gz AAXWAFYQQMDAOI-ZFWWWQNUSA-N 2 2 319.453 1.098 20 30 DDEDLP COC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271845488 209263011 /nfs/dbraw/zinc/26/30/11/209263011.db2.gz HNTMRYGDTLKRAA-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000156789863 197139913 /nfs/dbraw/zinc/13/99/13/197139913.db2.gz JAVRVGMDSUKDEW-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000156789863 197139915 /nfs/dbraw/zinc/13/99/15/197139915.db2.gz JAVRVGMDSUKDEW-QGZVFWFLSA-N 2 2 316.424 1.909 20 30 DDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000267154161 407768928 /nfs/dbraw/zinc/76/89/28/407768928.db2.gz DEAKOIIMOLMZGA-UHFFFAOYSA-N 2 2 317.393 1.904 20 30 DDEDLP C=C(C)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181294563 407975549 /nfs/dbraw/zinc/97/55/49/407975549.db2.gz NMELKBMCQZDTFL-UHFFFAOYSA-N 2 2 302.422 1.628 20 30 DDEDLP C=C(C)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181294563 407975557 /nfs/dbraw/zinc/97/55/57/407975557.db2.gz NMELKBMCQZDTFL-UHFFFAOYSA-N 2 2 302.422 1.628 20 30 DDEDLP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000273331076 408154430 /nfs/dbraw/zinc/15/44/30/408154430.db2.gz JMDQMIPENCMRBR-HNNXBMFYSA-N 2 2 315.465 1.606 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297475372 409915960 /nfs/dbraw/zinc/91/59/60/409915960.db2.gz LYCVFECHOCZPAC-CQSZACIVSA-N 2 2 303.410 1.254 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297475372 409915966 /nfs/dbraw/zinc/91/59/66/409915966.db2.gz LYCVFECHOCZPAC-CQSZACIVSA-N 2 2 303.410 1.254 20 30 DDEDLP Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C#N)c[nH+]1 ZINC000333563395 410582465 /nfs/dbraw/zinc/58/24/65/410582465.db2.gz LHBOXVSIXSJKJM-WBVHZDCISA-N 2 2 300.406 1.984 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355733436 410665408 /nfs/dbraw/zinc/66/54/08/410665408.db2.gz KVNQFWQDUVPKTR-INMHGKMJSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000355733436 410665413 /nfs/dbraw/zinc/66/54/13/410665413.db2.gz KVNQFWQDUVPKTR-INMHGKMJSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355733436 410665418 /nfs/dbraw/zinc/66/54/18/410665418.db2.gz KVNQFWQDUVPKTR-INMHGKMJSA-N 2 2 308.470 1.703 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355733436 410665421 /nfs/dbraw/zinc/66/54/21/410665421.db2.gz KVNQFWQDUVPKTR-INMHGKMJSA-N 2 2 308.470 1.703 20 30 DDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000355742848 410672058 /nfs/dbraw/zinc/67/20/58/410672058.db2.gz XFGNCZLUJBKYKZ-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000355742848 410672062 /nfs/dbraw/zinc/67/20/62/410672062.db2.gz XFGNCZLUJBKYKZ-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000355742848 410672067 /nfs/dbraw/zinc/67/20/67/410672067.db2.gz XFGNCZLUJBKYKZ-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355742848 410672071 /nfs/dbraw/zinc/67/20/71/410672071.db2.gz XFGNCZLUJBKYKZ-KRWDZBQOSA-N 2 2 314.433 1.448 20 30 DDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000366115833 418429324 /nfs/dbraw/zinc/42/93/24/418429324.db2.gz UXPVXIWVZAHEGM-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000366115833 418429327 /nfs/dbraw/zinc/42/93/27/418429327.db2.gz UXPVXIWVZAHEGM-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP C#C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000366999670 418549565 /nfs/dbraw/zinc/54/95/65/418549565.db2.gz XVHAZDQATVHYDW-KRWDZBQOSA-N 2 2 320.481 1.502 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246219796 222221171 /nfs/dbraw/zinc/22/11/71/222221171.db2.gz QINJNALLLXMGOH-HOTGVXAUSA-N 2 2 306.454 1.412 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246219796 222221174 /nfs/dbraw/zinc/22/11/74/222221174.db2.gz QINJNALLLXMGOH-HOTGVXAUSA-N 2 2 306.454 1.412 20 30 DDEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328597726 418606019 /nfs/dbraw/zinc/60/60/19/418606019.db2.gz ALGVVLCQMARGJW-KFWWJZLASA-N 2 2 319.453 1.993 20 30 DDEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328597726 418606023 /nfs/dbraw/zinc/60/60/23/418606023.db2.gz ALGVVLCQMARGJW-KFWWJZLASA-N 2 2 319.453 1.993 20 30 DDEDLP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262001751 222269317 /nfs/dbraw/zinc/26/93/17/222269317.db2.gz ULWYWRBXBJDURI-LSDHHAIUSA-N 2 2 319.453 1.647 20 30 DDEDLP CC(C)Oc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+](C)C)cc1 ZINC000262288393 222274699 /nfs/dbraw/zinc/27/46/99/222274699.db2.gz GFXQAWUVNWWPOR-MRXNPFEDSA-N 2 2 304.438 1.968 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264057335 222311606 /nfs/dbraw/zinc/31/16/06/222311606.db2.gz OFUVLLXSRNHPJL-MRXNPFEDSA-N 2 2 302.422 1.215 20 30 DDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264057335 222311607 /nfs/dbraw/zinc/31/16/07/222311607.db2.gz OFUVLLXSRNHPJL-MRXNPFEDSA-N 2 2 302.422 1.215 20 30 DDEDLP C(#CC[N@@H+]1CCOC2(CCC2)C1)C[NH+]1CCOC2(CCC2)C1 ZINC000377403210 418709421 /nfs/dbraw/zinc/70/94/21/418709421.db2.gz WBVLPECWHZLNCP-UHFFFAOYSA-N 2 2 304.434 1.500 20 30 DDEDLP C(#CC[N@H+]1CCOC2(CCC2)C1)C[NH+]1CCOC2(CCC2)C1 ZINC000377403210 418709422 /nfs/dbraw/zinc/70/94/22/418709422.db2.gz WBVLPECWHZLNCP-UHFFFAOYSA-N 2 2 304.434 1.500 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377493568 418710911 /nfs/dbraw/zinc/71/09/11/418710911.db2.gz GVVWJXXXMSMFDF-HUUCEWRRSA-N 2 2 302.422 1.685 20 30 DDEDLP CCC[NH+]1CCN(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000377661289 418712993 /nfs/dbraw/zinc/71/29/93/418712993.db2.gz DWPBGLDJGOYPGD-QGZVFWFLSA-N 2 2 317.481 1.922 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371291867 418775639 /nfs/dbraw/zinc/77/56/39/418775639.db2.gz ACLKQGFSTASJRR-YESZJQIVSA-N 2 2 321.465 1.371 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371291867 418775643 /nfs/dbraw/zinc/77/56/43/418775643.db2.gz ACLKQGFSTASJRR-YESZJQIVSA-N 2 2 321.465 1.371 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000424127376 228230943 /nfs/dbraw/zinc/23/09/43/228230943.db2.gz CTLAVKFNKTYAHT-INIZCTEOSA-N 2 2 311.389 1.569 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000424137701 228233694 /nfs/dbraw/zinc/23/36/94/228233694.db2.gz SKSKWCAOJSOQHQ-LBPRGKRZSA-N 2 2 305.769 1.625 20 30 DDEDLP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c(C#N)c[nH+]1 ZINC000425236429 228396480 /nfs/dbraw/zinc/39/64/80/228396480.db2.gz QCSFMIAQWGUBBV-UHFFFAOYSA-N 2 2 302.422 1.985 20 30 DDEDLP Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425242933 228397870 /nfs/dbraw/zinc/39/78/70/228397870.db2.gz SJOFNVSDUHQCDF-GASCZTMLSA-N 2 2 302.422 1.985 20 30 DDEDLP Cc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425242933 228397872 /nfs/dbraw/zinc/39/78/72/228397872.db2.gz SJOFNVSDUHQCDF-GASCZTMLSA-N 2 2 302.422 1.985 20 30 DDEDLP Cc1nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488103718 421070532 /nfs/dbraw/zinc/07/05/32/421070532.db2.gz ZAASKWFKGVJRIC-AWEZNQCLSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1nc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488103718 421070534 /nfs/dbraw/zinc/07/05/34/421070534.db2.gz ZAASKWFKGVJRIC-AWEZNQCLSA-N 2 2 313.449 1.866 20 30 DDEDLP N#Cc1cnn2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cnc12 ZINC000563149244 421463448 /nfs/dbraw/zinc/46/34/48/421463448.db2.gz HINQKLMDCHDIKT-UHFFFAOYSA-N 2 2 307.361 1.424 20 30 DDEDLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000566117776 421603142 /nfs/dbraw/zinc/60/31/42/421603142.db2.gz XHMWPJUHZOBQMN-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000566117776 421603143 /nfs/dbraw/zinc/60/31/43/421603143.db2.gz XHMWPJUHZOBQMN-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@H+](C)CCC#N ZINC000566117776 421603145 /nfs/dbraw/zinc/60/31/45/421603145.db2.gz XHMWPJUHZOBQMN-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)C[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000566117776 421603149 /nfs/dbraw/zinc/60/31/49/421603149.db2.gz XHMWPJUHZOBQMN-IAGOWNOFSA-N 2 2 310.486 1.293 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535315400 421703918 /nfs/dbraw/zinc/70/39/18/421703918.db2.gz VVCNIKVNVZPRHT-XJKSGUPXSA-N 2 2 303.410 1.264 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535315400 421703920 /nfs/dbraw/zinc/70/39/20/421703920.db2.gz VVCNIKVNVZPRHT-XJKSGUPXSA-N 2 2 303.410 1.264 20 30 DDEDLP C=CC[C@@H](CO)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574323903 422091922 /nfs/dbraw/zinc/09/19/22/422091922.db2.gz OBFGKAQAPZKVPK-HZPDHXFCSA-N 2 2 317.433 1.788 20 30 DDEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789098 423986091 /nfs/dbraw/zinc/98/60/91/423986091.db2.gz YPPRXCNOAFKABQ-KSZLIROESA-N 2 2 309.498 1.973 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153682 424442825 /nfs/dbraw/zinc/44/28/25/424442825.db2.gz CCBOUZCMGGSFNA-DOTOQJQBSA-N 2 2 323.481 1.331 20 30 DDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153682 424442833 /nfs/dbraw/zinc/44/28/33/424442833.db2.gz CCBOUZCMGGSFNA-DOTOQJQBSA-N 2 2 323.481 1.331 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339174028 289234793 /nfs/dbraw/zinc/23/47/93/289234793.db2.gz NNDNDXWBGOUNMV-DJIMGWMZSA-N 2 2 320.481 1.942 20 30 DDEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339174028 289234797 /nfs/dbraw/zinc/23/47/97/289234797.db2.gz NNDNDXWBGOUNMV-DJIMGWMZSA-N 2 2 320.481 1.942 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001120678403 782089423 /nfs/dbraw/zinc/08/94/23/782089423.db2.gz FWOYHIGHLMEEPO-HNNXBMFYSA-N 2 2 307.825 1.931 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000681517979 486440354 /nfs/dbraw/zinc/44/03/54/486440354.db2.gz NQHVGAVEUHVVHR-ZDUSSCGKSA-N 2 2 302.422 1.590 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000681517979 486440357 /nfs/dbraw/zinc/44/03/57/486440357.db2.gz NQHVGAVEUHVVHR-ZDUSSCGKSA-N 2 2 302.422 1.590 20 30 DDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000570292703 517811967 /nfs/dbraw/zinc/81/19/67/517811967.db2.gz UNPKLEMPLQCIDT-CQSZACIVSA-N 2 2 304.394 1.206 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000490761834 526918605 /nfs/dbraw/zinc/91/86/05/526918605.db2.gz XGDQSPJAYIMYCA-UHFFFAOYSA-N 2 2 300.406 1.461 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000490761834 526918611 /nfs/dbraw/zinc/91/86/11/526918611.db2.gz XGDQSPJAYIMYCA-UHFFFAOYSA-N 2 2 300.406 1.461 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000490915559 526950277 /nfs/dbraw/zinc/95/02/77/526950277.db2.gz NZAXUHKNZZCRBU-OAHLLOKOSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2SCC)CC1 ZINC000490719976 526952141 /nfs/dbraw/zinc/95/21/41/526952141.db2.gz PIGAKKLXFBEFGR-HOTGVXAUSA-N 2 2 323.506 1.418 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000491747723 526984194 /nfs/dbraw/zinc/98/41/94/526984194.db2.gz NKXSKOKHBJNNEH-QGZVFWFLSA-N 2 2 301.434 1.581 20 30 DDEDLP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330305884 527730553 /nfs/dbraw/zinc/73/05/53/527730553.db2.gz QZSPQHNZICNDKY-AWEZNQCLSA-N 2 2 305.426 1.574 20 30 DDEDLP CC(C)[NH2+]C1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330305884 527730559 /nfs/dbraw/zinc/73/05/59/527730559.db2.gz QZSPQHNZICNDKY-AWEZNQCLSA-N 2 2 305.426 1.574 20 30 DDEDLP CCCCNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330949924 528019494 /nfs/dbraw/zinc/01/94/94/528019494.db2.gz ODRKICMNVZKYST-UHFFFAOYSA-N 2 2 307.398 1.419 20 30 DDEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613861 695299203 /nfs/dbraw/zinc/29/92/03/695299203.db2.gz CUZLKERBWIVRIJ-INIZCTEOSA-N 2 2 323.400 1.557 20 30 DDEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972613861 695299205 /nfs/dbraw/zinc/29/92/05/695299205.db2.gz CUZLKERBWIVRIJ-INIZCTEOSA-N 2 2 323.400 1.557 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC000974682994 695711148 /nfs/dbraw/zinc/71/11/48/695711148.db2.gz AHRVIULHJZUELI-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC000974682994 695711150 /nfs/dbraw/zinc/71/11/50/695711150.db2.gz AHRVIULHJZUELI-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)CC1(C)C ZINC000974682994 695711151 /nfs/dbraw/zinc/71/11/51/695711151.db2.gz AHRVIULHJZUELI-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)CC1(C)C ZINC000974682994 695711154 /nfs/dbraw/zinc/71/11/54/695711154.db2.gz AHRVIULHJZUELI-DLBZAZTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956408 695766309 /nfs/dbraw/zinc/76/63/09/695766309.db2.gz PEPCZDCXOSEJOC-HOCLYGCPSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956408 695766311 /nfs/dbraw/zinc/76/63/11/695766311.db2.gz PEPCZDCXOSEJOC-HOCLYGCPSA-N 2 2 314.433 1.214 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101645 695795184 /nfs/dbraw/zinc/79/51/84/695795184.db2.gz MSZVGAUHEUJYSM-CQSZACIVSA-N 2 2 302.422 1.466 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975101645 695795185 /nfs/dbraw/zinc/79/51/85/695795185.db2.gz MSZVGAUHEUJYSM-CQSZACIVSA-N 2 2 302.422 1.466 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449678 696167801 /nfs/dbraw/zinc/16/78/01/696167801.db2.gz CGDPBOWEGKFRNS-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449678 696167802 /nfs/dbraw/zinc/16/78/02/696167802.db2.gz CGDPBOWEGKFRNS-OAHLLOKOSA-N 2 2 304.438 1.755 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183703 696702642 /nfs/dbraw/zinc/70/26/42/696702642.db2.gz PJUGZXCBJMHBID-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183703 696702644 /nfs/dbraw/zinc/70/26/44/696702644.db2.gz PJUGZXCBJMHBID-RRFJBIMHSA-N 2 2 302.422 1.745 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183283 696702866 /nfs/dbraw/zinc/70/28/66/696702866.db2.gz NXHOCWGCISCVCP-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183283 696702869 /nfs/dbraw/zinc/70/28/69/696702869.db2.gz NXHOCWGCISCVCP-RRFJBIMHSA-N 2 2 300.406 1.192 20 30 DDEDLP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982037004 697010856 /nfs/dbraw/zinc/01/08/56/697010856.db2.gz XPJKLGPQXAOOQD-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982037004 697010858 /nfs/dbraw/zinc/01/08/58/697010858.db2.gz XPJKLGPQXAOOQD-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061382 697018649 /nfs/dbraw/zinc/01/86/49/697018649.db2.gz RVSYYLMDTPNOTM-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000982061382 697018652 /nfs/dbraw/zinc/01/86/52/697018652.db2.gz RVSYYLMDTPNOTM-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061382 697018655 /nfs/dbraw/zinc/01/86/55/697018655.db2.gz RVSYYLMDTPNOTM-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982061382 697018658 /nfs/dbraw/zinc/01/86/58/697018658.db2.gz RVSYYLMDTPNOTM-OAHLLOKOSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772433 697177916 /nfs/dbraw/zinc/17/79/16/697177916.db2.gz KLYZLQFKVVXAEL-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772433 697177917 /nfs/dbraw/zinc/17/79/17/697177917.db2.gz KLYZLQFKVVXAEL-HDICACEKSA-N 2 2 314.433 1.156 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776216200 698081842 /nfs/dbraw/zinc/08/18/42/698081842.db2.gz PANJMWBYZSPTNC-JYJNAYRXSA-N 2 2 321.490 1.122 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776216200 698081846 /nfs/dbraw/zinc/08/18/46/698081846.db2.gz PANJMWBYZSPTNC-JYJNAYRXSA-N 2 2 321.490 1.122 20 30 DDEDLP C[C@H]1CN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000262471618 698471123 /nfs/dbraw/zinc/47/11/23/698471123.db2.gz PCMVRVASWFBBPD-GJZGRUSLSA-N 2 2 320.437 1.842 20 30 DDEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000989239586 698563614 /nfs/dbraw/zinc/56/36/14/698563614.db2.gz XYOSEGYKRRSADA-GOEBONIOSA-N 2 2 308.385 1.698 20 30 DDEDLP Cc1cccn2cc(CCNC(=[NH2+])N3CCSCC3)[nH+]c12 ZINC000304469230 698621165 /nfs/dbraw/zinc/62/11/65/698621165.db2.gz CTZURFHFDUVEMI-UHFFFAOYSA-N 2 2 303.435 1.549 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990106754 698955544 /nfs/dbraw/zinc/95/55/44/698955544.db2.gz JKWIWAXZTILOOC-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990106754 698955546 /nfs/dbraw/zinc/95/55/46/698955546.db2.gz JKWIWAXZTILOOC-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990106754 698955547 /nfs/dbraw/zinc/95/55/47/698955547.db2.gz JKWIWAXZTILOOC-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990106754 698955550 /nfs/dbraw/zinc/95/55/50/698955550.db2.gz JKWIWAXZTILOOC-YQQAZPJKSA-N 2 2 307.438 1.006 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000756558515 700628176 /nfs/dbraw/zinc/62/81/76/700628176.db2.gz MGMZDKFJTMONJY-ZDUSSCGKSA-N 2 2 319.371 1.475 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000756558515 700628178 /nfs/dbraw/zinc/62/81/78/700628178.db2.gz MGMZDKFJTMONJY-ZDUSSCGKSA-N 2 2 319.371 1.475 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(F)(F)F ZINC000756558515 700628180 /nfs/dbraw/zinc/62/81/80/700628180.db2.gz MGMZDKFJTMONJY-ZDUSSCGKSA-N 2 2 319.371 1.475 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(F)(F)F ZINC000756558515 700628181 /nfs/dbraw/zinc/62/81/81/700628181.db2.gz MGMZDKFJTMONJY-ZDUSSCGKSA-N 2 2 319.371 1.475 20 30 DDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000764614275 700978875 /nfs/dbraw/zinc/97/88/75/700978875.db2.gz VMBVVOAWSVKTIV-UHFFFAOYSA-N 2 2 303.406 1.154 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708524 704103728 /nfs/dbraw/zinc/10/37/28/704103728.db2.gz CUZDDYPCJUMMJR-ZWKOTPCHSA-N 2 2 315.417 1.123 20 30 DDEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852708524 704103730 /nfs/dbraw/zinc/10/37/30/704103730.db2.gz CUZDDYPCJUMMJR-ZWKOTPCHSA-N 2 2 315.417 1.123 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858224815 704681460 /nfs/dbraw/zinc/68/14/60/704681460.db2.gz SWNBXONVLNJMCS-INIZCTEOSA-N 2 2 315.417 1.128 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858224815 704681462 /nfs/dbraw/zinc/68/14/62/704681462.db2.gz SWNBXONVLNJMCS-INIZCTEOSA-N 2 2 315.417 1.128 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000876873714 705900888 /nfs/dbraw/zinc/90/08/88/705900888.db2.gz OONKLPCBNBBCML-CABCVRRESA-N 2 2 307.825 1.972 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000876873714 705900893 /nfs/dbraw/zinc/90/08/93/705900893.db2.gz OONKLPCBNBBCML-CABCVRRESA-N 2 2 307.825 1.972 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026296 709193651 /nfs/dbraw/zinc/19/36/51/709193651.db2.gz VCJFARZTLYIXEJ-GDBMZVCRSA-N 2 2 317.437 1.224 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000888026296 709193653 /nfs/dbraw/zinc/19/36/53/709193653.db2.gz VCJFARZTLYIXEJ-GDBMZVCRSA-N 2 2 317.437 1.224 20 30 DDEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896326052 711706776 /nfs/dbraw/zinc/70/67/76/711706776.db2.gz WHGPTLFHZWFGDB-KRWDZBQOSA-N 2 2 311.429 1.566 20 30 DDEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896326052 711706778 /nfs/dbraw/zinc/70/67/78/711706778.db2.gz WHGPTLFHZWFGDB-KRWDZBQOSA-N 2 2 311.429 1.566 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000922286242 714012310 /nfs/dbraw/zinc/01/23/10/714012310.db2.gz IFULPJIISSVJPF-KRWDZBQOSA-N 2 2 314.433 1.605 20 30 DDEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000922286242 714012313 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DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560039 714403507 /nfs/dbraw/zinc/40/35/07/714403507.db2.gz XTKFELRPCBZGBF-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000923560039 714403508 /nfs/dbraw/zinc/40/35/08/714403508.db2.gz XTKFELRPCBZGBF-YOEHRIQHSA-N 2 2 309.429 1.413 20 30 DDEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627153 716636940 /nfs/dbraw/zinc/63/69/40/716636940.db2.gz ABUVPMRTUHBTOI-ARLBYUKCSA-N 2 2 300.406 1.068 20 30 DDEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627153 716636944 /nfs/dbraw/zinc/63/69/44/716636944.db2.gz ABUVPMRTUHBTOI-ARLBYUKCSA-N 2 2 300.406 1.068 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941187085 717125734 /nfs/dbraw/zinc/12/57/34/717125734.db2.gz VJPFXNMCAPSUHX-HNNXBMFYSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 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CYCMEEKAKLIQMH-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000968919481 719868597 /nfs/dbraw/zinc/86/85/97/719868597.db2.gz CYCMEEKAKLIQMH-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000969519971 720172197 /nfs/dbraw/zinc/17/21/97/720172197.db2.gz ZRXNSHDCCLPAIK-QGZVFWFLSA-N 2 2 323.400 1.536 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969676538 720246759 /nfs/dbraw/zinc/24/67/59/720246759.db2.gz FXKQXUTZVRCLQY-DOMZBBRYSA-N 2 2 311.857 1.517 20 30 DDEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000949904459 720410437 /nfs/dbraw/zinc/41/04/37/720410437.db2.gz NUJZOZQBGCYOLZ-HNNXBMFYSA-N 2 2 302.422 1.474 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000970815253 720945665 /nfs/dbraw/zinc/94/56/65/720945665.db2.gz CYDAZTKQCXOUJP-HUUCEWRRSA-N 2 2 322.840 1.627 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971576652 721362612 /nfs/dbraw/zinc/36/26/12/721362612.db2.gz TXVQQCNKOAIMTF-OAHLLOKOSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971576652 721362615 /nfs/dbraw/zinc/36/26/15/721362615.db2.gz TXVQQCNKOAIMTF-OAHLLOKOSA-N 2 2 302.422 1.481 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027570724 738418116 /nfs/dbraw/zinc/41/81/16/738418116.db2.gz BCJXWPHDZSDUOG-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001027570724 738418119 /nfs/dbraw/zinc/41/81/19/738418119.db2.gz BCJXWPHDZSDUOG-ZIAGYGMSSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001027696458 738559760 /nfs/dbraw/zinc/55/97/60/738559760.db2.gz OOVBDHBLBCCNNQ-IAGOWNOFSA-N 2 2 316.449 1.793 20 30 DDEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 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DWHVISOZWKHKCZ-BZUAXINKSA-N 2 2 314.433 1.153 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773699 735884611 /nfs/dbraw/zinc/88/46/11/735884611.db2.gz KNMZOQKJDQRYJL-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773699 735884615 /nfs/dbraw/zinc/88/46/15/735884615.db2.gz KNMZOQKJDQRYJL-YOEHRIQHSA-N 2 2 300.406 1.336 20 30 DDEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027980979 738902699 /nfs/dbraw/zinc/90/26/99/738902699.db2.gz HSWOQMITWIBLRG-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027980979 738902700 /nfs/dbraw/zinc/90/27/00/738902700.db2.gz HSWOQMITWIBLRG-GJZGRUSLSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300242 736415155 /nfs/dbraw/zinc/41/51/55/736415155.db2.gz AJKJYUQRBJMFAG-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025300242 736415157 /nfs/dbraw/zinc/41/51/57/736415157.db2.gz AJKJYUQRBJMFAG-IAGOWNOFSA-N 2 2 314.433 1.752 20 30 DDEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]12 ZINC001026311938 737333085 /nfs/dbraw/zinc/33/30/85/737333085.db2.gz NNBZRRRKAOTPIQ-RBSFLKMASA-N 2 2 308.385 1.408 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980426 738904125 /nfs/dbraw/zinc/90/41/25/738904125.db2.gz RTMKENDUQXGKGO-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001027980426 738904126 /nfs/dbraw/zinc/90/41/26/738904126.db2.gz RTMKENDUQXGKGO-LSDHHAIUSA-N 2 2 314.433 1.427 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584393 751404262 /nfs/dbraw/zinc/40/42/62/751404262.db2.gz XDTKKKRCZNIKCQ-BZSNNMDCSA-N 2 2 315.461 1.702 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 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2 308.385 1.700 20 30 DDEDLP N#Cc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c2ccccc12 ZINC001211755225 739439263 /nfs/dbraw/zinc/43/92/63/739439263.db2.gz CDLVUIBJTUVOER-GJZGRUSLSA-N 2 2 305.341 1.776 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028813596 740072564 /nfs/dbraw/zinc/07/25/64/740072564.db2.gz JERDWNQESZKMRT-BFHYXJOUSA-N 2 2 322.840 1.714 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028813596 740072566 /nfs/dbraw/zinc/07/25/66/740072566.db2.gz JERDWNQESZKMRT-BFHYXJOUSA-N 2 2 322.840 1.714 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629454 740683075 /nfs/dbraw/zinc/68/30/75/740683075.db2.gz QOZZIGDGMCXYLT-SOUVJXGZSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001087629454 740683079 /nfs/dbraw/zinc/68/30/79/740683079.db2.gz QOZZIGDGMCXYLT-SOUVJXGZSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183725 741097782 /nfs/dbraw/zinc/09/77/82/741097782.db2.gz SUHBCCWGUGBBGU-CABCVRRESA-N 2 2 300.406 1.064 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001088420331 741480684 /nfs/dbraw/zinc/48/06/84/741480684.db2.gz NJVYWCLBFZZEGU-HNNXBMFYSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657133 742057212 /nfs/dbraw/zinc/05/72/12/742057212.db2.gz SXCROIROMPVUFV-CABCVRRESA-N 2 2 302.422 1.529 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1C ZINC001088657133 742057217 /nfs/dbraw/zinc/05/72/17/742057217.db2.gz SXCROIROMPVUFV-CABCVRRESA-N 2 2 302.422 1.529 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976340 742299949 /nfs/dbraw/zinc/29/99/49/742299949.db2.gz WUWDWVMHHJPIEX-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976340 742299951 /nfs/dbraw/zinc/29/99/51/742299951.db2.gz WUWDWVMHHJPIEX-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976215 742300048 /nfs/dbraw/zinc/30/00/48/742300048.db2.gz PEFCOAHMEWDYRB-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976215 742300053 /nfs/dbraw/zinc/30/00/53/742300053.db2.gz PEFCOAHMEWDYRB-XJKSGUPXSA-N 2 2 318.421 1.459 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032629087 751722757 /nfs/dbraw/zinc/72/27/57/751722757.db2.gz SXYLGOGKZBYXRM-GRDNDAEWSA-N 2 2 309.429 1.670 20 30 DDEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032629087 751722760 /nfs/dbraw/zinc/72/27/60/751722760.db2.gz SXYLGOGKZBYXRM-GRDNDAEWSA-N 2 2 309.429 1.670 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032629087 751722762 /nfs/dbraw/zinc/72/27/62/751722762.db2.gz SXYLGOGKZBYXRM-GRDNDAEWSA-N 2 2 309.429 1.670 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032629087 751722766 /nfs/dbraw/zinc/72/27/66/751722766.db2.gz SXYLGOGKZBYXRM-GRDNDAEWSA-N 2 2 309.429 1.670 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533391 743691802 /nfs/dbraw/zinc/69/18/02/743691802.db2.gz HCQWHXVJOCPJRG-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533391 743691806 /nfs/dbraw/zinc/69/18/06/743691806.db2.gz HCQWHXVJOCPJRG-CQSZACIVSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@H](C)CC)C1 ZINC001030031441 743740892 /nfs/dbraw/zinc/74/08/92/743740892.db2.gz FCQKWFXPCOYCGX-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001030031441 743740894 /nfs/dbraw/zinc/74/08/94/743740894.db2.gz FCQKWFXPCOYCGX-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001030031441 743740895 /nfs/dbraw/zinc/74/08/95/743740895.db2.gz FCQKWFXPCOYCGX-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001030031441 743740898 /nfs/dbraw/zinc/74/08/98/743740898.db2.gz FCQKWFXPCOYCGX-IKGGRYGDSA-N 2 2 305.466 1.711 20 30 DDEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183175935 743790198 /nfs/dbraw/zinc/79/01/98/743790198.db2.gz HQXDULBBFNJYTH-CXAGYDPISA-N 2 2 302.422 1.395 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184273225 743997781 /nfs/dbraw/zinc/99/77/81/743997781.db2.gz JXQOQXQICAIJEL-LSDHHAIUSA-N 2 2 302.422 1.440 20 30 DDEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184798720 744102472 /nfs/dbraw/zinc/10/24/72/744102472.db2.gz JQRQLXBPBPCXQI-HUUCEWRRSA-N 2 2 310.401 1.655 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088985556 744429473 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ZJBYMWNMHDARRG-DOTOQJQBSA-N 2 2 302.422 1.950 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009739 745402976 /nfs/dbraw/zinc/40/29/76/745402976.db2.gz IGMBODJRVZRFJW-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001191009739 745402977 /nfs/dbraw/zinc/40/29/77/745402977.db2.gz IGMBODJRVZRFJW-CABCVRRESA-N 2 2 302.422 1.554 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191020543 745407308 /nfs/dbraw/zinc/40/73/08/745407308.db2.gz XQKUDTLBRZHQDR-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001191020543 745407311 /nfs/dbraw/zinc/40/73/11/745407311.db2.gz XQKUDTLBRZHQDR-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191020543 745407316 /nfs/dbraw/zinc/40/73/16/745407316.db2.gz XQKUDTLBRZHQDR-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001191020543 745407320 /nfs/dbraw/zinc/40/73/20/745407320.db2.gz XQKUDTLBRZHQDR-CABCVRRESA-N 2 2 314.433 1.379 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655708 745877844 /nfs/dbraw/zinc/87/78/44/745877844.db2.gz ZUORTRFJOWBNBU-KFWWJZLASA-N 2 2 314.433 1.537 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993490367 746190364 /nfs/dbraw/zinc/19/03/64/746190364.db2.gz KWRMJDWYFUTCEA-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H]1C ZINC000993490367 746190366 /nfs/dbraw/zinc/19/03/66/746190366.db2.gz KWRMJDWYFUTCEA-HOTGVXAUSA-N 2 2 316.449 1.919 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993701886 746295607 /nfs/dbraw/zinc/29/56/07/746295607.db2.gz GOPKVEYVTIXDMU-HIFRSBDPSA-N 2 2 303.406 1.557 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993701886 746295610 /nfs/dbraw/zinc/29/56/10/746295610.db2.gz GOPKVEYVTIXDMU-HIFRSBDPSA-N 2 2 303.406 1.557 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704157 746297190 /nfs/dbraw/zinc/29/71/90/746297190.db2.gz PVCJOODBBIEPQX-GOEBONIOSA-N 2 2 317.433 1.947 20 30 DDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704157 746297192 /nfs/dbraw/zinc/29/71/92/746297192.db2.gz PVCJOODBBIEPQX-GOEBONIOSA-N 2 2 317.433 1.947 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381920 752118564 /nfs/dbraw/zinc/11/85/64/752118564.db2.gz IVUWYBFNYNRIBF-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381920 752118569 /nfs/dbraw/zinc/11/85/69/752118569.db2.gz IVUWYBFNYNRIBF-OAHLLOKOSA-N 2 2 314.433 1.366 20 30 DDEDLP C=CCCC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001196602594 746909826 /nfs/dbraw/zinc/90/98/26/746909826.db2.gz OIHYZCGUFRVQGH-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP C=CCCC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001196602594 746909831 /nfs/dbraw/zinc/90/98/31/746909831.db2.gz OIHYZCGUFRVQGH-UHFFFAOYSA-N 2 2 304.438 1.853 20 30 DDEDLP CC#CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001003127337 747005270 /nfs/dbraw/zinc/00/52/70/747005270.db2.gz FXMUEZZTUVNXQU-UHFFFAOYSA-N 2 2 302.422 1.531 20 30 DDEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003192139 747034720 /nfs/dbraw/zinc/03/47/20/747034720.db2.gz FKCLKSITAPPHSN-HNNXBMFYSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCCO1 ZINC001200796460 748349410 /nfs/dbraw/zinc/34/94/10/748349410.db2.gz YITGSHNUFRNBHL-HNNXBMFYSA-N 2 2 319.405 1.026 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044438 748489981 /nfs/dbraw/zinc/48/99/81/748489981.db2.gz RQNQNKQSFHVNGJ-CABCVRRESA-N 2 2 311.857 1.804 20 30 DDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044438 748489982 /nfs/dbraw/zinc/48/99/82/748489982.db2.gz RQNQNKQSFHVNGJ-CABCVRRESA-N 2 2 311.857 1.804 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2c(F)c(F)c(C#N)c(F)c2F)CC1 ZINC001168741465 748744204 /nfs/dbraw/zinc/74/42/04/748744204.db2.gz ZVSLJMSFMQVMJD-UHFFFAOYSA-N 2 2 315.274 1.709 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001036221077 752298128 /nfs/dbraw/zinc/29/81/28/752298128.db2.gz BHNFTEJCUUBGOV-RDJZCZTQSA-N 2 2 324.428 1.645 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213322 748950479 /nfs/dbraw/zinc/95/04/79/748950479.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033213322 748950482 /nfs/dbraw/zinc/95/04/82/748950482.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213322 748950485 /nfs/dbraw/zinc/95/04/85/748950485.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213322 748950491 /nfs/dbraw/zinc/95/04/91/748950491.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 2 316.449 1.932 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423159 749340012 /nfs/dbraw/zinc/34/00/12/749340012.db2.gz NYMPMAZFRSAEMT-CQSZACIVSA-N 2 2 318.421 1.603 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423159 749340021 /nfs/dbraw/zinc/34/00/21/749340021.db2.gz NYMPMAZFRSAEMT-CQSZACIVSA-N 2 2 318.421 1.603 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC000996330237 749515633 /nfs/dbraw/zinc/51/56/33/749515633.db2.gz KPCRWXDCHKCUBG-IIAWOOMASA-N 2 2 316.449 1.926 20 30 DDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996735302 750005972 /nfs/dbraw/zinc/00/59/72/750005972.db2.gz BFWWBPXHZDPSGI-CQSZACIVSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001034650130 750630028 /nfs/dbraw/zinc/63/00/28/750630028.db2.gz DMAAUTGKZVJHRX-SHTZXODSSA-N 2 2 316.449 1.965 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493570 751057425 /nfs/dbraw/zinc/05/74/25/751057425.db2.gz ZRTCNAZXUDDLNR-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493570 751057429 /nfs/dbraw/zinc/05/74/29/751057429.db2.gz ZRTCNAZXUDDLNR-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493570 751057433 /nfs/dbraw/zinc/05/74/33/751057433.db2.gz ZRTCNAZXUDDLNR-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493570 751057439 /nfs/dbraw/zinc/05/74/39/751057439.db2.gz ZRTCNAZXUDDLNR-ULQDDVLXSA-N 2 2 303.450 1.415 20 30 DDEDLP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035242014 751323645 /nfs/dbraw/zinc/32/36/45/751323645.db2.gz TZDUTKVVRSRPRB-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035242014 751323650 /nfs/dbraw/zinc/32/36/50/751323650.db2.gz TZDUTKVVRSRPRB-UHFFFAOYSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000999006351 752446532 /nfs/dbraw/zinc/44/65/32/752446532.db2.gz BEGXRUGSMIPHGM-IYXRBSQSSA-N 2 2 302.422 1.588 20 30 DDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000999006351 752446539 /nfs/dbraw/zinc/44/65/39/752446539.db2.gz BEGXRUGSMIPHGM-IYXRBSQSSA-N 2 2 302.422 1.588 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537702 752981241 /nfs/dbraw/zinc/98/12/41/752981241.db2.gz UBZUGCSNWWKPBE-ZIAGYGMSSA-N 2 2 322.840 1.779 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537411 752981264 /nfs/dbraw/zinc/98/12/64/752981264.db2.gz SFOUWNVTXWAMPF-UONOGXRCSA-N 2 2 322.840 1.779 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCC)CCO1 ZINC001108004295 753484096 /nfs/dbraw/zinc/48/40/96/753484096.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108004295 753484099 /nfs/dbraw/zinc/48/40/99/753484099.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCCC)CCO1 ZINC001108004295 753484103 /nfs/dbraw/zinc/48/41/03/753484103.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCCC)CCO1 ZINC001108004295 753484107 /nfs/dbraw/zinc/48/41/07/753484107.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 2 321.465 1.091 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/Cl)CC1 ZINC001032800399 754060420 /nfs/dbraw/zinc/06/04/20/754060420.db2.gz HCRFHLHPZUWPLK-NEBFAKBJSA-N 2 2 321.852 1.369 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/Cl)CC1 ZINC001032800399 754060425 /nfs/dbraw/zinc/06/04/25/754060425.db2.gz HCRFHLHPZUWPLK-NEBFAKBJSA-N 2 2 321.852 1.369 20 30 DDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001821793 754523655 /nfs/dbraw/zinc/52/36/55/754523655.db2.gz GOOOSXPTORCXQT-AWEZNQCLSA-N 2 2 302.422 1.844 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608260 755826316 /nfs/dbraw/zinc/82/63/16/755826316.db2.gz SFQBSHFIQUFUJD-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608260 755826320 /nfs/dbraw/zinc/82/63/20/755826320.db2.gz SFQBSHFIQUFUJD-AWEZNQCLSA-N 2 2 305.447 1.637 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001014779161 755937665 /nfs/dbraw/zinc/93/76/65/755937665.db2.gz JHNFCUPSLATKAZ-HOTGVXAUSA-N 2 2 317.458 1.536 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001014779161 755937668 /nfs/dbraw/zinc/93/76/68/755937668.db2.gz JHNFCUPSLATKAZ-HOTGVXAUSA-N 2 2 317.458 1.536 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001014779161 755937671 /nfs/dbraw/zinc/93/76/71/755937671.db2.gz JHNFCUPSLATKAZ-HOTGVXAUSA-N 2 2 317.458 1.536 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001014779161 755937672 /nfs/dbraw/zinc/93/76/72/755937672.db2.gz JHNFCUPSLATKAZ-HOTGVXAUSA-N 2 2 317.458 1.536 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001080709546 756062504 /nfs/dbraw/zinc/06/25/04/756062504.db2.gz HPDRWPXKSWXGIW-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001080709546 756062510 /nfs/dbraw/zinc/06/25/10/756062510.db2.gz HPDRWPXKSWXGIW-RHSMWYFYSA-N 2 2 308.385 1.556 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001001004620 762460188 /nfs/dbraw/zinc/46/01/88/762460188.db2.gz IZPFFUKRJUIGFS-DLBZAZTESA-N 2 2 316.449 1.841 20 30 DDEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689754 756468530 /nfs/dbraw/zinc/46/85/30/756468530.db2.gz IQQHGMYYVJGLET-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015689754 756468533 /nfs/dbraw/zinc/46/85/33/756468533.db2.gz IQQHGMYYVJGLET-KGLIPLIRSA-N 2 2 302.422 1.986 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329178 756734075 /nfs/dbraw/zinc/73/40/75/756734075.db2.gz FXERCCFACQYEFO-GDBMZVCRSA-N 2 2 318.421 1.153 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329178 756734080 /nfs/dbraw/zinc/73/40/80/756734080.db2.gz FXERCCFACQYEFO-GDBMZVCRSA-N 2 2 318.421 1.153 20 30 DDEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040493456 762559386 /nfs/dbraw/zinc/55/93/86/762559386.db2.gz LHDPYBIAHBTGAE-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040493456 762559389 /nfs/dbraw/zinc/55/93/89/762559389.db2.gz LHDPYBIAHBTGAE-KRWDZBQOSA-N 2 2 302.422 1.463 20 30 DDEDLP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510273 762570900 /nfs/dbraw/zinc/57/09/00/762570900.db2.gz NFIDHQVPWPJJRH-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040510273 762570901 /nfs/dbraw/zinc/57/09/01/762570901.db2.gz NFIDHQVPWPJJRH-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084692072 757781171 /nfs/dbraw/zinc/78/11/71/757781171.db2.gz QTXVWMHOAOQZHT-BZUAXINKSA-N 2 2 300.406 1.390 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001084692072 757781177 /nfs/dbraw/zinc/78/11/77/757781177.db2.gz QTXVWMHOAOQZHT-BZUAXINKSA-N 2 2 300.406 1.390 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550310 758017105 /nfs/dbraw/zinc/01/71/05/758017105.db2.gz XHLLPESCIADOFT-VVLHAWIVSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550310 758017116 /nfs/dbraw/zinc/01/71/16/758017116.db2.gz XHLLPESCIADOFT-VVLHAWIVSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550310 758017121 /nfs/dbraw/zinc/01/71/21/758017121.db2.gz XHLLPESCIADOFT-VVLHAWIVSA-N 2 2 301.434 1.169 20 30 DDEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550310 758017128 /nfs/dbraw/zinc/01/71/28/758017128.db2.gz XHLLPESCIADOFT-VVLHAWIVSA-N 2 2 301.434 1.169 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017572129 758041996 /nfs/dbraw/zinc/04/19/96/758041996.db2.gz VCIOHSMKCLUJLQ-VVLHAWIVSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572129 758042007 /nfs/dbraw/zinc/04/20/07/758042007.db2.gz VCIOHSMKCLUJLQ-VVLHAWIVSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572129 758042019 /nfs/dbraw/zinc/04/20/19/758042019.db2.gz VCIOHSMKCLUJLQ-VVLHAWIVSA-N 2 2 303.450 1.415 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572129 758042035 /nfs/dbraw/zinc/04/20/35/758042035.db2.gz VCIOHSMKCLUJLQ-VVLHAWIVSA-N 2 2 303.450 1.415 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)O2 ZINC001053600892 758622348 /nfs/dbraw/zinc/62/23/48/758622348.db2.gz VEDLBMDDHBHIIP-HRCADAONSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)O2 ZINC001053600892 758622350 /nfs/dbraw/zinc/62/23/50/758622350.db2.gz VEDLBMDDHBHIIP-HRCADAONSA-N 2 2 321.465 1.252 20 30 DDEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250249 759200206 /nfs/dbraw/zinc/20/02/06/759200206.db2.gz LQJCJMXFADATBO-FVQBIDKESA-N 2 2 302.422 1.649 20 30 DDEDLP C=CC[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OC ZINC001169844166 762699254 /nfs/dbraw/zinc/69/92/54/762699254.db2.gz HWJUWIMSDORKRO-ZBFHGGJFSA-N 2 2 303.406 1.749 20 30 DDEDLP C=CC[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(=O)OC ZINC001169844166 762699258 /nfs/dbraw/zinc/69/92/58/762699258.db2.gz HWJUWIMSDORKRO-ZBFHGGJFSA-N 2 2 303.406 1.749 20 30 DDEDLP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249080 759340920 /nfs/dbraw/zinc/34/09/20/759340920.db2.gz LFIJPVUGHMJLAW-QGZVFWFLSA-N 2 2 300.406 1.221 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249080 759340932 /nfs/dbraw/zinc/34/09/32/759340932.db2.gz LFIJPVUGHMJLAW-QGZVFWFLSA-N 2 2 300.406 1.221 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639760 759912544 /nfs/dbraw/zinc/91/25/44/759912544.db2.gz VNNMGGQIBKEPMV-ZWKOTPCHSA-N 2 2 317.477 1.949 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639760 759912551 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323.481 1.332 20 30 DDEDLP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663546 862403203 /nfs/dbraw/zinc/40/32/03/862403203.db2.gz LFBNLGFKPOWLKY-HNNXBMFYSA-N 2 2 320.437 1.434 20 30 DDEDLP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663546 862403205 /nfs/dbraw/zinc/40/32/05/862403205.db2.gz LFBNLGFKPOWLKY-HNNXBMFYSA-N 2 2 320.437 1.434 20 30 DDEDLP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001275250136 852930648 /nfs/dbraw/zinc/93/06/48/852930648.db2.gz DREARAAWLVOUGA-PCKAHOCUSA-N 2 2 316.449 1.896 20 30 DDEDLP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001275914002 853936855 /nfs/dbraw/zinc/93/68/55/853936855.db2.gz WRUCBVRQUFFDEO-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001275914002 853936859 /nfs/dbraw/zinc/93/68/59/853936859.db2.gz WRUCBVRQUFFDEO-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275914002 853936863 /nfs/dbraw/zinc/93/68/63/853936863.db2.gz WRUCBVRQUFFDEO-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275914002 853936867 /nfs/dbraw/zinc/93/68/67/853936867.db2.gz WRUCBVRQUFFDEO-GOEBONIOSA-N 2 2 309.454 1.252 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001328266084 862841246 /nfs/dbraw/zinc/84/12/46/862841246.db2.gz GPRQYLLFGXTBPW-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001328266084 862841264 /nfs/dbraw/zinc/84/12/64/862841264.db2.gz GPRQYLLFGXTBPW-LSDHHAIUSA-N 2 2 302.422 1.345 20 30 DDEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857187 857808966 /nfs/dbraw/zinc/80/89/66/857808966.db2.gz OEHWUYKRWMUYFO-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP CC#CC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857187 857808968 /nfs/dbraw/zinc/80/89/68/857808968.db2.gz OEHWUYKRWMUYFO-UHFFFAOYSA-N 2 2 308.385 1.734 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870495 857824989 /nfs/dbraw/zinc/82/49/89/857824989.db2.gz LCWCLGVZESUEGP-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870495 857824995 /nfs/dbraw/zinc/82/49/95/857824995.db2.gz LCWCLGVZESUEGP-HNNXBMFYSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001073101489 858101433 /nfs/dbraw/zinc/10/14/33/858101433.db2.gz NYPSNNZXMRZURS-UHFFFAOYSA-N 2 2 320.396 1.653 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001073101489 858101437 /nfs/dbraw/zinc/10/14/37/858101437.db2.gz NYPSNNZXMRZURS-UHFFFAOYSA-N 2 2 320.396 1.653 20 30 DDEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848306 858611933 /nfs/dbraw/zinc/61/19/33/858611933.db2.gz KWNUBJUJMXWBAL-JFPDKAJLSA-N 2 2 314.433 1.875 20 30 DDEDLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001203052657 860663561 /nfs/dbraw/zinc/66/35/61/860663561.db2.gz QMIZJJLINQCUIT-UHFFFAOYSA-N 2 2 322.412 1.585 20 30 DDEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001328732902 863181882 /nfs/dbraw/zinc/18/18/82/863181882.db2.gz KIKORDHBGLINBK-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001328732902 863181886 /nfs/dbraw/zinc/18/18/86/863181886.db2.gz KIKORDHBGLINBK-DOTOQJQBSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001277046139 881850016 /nfs/dbraw/zinc/85/00/16/881850016.db2.gz HMFMDNUJZDUSOH-KLHDSHLOSA-N 2 2 316.449 1.974 20 30 DDEDLP C#CCC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964597 865619789 /nfs/dbraw/zinc/61/97/89/865619789.db2.gz SSDREBSKXIPGEP-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C#CCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964597 865619794 /nfs/dbraw/zinc/61/97/94/865619794.db2.gz SSDREBSKXIPGEP-UHFFFAOYSA-N 2 2 300.406 1.504 20 30 DDEDLP C[NH+]1CCN(c2cccc(NCc3cncc(C#N)c3)[nH+]2)CC1 ZINC001160994968 866256326 /nfs/dbraw/zinc/25/63/26/866256326.db2.gz DETKZHWSVQNPOV-UHFFFAOYSA-N 2 2 308.389 1.712 20 30 DDEDLP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001324187229 867130679 /nfs/dbraw/zinc/13/06/79/867130679.db2.gz PPZRFAVPQACBQN-HOCLYGCPSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+](CC1CC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC001321148718 867353399 /nfs/dbraw/zinc/35/33/99/867353399.db2.gz CHFKVKWRUYPLGY-KRWDZBQOSA-N 2 2 303.406 1.206 20 30 DDEDLP C#CC[N@@H+](CC1CC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC001321148718 867353411 /nfs/dbraw/zinc/35/34/11/867353411.db2.gz CHFKVKWRUYPLGY-KRWDZBQOSA-N 2 2 303.406 1.206 20 30 DDEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001324756636 867504093 /nfs/dbraw/zinc/50/40/93/867504093.db2.gz CXOZNXWCZDXHKJ-SFHVURJKSA-N 2 2 310.401 1.799 20 30 DDEDLP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324972567 867672860 /nfs/dbraw/zinc/67/28/60/867672860.db2.gz RBPMJTIPXVLKFY-KRWDZBQOSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324972567 867672869 /nfs/dbraw/zinc/67/28/69/867672869.db2.gz RBPMJTIPXVLKFY-KRWDZBQOSA-N 2 2 320.437 1.373 20 30 DDEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325052422 867725064 /nfs/dbraw/zinc/72/50/64/867725064.db2.gz YNYZLXKVLLYJDF-CYBMUJFWSA-N 2 2 312.364 1.451 20 30 DDEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325052422 867725074 /nfs/dbraw/zinc/72/50/74/867725074.db2.gz YNYZLXKVLLYJDF-CYBMUJFWSA-N 2 2 312.364 1.451 20 30 DDEDLP C[NH+]1CCN(c2ccc(C=[NH+]N3CCC[C@H]3CO)cc2F)CC1 ZINC001325667130 868230351 /nfs/dbraw/zinc/23/03/51/868230351.db2.gz NCPGTTHUERBVOR-HNNXBMFYSA-N 2 2 320.412 1.368 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335620958 868430022 /nfs/dbraw/zinc/43/00/22/868430022.db2.gz BLFAEUFXUOKIQL-UHFFFAOYSA-N 2 2 322.478 1.869 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317192145 870444943 /nfs/dbraw/zinc/44/49/43/870444943.db2.gz CKIBFFYMZFLYET-CQSZACIVSA-N 2 2 302.422 1.681 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001318700817 872214445 /nfs/dbraw/zinc/21/44/45/872214445.db2.gz GJZIMJXHJDPIRT-KBXCAEBGSA-N 2 2 314.433 1.343 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001208407733 874117537 /nfs/dbraw/zinc/11/75/37/874117537.db2.gz IKBOGIOZKORDLA-HNNXBMFYSA-N 2 2 301.390 1.237 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985834 874583029 /nfs/dbraw/zinc/58/30/29/874583029.db2.gz YQASVEGOEHNUBR-BZUAXINKSA-N 2 2 320.437 1.473 20 30 DDEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985834 874583034 /nfs/dbraw/zinc/58/30/34/874583034.db2.gz YQASVEGOEHNUBR-BZUAXINKSA-N 2 2 320.437 1.473 20 30 DDEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001378558107 875126712 /nfs/dbraw/zinc/12/67/12/875126712.db2.gz LOKHDPXGQAHTHQ-ZDUSSCGKSA-N 2 2 313.873 1.907 20 30 DDEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211189325 875705933 /nfs/dbraw/zinc/70/59/33/875705933.db2.gz YSQHFSGIKFDBOY-IRXDYDNUSA-N 2 2 321.465 1.254 20 30 DDEDLP N#Cc1cc(F)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC001218995313 877862692 /nfs/dbraw/zinc/86/26/92/877862692.db2.gz PYOLXYWIHLBMJH-UHFFFAOYSA-N 2 2 310.760 1.631 20 30 DDEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001355253933 878476277 /nfs/dbraw/zinc/47/62/77/878476277.db2.gz BXSGGKQMGMFOIN-LJQANCHMSA-N 2 2 313.445 1.034 20 30 DDEDLP N#Cc1cccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1Cl ZINC001222095011 880244975 /nfs/dbraw/zinc/24/49/75/880244975.db2.gz LZZXBZLOOVELCC-UHFFFAOYSA-N 2 2 304.825 1.739 20 30 DDEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222502369 880516840 /nfs/dbraw/zinc/51/68/40/880516840.db2.gz KDKQTDDDFGOCLC-ROUUACIJSA-N 2 2 309.417 1.565 20 30 DDEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222502369 880516846 /nfs/dbraw/zinc/51/68/46/880516846.db2.gz KDKQTDDDFGOCLC-ROUUACIJSA-N 2 2 309.417 1.565 20 30 DDEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277663322 886363924 /nfs/dbraw/zinc/36/39/24/886363924.db2.gz VMIWSLHRPOWQPL-NVXWUHKLSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001278088155 889598628 /nfs/dbraw/zinc/59/86/28/889598628.db2.gz PCAYGOVHSWHCCC-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246146890 892441359 /nfs/dbraw/zinc/44/13/59/892441359.db2.gz OMWFCFKTSULCIH-MAUKXSAKSA-N 3 2 312.461 1.953 20 30 DDEDLP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246769558 892877892 /nfs/dbraw/zinc/87/78/92/892877892.db2.gz WVBOCSXOZHDNDJ-MYSGWJLTSA-N 2 2 316.449 1.805 20 30 DDEDLP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246769558 892877911 /nfs/dbraw/zinc/87/79/11/892877911.db2.gz WVBOCSXOZHDNDJ-MYSGWJLTSA-N 2 2 316.449 1.805 20 30 DDEDLP C=CCOC[C@@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252492850 895212594 /nfs/dbraw/zinc/21/25/94/895212594.db2.gz MJPZKFWHEQCOBB-INIZCTEOSA-N 2 2 305.422 1.451 20 30 DDEDLP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254517170 896475087 /nfs/dbraw/zinc/47/50/87/896475087.db2.gz FGXDAEQTNAYQQV-AEFFLSMTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517170 896475095 /nfs/dbraw/zinc/47/50/95/896475095.db2.gz FGXDAEQTNAYQQV-AEFFLSMTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517170 896475102 /nfs/dbraw/zinc/47/51/02/896475102.db2.gz FGXDAEQTNAYQQV-AEFFLSMTSA-N 2 2 305.466 1.971 20 30 DDEDLP C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254517170 896475109 /nfs/dbraw/zinc/47/51/09/896475109.db2.gz FGXDAEQTNAYQQV-AEFFLSMTSA-N 2 2 305.466 1.971 20 30 DDEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254653993 896549859 /nfs/dbraw/zinc/54/98/59/896549859.db2.gz QZASPMBLHRMVLU-RQJABVFESA-N 2 2 308.426 1.605 20 30 DDEDLP C=CCOCC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001265198986 901691575 /nfs/dbraw/zinc/69/15/75/901691575.db2.gz MCAJGEFAYAYVSF-UHFFFAOYSA-N 2 2 306.410 1.078 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001391910061 902880513 /nfs/dbraw/zinc/88/05/13/902880513.db2.gz AGUAUBAPMQRGRE-YPMHNXCESA-N 2 2 310.829 1.540 20 30 DDEDLP C=C(C)C[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001266086423 902910479 /nfs/dbraw/zinc/91/04/79/902910479.db2.gz NPMSTHAKIHOPET-UHFFFAOYSA-N 2 2 312.417 1.977 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001282448615 905793766 /nfs/dbraw/zinc/79/37/66/905793766.db2.gz BDZOXGSBIMKBAX-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001282448615 905793769 /nfs/dbraw/zinc/79/37/69/905793769.db2.gz BDZOXGSBIMKBAX-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001282448615 905793775 /nfs/dbraw/zinc/79/37/75/905793775.db2.gz BDZOXGSBIMKBAX-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001282448615 905793781 /nfs/dbraw/zinc/79/37/81/905793781.db2.gz BDZOXGSBIMKBAX-DOTOQJQBSA-N 2 2 323.481 1.642 20 30 DDEDLP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001282557876 905869293 /nfs/dbraw/zinc/86/92/93/905869293.db2.gz JXGYQVOKQWEUTJ-OAGGEKHMSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001282557876 905869305 /nfs/dbraw/zinc/86/93/05/905869305.db2.gz JXGYQVOKQWEUTJ-OAGGEKHMSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CC[NH2+]CCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001283434749 907352133 /nfs/dbraw/zinc/35/21/33/907352133.db2.gz SHEXVXFXNDUAOC-QGZVFWFLSA-N 2 2 310.401 1.744 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]1C ZINC001283884644 908129292 /nfs/dbraw/zinc/12/92/92/908129292.db2.gz LVDLAKNUNJTOMZ-UKRRQHHQSA-N 2 2 301.390 1.235 20 30 DDEDLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377862533 923263335 /nfs/dbraw/zinc/26/33/35/923263335.db2.gz OKFNAGKALDREML-QWHCGFSZSA-N 2 2 311.389 1.507 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000161337396 354242467 /nfs/dbraw/zinc/24/24/67/354242467.db2.gz HPRNQPHKHRJNRL-KRWDZBQOSA-N 2 2 313.405 1.012 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596725260 356962054 /nfs/dbraw/zinc/96/20/54/356962054.db2.gz IHDAXHBXBDCWHC-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596725260 356962057 /nfs/dbraw/zinc/96/20/57/356962057.db2.gz IHDAXHBXBDCWHC-UHFFFAOYSA-N 2 2 321.400 1.702 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329754666 223024308 /nfs/dbraw/zinc/02/43/08/223024308.db2.gz XKVLJBCIUGNBLU-CQSZACIVSA-N 2 2 319.453 1.845 20 30 DDEDLP C[NH+](C)CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329754666 223024312 /nfs/dbraw/zinc/02/43/12/223024312.db2.gz XKVLJBCIUGNBLU-CQSZACIVSA-N 2 2 319.453 1.845 20 30 DDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599338731 357900051 /nfs/dbraw/zinc/90/00/51/357900051.db2.gz VXANIPVMPUBHOV-HNNXBMFYSA-N 2 2 306.410 1.276 20 30 DDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599338731 357900054 /nfs/dbraw/zinc/90/00/54/357900054.db2.gz VXANIPVMPUBHOV-HNNXBMFYSA-N 2 2 306.410 1.276 20 30 DDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)CCOCC1 ZINC000600742301 358304014 /nfs/dbraw/zinc/30/40/14/358304014.db2.gz UPZNIBLULSRYCR-HNNXBMFYSA-N 2 2 318.421 1.380 20 30 DDEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600743126 358304399 /nfs/dbraw/zinc/30/43/99/358304399.db2.gz ZXTYQPTXXVOGJS-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600743126 358304402 /nfs/dbraw/zinc/30/44/02/358304402.db2.gz ZXTYQPTXXVOGJS-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600750026 358306593 /nfs/dbraw/zinc/30/65/93/358306593.db2.gz TWQPKGUFYAGJLZ-LSDHHAIUSA-N 2 2 309.454 1.520 20 30 DDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600750026 358306595 /nfs/dbraw/zinc/30/65/95/358306595.db2.gz TWQPKGUFYAGJLZ-LSDHHAIUSA-N 2 2 309.454 1.520 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000602675574 359119858 /nfs/dbraw/zinc/11/98/58/359119858.db2.gz UVMGRSFYKYFHBL-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000602675574 359119860 /nfs/dbraw/zinc/11/98/60/359119860.db2.gz UVMGRSFYKYFHBL-CVEARBPZSA-N 2 2 309.454 1.522 20 30 DDEDLP CC1CC(C#N)(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610712868 360513917 /nfs/dbraw/zinc/51/39/17/360513917.db2.gz OGHITBCWLDFTHG-UUCFBXCCSA-N 2 2 304.438 1.211 20 30 DDEDLP CC1CC(C#N)(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000610712868 360513922 /nfs/dbraw/zinc/51/39/22/360513922.db2.gz OGHITBCWLDFTHG-UUCFBXCCSA-N 2 2 304.438 1.211 20 30 DDEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000275025176 212079506 /nfs/dbraw/zinc/07/95/06/212079506.db2.gz QQSDRLNVEVSLGZ-UHFFFAOYSA-N 2 2 313.449 1.948 20 30 DDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268908193 207076830 /nfs/dbraw/zinc/07/68/30/207076830.db2.gz MIGAACNGKNRFHZ-NVXWUHKLSA-N 2 2 301.434 1.595 20 30 DDEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268908193 207076832 /nfs/dbraw/zinc/07/68/32/207076832.db2.gz MIGAACNGKNRFHZ-NVXWUHKLSA-N 2 2 301.434 1.595 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822776 /nfs/dbraw/zinc/82/27/76/422822776.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822758 /nfs/dbraw/zinc/82/27/58/422822758.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822764 /nfs/dbraw/zinc/82/27/64/422822764.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 2 2 317.433 1.462 20 30 DDEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109707 406956078 /nfs/dbraw/zinc/95/60/78/406956078.db2.gz ZNKYQVHYZVQLAT-QGZVFWFLSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109707 406956079 /nfs/dbraw/zinc/95/60/79/406956079.db2.gz ZNKYQVHYZVQLAT-QGZVFWFLSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109707 406956081 /nfs/dbraw/zinc/95/60/81/406956081.db2.gz ZNKYQVHYZVQLAT-QGZVFWFLSA-N 2 2 301.434 1.743 20 30 DDEDLP C=CCNC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109707 406956084 /nfs/dbraw/zinc/95/60/84/406956084.db2.gz ZNKYQVHYZVQLAT-QGZVFWFLSA-N 2 2 301.434 1.743 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000092808134 407193308 /nfs/dbraw/zinc/19/33/08/407193308.db2.gz PETYVAFFNMMQIC-OAHLLOKOSA-N 2 2 317.437 1.437 20 30 DDEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000092808134 407193310 /nfs/dbraw/zinc/19/33/10/407193310.db2.gz PETYVAFFNMMQIC-OAHLLOKOSA-N 2 2 317.437 1.437 20 30 DDEDLP COCC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123462138 407329791 /nfs/dbraw/zinc/32/97/91/407329791.db2.gz VTUDNQGWQREEJO-UHFFFAOYSA-N 2 2 313.405 1.406 20 30 DDEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000103338383 407337226 /nfs/dbraw/zinc/33/72/26/407337226.db2.gz UERDAVIXUUVHER-INIZCTEOSA-N 2 2 321.469 1.217 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000115161952 407655630 /nfs/dbraw/zinc/65/56/30/407655630.db2.gz RHCFEQQIOWKCTI-UHFFFAOYSA-N 2 2 300.406 1.345 20 30 DDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000119731249 408108201 /nfs/dbraw/zinc/10/82/01/408108201.db2.gz LMULUIGEUXUCNX-UHFFFAOYSA-N 2 2 319.453 1.955 20 30 DDEDLP C#CCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000270944835 408754506 /nfs/dbraw/zinc/75/45/06/408754506.db2.gz UBCCNDJGAKJZSN-UHFFFAOYSA-N 2 2 315.417 1.694 20 30 DDEDLP C=CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000276466943 408863833 /nfs/dbraw/zinc/86/38/33/408863833.db2.gz RDXVRJRHZISQKP-UHFFFAOYSA-N 2 2 317.433 1.965 20 30 DDEDLP C=CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000276466943 408863837 /nfs/dbraw/zinc/86/38/37/408863837.db2.gz RDXVRJRHZISQKP-UHFFFAOYSA-N 2 2 317.433 1.965 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192013380 163211659 /nfs/dbraw/zinc/21/16/59/163211659.db2.gz JNHJUIGOXKOYQY-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192013380 163211663 /nfs/dbraw/zinc/21/16/63/163211663.db2.gz JNHJUIGOXKOYQY-KRWDZBQOSA-N 2 2 316.424 1.909 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000316860474 164024724 /nfs/dbraw/zinc/02/47/24/164024724.db2.gz SYAXGBJFOSNKKW-CVEARBPZSA-N 2 2 301.390 1.520 20 30 DDEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000316860474 164024725 /nfs/dbraw/zinc/02/47/25/164024725.db2.gz SYAXGBJFOSNKKW-CVEARBPZSA-N 2 2 301.390 1.520 20 30 DDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000351104333 410037418 /nfs/dbraw/zinc/03/74/18/410037418.db2.gz SYNIMQIFKRJTNQ-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000351104333 410037426 /nfs/dbraw/zinc/03/74/26/410037426.db2.gz SYNIMQIFKRJTNQ-UHFFFAOYSA-N 2 2 307.463 1.900 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359326016 410606096 /nfs/dbraw/zinc/60/60/96/410606096.db2.gz WIKVZPXBLOGAHL-SOUVJXGZSA-N 2 2 319.474 1.802 20 30 DDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359326016 410606102 /nfs/dbraw/zinc/60/61/02/410606102.db2.gz WIKVZPXBLOGAHL-SOUVJXGZSA-N 2 2 319.474 1.802 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374255171 418509948 /nfs/dbraw/zinc/50/99/48/418509948.db2.gz IRUGSHSDSGPSTA-GJZGRUSLSA-N 2 2 306.454 1.208 20 30 DDEDLP C#CC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374255171 418509951 /nfs/dbraw/zinc/50/99/51/418509951.db2.gz IRUGSHSDSGPSTA-GJZGRUSLSA-N 2 2 306.454 1.208 20 30 DDEDLP C[NH+]=C(NC[C@H](C)C(=O)OC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947018 222263772 /nfs/dbraw/zinc/26/37/72/222263772.db2.gz GEXXMTOZLYRHSG-HZSPNIEDSA-N 2 2 321.425 1.151 20 30 DDEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N1CCSCC1 ZINC000262271685 222274302 /nfs/dbraw/zinc/27/43/02/222274302.db2.gz KMRNIGQHIVSXPI-UHFFFAOYSA-N 2 2 303.435 1.708 20 30 DDEDLP C=CCOCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000361799233 418711441 /nfs/dbraw/zinc/71/14/41/418711441.db2.gz XMKZSLWJDHUCPO-UHFFFAOYSA-N 2 2 311.470 1.454 20 30 DDEDLP C=CCOCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000361799233 418711444 /nfs/dbraw/zinc/71/14/44/418711444.db2.gz XMKZSLWJDHUCPO-UHFFFAOYSA-N 2 2 311.470 1.454 20 30 DDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000368537897 418721379 /nfs/dbraw/zinc/72/13/79/418721379.db2.gz JTDNABKCLWZOTH-KRWDZBQOSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000368537897 418721380 /nfs/dbraw/zinc/72/13/80/418721380.db2.gz JTDNABKCLWZOTH-KRWDZBQOSA-N 2 2 321.465 1.349 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277157 418731072 /nfs/dbraw/zinc/73/10/72/418731072.db2.gz KQJPKSGJFSGFMN-LSDHHAIUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277157 418731073 /nfs/dbraw/zinc/73/10/73/418731073.db2.gz KQJPKSGJFSGFMN-LSDHHAIUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369435 418732809 /nfs/dbraw/zinc/73/28/09/418732809.db2.gz GYPJSQLETZTYQR-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369435 418732812 /nfs/dbraw/zinc/73/28/12/418732812.db2.gz GYPJSQLETZTYQR-OAHLLOKOSA-N 2 2 308.470 1.763 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371194532 418767776 /nfs/dbraw/zinc/76/77/76/418767776.db2.gz FEOPCGXCTQUNDP-KRWDZBQOSA-N 2 2 320.481 1.946 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371194532 418767778 /nfs/dbraw/zinc/76/77/78/418767778.db2.gz FEOPCGXCTQUNDP-KRWDZBQOSA-N 2 2 320.481 1.946 20 30 DDEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404774117 418772736 /nfs/dbraw/zinc/77/27/36/418772736.db2.gz YJKXJLFVTXXISP-UHFFFAOYSA-N 2 2 318.396 1.340 20 30 DDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000424161680 228238341 /nfs/dbraw/zinc/23/83/41/228238341.db2.gz VXGAFSWCOTWNMV-INIZCTEOSA-N 2 2 316.405 1.058 20 30 DDEDLP C=CCOc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000563607347 421527144 /nfs/dbraw/zinc/52/71/44/421527144.db2.gz AXADZQDZBXUCRA-CQSZACIVSA-N 2 2 304.394 1.358 20 30 DDEDLP C=CCOc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000563607347 421527146 /nfs/dbraw/zinc/52/71/46/421527146.db2.gz AXADZQDZBXUCRA-CQSZACIVSA-N 2 2 304.394 1.358 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COCCN3)CC2)cc1 ZINC000530224216 421587586 /nfs/dbraw/zinc/58/75/86/421587586.db2.gz JXUITLDSFWDLAG-SFHVURJKSA-N 2 2 314.433 1.101 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000530224216 421587589 /nfs/dbraw/zinc/58/75/89/421587589.db2.gz JXUITLDSFWDLAG-SFHVURJKSA-N 2 2 314.433 1.101 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000566380857 421605262 /nfs/dbraw/zinc/60/52/62/421605262.db2.gz XTIQGSKULGPXPP-OAHLLOKOSA-N 2 2 317.437 1.821 20 30 DDEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553137 421682941 /nfs/dbraw/zinc/68/29/41/421682941.db2.gz CAASRKSBXXCKRC-CQSZACIVSA-N 2 2 312.421 1.955 20 30 DDEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555553137 421682943 /nfs/dbraw/zinc/68/29/43/421682943.db2.gz CAASRKSBXXCKRC-CQSZACIVSA-N 2 2 312.421 1.955 20 30 DDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400521 422103249 /nfs/dbraw/zinc/10/32/49/422103249.db2.gz SWLFSIOWTJJWBX-XJKSGUPXSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400521 422103254 /nfs/dbraw/zinc/10/32/54/422103254.db2.gz SWLFSIOWTJJWBX-XJKSGUPXSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400521 422103258 /nfs/dbraw/zinc/10/32/58/422103258.db2.gz SWLFSIOWTJJWBX-XJKSGUPXSA-N 2 2 312.421 1.763 20 30 DDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574400521 422103261 /nfs/dbraw/zinc/10/32/61/422103261.db2.gz SWLFSIOWTJJWBX-XJKSGUPXSA-N 2 2 312.421 1.763 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644549061 423700032 /nfs/dbraw/zinc/70/00/32/423700032.db2.gz LDPLEZFZTYRFFX-IBGZPJMESA-N 3 2 317.477 1.719 20 30 DDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644549061 423700038 /nfs/dbraw/zinc/70/00/38/423700038.db2.gz LDPLEZFZTYRFFX-IBGZPJMESA-N 3 2 317.477 1.719 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318260 424566088 /nfs/dbraw/zinc/56/60/88/424566088.db2.gz YJPBKLCRGNGYCD-MRXNPFEDSA-N 2 2 309.454 1.230 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318260 424566096 /nfs/dbraw/zinc/56/60/96/424566096.db2.gz YJPBKLCRGNGYCD-MRXNPFEDSA-N 2 2 309.454 1.230 20 30 DDEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352904560 266129216 /nfs/dbraw/zinc/12/92/16/266129216.db2.gz UESKHJHPLHEPHP-UHFFFAOYSA-N 2 2 315.339 1.981 20 30 DDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352904560 266129219 /nfs/dbraw/zinc/12/92/19/266129219.db2.gz UESKHJHPLHEPHP-UHFFFAOYSA-N 2 2 315.339 1.981 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCCC3)C2)CC1 ZINC000369265348 277027389 /nfs/dbraw/zinc/02/73/89/277027389.db2.gz FXOYAYJHMHXYAY-CQSZACIVSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C#N)CCCC3)C2)CC1 ZINC000369265348 277027390 /nfs/dbraw/zinc/02/73/90/277027390.db2.gz FXOYAYJHMHXYAY-CQSZACIVSA-N 2 2 304.438 1.355 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000568143889 308108103 /nfs/dbraw/zinc/10/81/03/308108103.db2.gz MAJCSJVQIPWABO-NSHDSACASA-N 2 2 315.381 1.220 20 30 DDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000568143888 308108235 /nfs/dbraw/zinc/10/82/35/308108235.db2.gz MAJCSJVQIPWABO-LLVKDONJSA-N 2 2 315.381 1.220 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000526056621 333090535 /nfs/dbraw/zinc/09/05/35/333090535.db2.gz XTENSLFBMAYBTF-ILXRZTDVSA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000526056621 333090536 /nfs/dbraw/zinc/09/05/36/333090536.db2.gz XTENSLFBMAYBTF-ILXRZTDVSA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000526056621 333090537 /nfs/dbraw/zinc/09/05/37/333090537.db2.gz XTENSLFBMAYBTF-ILXRZTDVSA-N 2 2 304.438 1.353 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000526056621 333090538 /nfs/dbraw/zinc/09/05/38/333090538.db2.gz XTENSLFBMAYBTF-ILXRZTDVSA-N 2 2 304.438 1.353 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583143828 337245283 /nfs/dbraw/zinc/24/52/83/337245283.db2.gz WPCDRVBZMDILFQ-CYBMUJFWSA-N 2 2 307.361 1.324 20 30 DDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583143828 337245284 /nfs/dbraw/zinc/24/52/84/337245284.db2.gz WPCDRVBZMDILFQ-CYBMUJFWSA-N 2 2 307.361 1.324 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095271 341279646 /nfs/dbraw/zinc/27/96/46/341279646.db2.gz OZWQFLFETAKFEV-CVEARBPZSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095271 341279647 /nfs/dbraw/zinc/27/96/47/341279647.db2.gz OZWQFLFETAKFEV-CVEARBPZSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095271 341279648 /nfs/dbraw/zinc/27/96/48/341279648.db2.gz OZWQFLFETAKFEV-CVEARBPZSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000081095271 341279649 /nfs/dbraw/zinc/27/96/49/341279649.db2.gz OZWQFLFETAKFEV-CVEARBPZSA-N 2 2 319.453 1.304 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245435769 341293864 /nfs/dbraw/zinc/29/38/64/341293864.db2.gz DBLASNBOONGLPP-HZPDHXFCSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245435769 341293865 /nfs/dbraw/zinc/29/38/65/341293865.db2.gz DBLASNBOONGLPP-HZPDHXFCSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245435769 341293866 /nfs/dbraw/zinc/29/38/66/341293866.db2.gz DBLASNBOONGLPP-HZPDHXFCSA-N 2 2 308.470 1.801 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245435769 341293867 /nfs/dbraw/zinc/29/38/67/341293867.db2.gz DBLASNBOONGLPP-HZPDHXFCSA-N 2 2 308.470 1.801 20 30 DDEDLP CC#CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681538644 486449911 /nfs/dbraw/zinc/44/99/11/486449911.db2.gz JMRMWZBLTVSKOY-MRXNPFEDSA-N 2 2 306.454 1.210 20 30 DDEDLP CC#CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681538644 486449914 /nfs/dbraw/zinc/44/99/14/486449914.db2.gz JMRMWZBLTVSKOY-MRXNPFEDSA-N 2 2 306.454 1.210 20 30 DDEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490867070 527022434 /nfs/dbraw/zinc/02/24/34/527022434.db2.gz YXFDAKBHBFTKPD-SJLPKXTDSA-N 2 2 324.428 1.969 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000329742632 527814904 /nfs/dbraw/zinc/81/49/04/527814904.db2.gz PPBPKBVUPSVQKY-ZENOOKHLSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000329742632 527814909 /nfs/dbraw/zinc/81/49/09/527814909.db2.gz PPBPKBVUPSVQKY-ZENOOKHLSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000329742632 527814913 /nfs/dbraw/zinc/81/49/13/527814913.db2.gz PPBPKBVUPSVQKY-ZENOOKHLSA-N 2 2 319.453 1.843 20 30 DDEDLP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000329742632 527814917 /nfs/dbraw/zinc/81/49/17/527814917.db2.gz PPBPKBVUPSVQKY-ZENOOKHLSA-N 2 2 319.453 1.843 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332002684 527934796 /nfs/dbraw/zinc/93/47/96/527934796.db2.gz ORKSLKOAWMCIRS-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332002684 527934800 /nfs/dbraw/zinc/93/48/00/527934800.db2.gz ORKSLKOAWMCIRS-VYDXJSESSA-N 2 2 308.470 1.845 20 30 DDEDLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330484716 528168088 /nfs/dbraw/zinc/16/80/88/528168088.db2.gz YNFRGTJQGSERNG-OAHLLOKOSA-N 2 2 319.453 1.848 20 30 DDEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450357 695254257 /nfs/dbraw/zinc/25/42/57/695254257.db2.gz SSDBANMGDJFEFB-QGZVFWFLSA-N 2 2 319.449 1.104 20 30 DDEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450357 695254259 /nfs/dbraw/zinc/25/42/59/695254259.db2.gz SSDBANMGDJFEFB-QGZVFWFLSA-N 2 2 319.449 1.104 20 30 DDEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959931 696985752 /nfs/dbraw/zinc/98/57/52/696985752.db2.gz QLAADGYJGISKPC-MRXNPFEDSA-N 2 2 314.433 1.312 20 30 DDEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959931 696985753 /nfs/dbraw/zinc/98/57/53/696985753.db2.gz QLAADGYJGISKPC-MRXNPFEDSA-N 2 2 314.433 1.312 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981484471 697108739 /nfs/dbraw/zinc/10/87/39/697108739.db2.gz RAIIULYJDMLCJD-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000981484471 697108741 /nfs/dbraw/zinc/10/87/41/697108741.db2.gz RAIIULYJDMLCJD-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981484471 697108742 /nfs/dbraw/zinc/10/87/42/697108742.db2.gz RAIIULYJDMLCJD-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981484471 697108744 /nfs/dbraw/zinc/10/87/44/697108744.db2.gz RAIIULYJDMLCJD-OAHLLOKOSA-N 2 2 316.449 1.933 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982850454 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2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700113 752280899 /nfs/dbraw/zinc/28/08/99/752280899.db2.gz SJGWSMFUNWFTKQ-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001007700113 752280903 /nfs/dbraw/zinc/28/09/03/752280903.db2.gz SJGWSMFUNWFTKQ-CABCVRRESA-N 2 2 316.449 1.980 20 30 DDEDLP C=CCOCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893272 748622711 /nfs/dbraw/zinc/62/27/11/748622711.db2.gz TZAYISKYYTXFEY-UHFFFAOYSA-N 2 2 306.410 1.056 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033204791 748913721 /nfs/dbraw/zinc/91/37/21/748913721.db2.gz AIBUZAXOBVABMG-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033204791 748913728 /nfs/dbraw/zinc/91/37/28/748913728.db2.gz AIBUZAXOBVABMG-LSDHHAIUSA-N 2 2 302.422 1.554 20 30 DDEDLP 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750032770 /nfs/dbraw/zinc/03/27/70/750032770.db2.gz VORHYVPIHRNVPV-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039414583 762012317 /nfs/dbraw/zinc/01/23/17/762012317.db2.gz DSGXWVYOCDVYFD-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001039414583 762012326 /nfs/dbraw/zinc/01/23/26/762012326.db2.gz DSGXWVYOCDVYFD-CVEARBPZSA-N 2 2 302.422 1.915 20 30 DDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997179514 750662312 /nfs/dbraw/zinc/66/23/12/750662312.db2.gz BMQLQLVHMRMLIV-GDBMZVCRSA-N 2 2 314.433 1.295 20 30 DDEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2)C1 ZINC001089911172 750952721 /nfs/dbraw/zinc/95/27/21/750952721.db2.gz IGSDOWKQCWEZTO-QAETUUGQSA-N 2 2 312.417 1.075 20 30 DDEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2)C1 ZINC001089911172 750952723 /nfs/dbraw/zinc/95/27/23/750952723.db2.gz IGSDOWKQCWEZTO-QAETUUGQSA-N 2 2 312.417 1.075 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001032482616 750986200 /nfs/dbraw/zinc/98/62/00/750986200.db2.gz GGHZCHORRYNTRL-XIRDDKMYSA-N 2 2 314.433 1.697 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001032482616 750986204 /nfs/dbraw/zinc/98/62/04/750986204.db2.gz GGHZCHORRYNTRL-XIRDDKMYSA-N 2 2 314.433 1.697 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032487990 751030975 /nfs/dbraw/zinc/03/09/75/751030975.db2.gz NEODDRAKNADLRY-HOTGVXAUSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032487990 751030977 /nfs/dbraw/zinc/03/09/77/751030977.db2.gz NEODDRAKNADLRY-HOTGVXAUSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032487990 751030984 /nfs/dbraw/zinc/03/09/84/751030984.db2.gz NEODDRAKNADLRY-HOTGVXAUSA-N 2 2 303.450 1.558 20 30 DDEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032487990 751030990 /nfs/dbraw/zinc/03/09/90/751030990.db2.gz NEODDRAKNADLRY-HOTGVXAUSA-N 2 2 303.450 1.558 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001036274897 752345615 /nfs/dbraw/zinc/34/56/15/752345615.db2.gz DMALVHRYZXAMIZ-GOEBONIOSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001039648538 762146839 /nfs/dbraw/zinc/14/68/39/762146839.db2.gz RZIRRVIKVKPWQS-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039648538 762146841 /nfs/dbraw/zinc/14/68/41/762146841.db2.gz RZIRRVIKVKPWQS-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCF ZINC001039648538 762146843 /nfs/dbraw/zinc/14/68/43/762146843.db2.gz RZIRRVIKVKPWQS-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCF ZINC001039648538 762146845 /nfs/dbraw/zinc/14/68/45/762146845.db2.gz RZIRRVIKVKPWQS-BBWFWOEESA-N 2 2 321.440 1.509 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000999490502 752973982 /nfs/dbraw/zinc/97/39/82/752973982.db2.gz QNTHNAXUHISMKQ-HNNXBMFYSA-N 2 2 303.406 1.789 20 30 DDEDLP C[Si](C)(C)C#Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169067467 762217818 /nfs/dbraw/zinc/21/78/18/762217818.db2.gz UKGDOICBMYYZRJ-CQSZACIVSA-N 2 2 314.465 1.358 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038625066 754385001 /nfs/dbraw/zinc/38/50/01/754385001.db2.gz UXULWPJZHNQDRV-IAGOWNOFSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038625066 754385003 /nfs/dbraw/zinc/38/50/03/754385003.db2.gz UXULWPJZHNQDRV-IAGOWNOFSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625066 754385006 /nfs/dbraw/zinc/38/50/06/754385006.db2.gz UXULWPJZHNQDRV-IAGOWNOFSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625066 754385009 /nfs/dbraw/zinc/38/50/09/754385009.db2.gz UXULWPJZHNQDRV-IAGOWNOFSA-N 2 2 303.450 1.607 20 30 DDEDLP C#CCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001014508214 755767807 /nfs/dbraw/zinc/76/78/07/755767807.db2.gz NEFFCZIXPWCSQK-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001014508214 755767809 /nfs/dbraw/zinc/76/78/09/755767809.db2.gz NEFFCZIXPWCSQK-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014508214 755767810 /nfs/dbraw/zinc/76/78/10/755767810.db2.gz NEFFCZIXPWCSQK-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001014508214 755767811 /nfs/dbraw/zinc/76/78/11/755767811.db2.gz NEFFCZIXPWCSQK-BBRMVZONSA-N 2 2 315.421 1.004 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080418956 755907879 /nfs/dbraw/zinc/90/78/79/755907879.db2.gz FTFMGZKRRJNRCG-VNHYZAJKSA-N 2 2 300.406 1.289 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080418956 755907883 /nfs/dbraw/zinc/90/78/83/755907883.db2.gz FTFMGZKRRJNRCG-VNHYZAJKSA-N 2 2 300.406 1.289 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014777769 755935986 /nfs/dbraw/zinc/93/59/86/755935986.db2.gz AXQFFVIPKPSSKS-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014777769 755935992 /nfs/dbraw/zinc/93/59/92/755935992.db2.gz AXQFFVIPKPSSKS-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014777769 755935997 /nfs/dbraw/zinc/93/59/97/755935997.db2.gz AXQFFVIPKPSSKS-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014777769 755936002 /nfs/dbraw/zinc/93/60/02/755936002.db2.gz AXQFFVIPKPSSKS-MSOLQXFVSA-N 2 2 317.477 1.855 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082121633 756639166 /nfs/dbraw/zinc/63/91/66/756639166.db2.gz CUGUHYGDVQSCJU-BPLDGKMQSA-N 2 2 318.421 1.221 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082121633 756639169 /nfs/dbraw/zinc/63/91/69/756639169.db2.gz CUGUHYGDVQSCJU-BPLDGKMQSA-N 2 2 318.421 1.221 20 30 DDEDLP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373672 757118706 /nfs/dbraw/zinc/11/87/06/757118706.db2.gz SSGMJOBMUDDZEJ-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001097373672 757118708 /nfs/dbraw/zinc/11/87/08/757118708.db2.gz SSGMJOBMUDDZEJ-JJXSEGSLSA-N 2 2 314.433 1.743 20 30 DDEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001097362692 757122454 /nfs/dbraw/zinc/12/24/54/757122454.db2.gz FJYTUEUUHHCMMS-SRABZTEZSA-N 2 2 312.417 1.190 20 30 DDEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001097362692 757122458 /nfs/dbraw/zinc/12/24/58/757122458.db2.gz FJYTUEUUHHCMMS-SRABZTEZSA-N 2 2 312.417 1.190 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466247 757585407 /nfs/dbraw/zinc/58/54/07/757585407.db2.gz HWCLCNMHFNKYRD-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466247 757585411 /nfs/dbraw/zinc/58/54/11/757585411.db2.gz HWCLCNMHFNKYRD-BFYDXBDKSA-N 2 2 314.433 1.554 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001053293094 758348097 /nfs/dbraw/zinc/34/80/97/758348097.db2.gz FRDDMCXVYWWJCI-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053293094 758348110 /nfs/dbraw/zinc/34/81/10/758348110.db2.gz FRDDMCXVYWWJCI-MRXNPFEDSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173104 759252400 /nfs/dbraw/zinc/25/24/00/759252400.db2.gz HSOOIOPQZAKNMS-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173104 759252409 /nfs/dbraw/zinc/25/24/09/759252409.db2.gz HSOOIOPQZAKNMS-SFHVURJKSA-N 2 2 314.433 1.611 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234114 759324488 /nfs/dbraw/zinc/32/44/88/759324488.db2.gz XKOCKSOPOBIAJX-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234114 759324497 /nfs/dbraw/zinc/32/44/97/759324497.db2.gz XKOCKSOPOBIAJX-SFHVURJKSA-N 2 2 314.433 1.598 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249373 759342771 /nfs/dbraw/zinc/34/27/71/759342771.db2.gz UQARNPDFQZMHQP-INIZCTEOSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054249373 759342782 /nfs/dbraw/zinc/34/27/82/759342782.db2.gz UQARNPDFQZMHQP-INIZCTEOSA-N 2 2 322.840 1.950 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001054795320 760091464 /nfs/dbraw/zinc/09/14/64/760091464.db2.gz VSVQFBBHWVVGQH-UKRRQHHQSA-N 2 2 303.406 1.645 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001019642381 760130126 /nfs/dbraw/zinc/13/01/26/760130126.db2.gz NHTLPVKHFJPPRO-AWEZNQCLSA-N 2 2 311.389 1.648 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001108257443 761221682 /nfs/dbraw/zinc/22/16/82/761221682.db2.gz KTLNHGLEENZUDL-SJLPKXTDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001108257443 761221686 /nfs/dbraw/zinc/22/16/86/761221686.db2.gz KTLNHGLEENZUDL-SJLPKXTDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108257443 761221693 /nfs/dbraw/zinc/22/16/93/761221693.db2.gz KTLNHGLEENZUDL-SJLPKXTDSA-N 2 2 323.481 1.642 20 30 DDEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001108257443 761221694 /nfs/dbraw/zinc/22/16/94/761221694.db2.gz KTLNHGLEENZUDL-SJLPKXTDSA-N 2 2 323.481 1.642 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038706416 761308488 /nfs/dbraw/zinc/30/84/88/761308488.db2.gz TYXSLEPPRWUBFE-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038706416 761308493 /nfs/dbraw/zinc/30/84/93/761308493.db2.gz TYXSLEPPRWUBFE-CQSZACIVSA-N 2 2 316.405 1.098 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086405046 761560348 /nfs/dbraw/zinc/56/03/48/761560348.db2.gz XNIMTTDVUULJRZ-IHRRRGAJSA-N 2 2 322.840 1.682 20 30 DDEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786996 763328827 /nfs/dbraw/zinc/32/88/27/763328827.db2.gz LLEMWFOKHSXSHM-SFHVURJKSA-N 2 2 314.433 1.635 20 30 DDEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041786996 763328835 /nfs/dbraw/zinc/32/88/35/763328835.db2.gz LLEMWFOKHSXSHM-SFHVURJKSA-N 2 2 314.433 1.635 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161546 763726527 /nfs/dbraw/zinc/72/65/27/763726527.db2.gz AQKCZFPWUVCPKL-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042161546 763726531 /nfs/dbraw/zinc/72/65/31/763726531.db2.gz AQKCZFPWUVCPKL-JKSUJKDBSA-N 2 2 316.449 1.852 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042162857 763728584 /nfs/dbraw/zinc/72/85/84/763728584.db2.gz LODVMFXYEGMWJS-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042162857 763728590 /nfs/dbraw/zinc/72/85/90/763728590.db2.gz LODVMFXYEGMWJS-CVEARBPZSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001050913129 764269377 /nfs/dbraw/zinc/26/93/77/764269377.db2.gz KYZQDNQTYMPORY-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001050913129 764269379 /nfs/dbraw/zinc/26/93/79/764269379.db2.gz KYZQDNQTYMPORY-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001050913129 764269381 /nfs/dbraw/zinc/26/93/81/764269381.db2.gz KYZQDNQTYMPORY-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001050913129 764269383 /nfs/dbraw/zinc/26/93/83/764269383.db2.gz KYZQDNQTYMPORY-HOTGVXAUSA-N 2 2 309.454 1.252 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043630327 765014183 /nfs/dbraw/zinc/01/41/83/765014183.db2.gz YFGAPXZOBGNBMC-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043630327 765014186 /nfs/dbraw/zinc/01/41/86/765014186.db2.gz YFGAPXZOBGNBMC-MRXNPFEDSA-N 2 2 309.454 1.204 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC/C=C\CCC)CC1 ZINC001112977245 765077626 /nfs/dbraw/zinc/07/76/26/765077626.db2.gz SUGWBHGDQPDBTB-MJRGOJFPSA-N 2 2 317.477 1.975 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC/C=C\CCC)CC1 ZINC001112977245 765077631 /nfs/dbraw/zinc/07/76/31/765077631.db2.gz SUGWBHGDQPDBTB-MJRGOJFPSA-N 2 2 317.477 1.975 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC001044815089 765831335 /nfs/dbraw/zinc/83/13/35/765831335.db2.gz DERIPIJUMQIVSP-GJZGRUSLSA-N 2 2 323.400 1.483 20 30 DDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500789 765889944 /nfs/dbraw/zinc/88/99/44/765889944.db2.gz PICOODKIMVJIPW-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001052500789 765889951 /nfs/dbraw/zinc/88/99/51/765889951.db2.gz PICOODKIMVJIPW-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045398066 766282835 /nfs/dbraw/zinc/28/28/35/766282835.db2.gz TUCDYPOQTZATMW-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398066 766282838 /nfs/dbraw/zinc/28/28/38/766282838.db2.gz TUCDYPOQTZATMW-HNNXBMFYSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976037 766755181 /nfs/dbraw/zinc/75/51/81/766755181.db2.gz PLELUBYOWHDRER-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976037 766755185 /nfs/dbraw/zinc/75/51/85/766755185.db2.gz PLELUBYOWHDRER-SFHVURJKSA-N 2 2 314.433 1.680 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434401 767562438 /nfs/dbraw/zinc/56/24/38/767562438.db2.gz MGFLZPYZUUJSOT-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434401 767562440 /nfs/dbraw/zinc/56/24/40/767562440.db2.gz MGFLZPYZUUJSOT-RHSMWYFYSA-N 2 2 302.422 1.602 20 30 DDEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133269622 769653555 /nfs/dbraw/zinc/65/35/55/769653555.db2.gz ABMKVWOYNRDOHP-HIFRSBDPSA-N 2 2 302.422 1.358 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071627675 769742829 /nfs/dbraw/zinc/74/28/29/769742829.db2.gz JNIRDCDSTJLHRM-KBPBESRZSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071627675 769742837 /nfs/dbraw/zinc/74/28/37/769742837.db2.gz JNIRDCDSTJLHRM-KBPBESRZSA-N 2 2 320.437 1.895 20 30 DDEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792102 769893793 /nfs/dbraw/zinc/89/37/93/769893793.db2.gz IWNMOOZXZBOIIR-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792102 769893807 /nfs/dbraw/zinc/89/38/07/769893807.db2.gz IWNMOOZXZBOIIR-GASCZTMLSA-N 2 2 302.422 1.699 20 30 DDEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693807 769894565 /nfs/dbraw/zinc/89/45/65/769894565.db2.gz XHXVRTVGOFBOKQ-CABCVRRESA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[C@H]1C ZINC001071693807 769894578 /nfs/dbraw/zinc/89/45/78/769894578.db2.gz XHXVRTVGOFBOKQ-CABCVRRESA-N 2 2 316.449 1.917 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900903 770081378 /nfs/dbraw/zinc/08/13/78/770081378.db2.gz OULAHSOHRZPOPI-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900903 770081392 /nfs/dbraw/zinc/08/13/92/770081392.db2.gz OULAHSOHRZPOPI-KFWWJZLASA-N 2 2 300.406 1.022 20 30 DDEDLP CC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870165 770202082 /nfs/dbraw/zinc/20/20/82/770202082.db2.gz ZVYLKUJKGHJBEW-HZPDHXFCSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870165 770202088 /nfs/dbraw/zinc/20/20/88/770202088.db2.gz ZVYLKUJKGHJBEW-HZPDHXFCSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446066 770845107 /nfs/dbraw/zinc/84/51/07/770845107.db2.gz GRHVNUHMXOLCJB-CABCVRRESA-N 2 2 300.406 1.431 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513375 770954982 /nfs/dbraw/zinc/95/49/82/770954982.db2.gz WFIRQAMDEAJWDD-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001049513375 770954988 /nfs/dbraw/zinc/95/49/88/770954988.db2.gz WFIRQAMDEAJWDD-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513375 770954993 /nfs/dbraw/zinc/95/49/93/770954993.db2.gz WFIRQAMDEAJWDD-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001049513375 770954999 /nfs/dbraw/zinc/95/49/99/770954999.db2.gz WFIRQAMDEAJWDD-JKSUJKDBSA-N 2 2 302.422 1.984 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627354 771031681 /nfs/dbraw/zinc/03/16/81/771031681.db2.gz WRGNNSIGCJBLTA-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049627354 771031688 /nfs/dbraw/zinc/03/16/88/771031688.db2.gz WRGNNSIGCJBLTA-JKSUJKDBSA-N 2 2 302.422 1.915 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049645004 771047203 /nfs/dbraw/zinc/04/72/03/771047203.db2.gz LCKBLXHZAUGRCN-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049645004 771047207 /nfs/dbraw/zinc/04/72/07/771047207.db2.gz LCKBLXHZAUGRCN-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049645004 771047211 /nfs/dbraw/zinc/04/72/11/771047211.db2.gz LCKBLXHZAUGRCN-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049645004 771047216 /nfs/dbraw/zinc/04/72/16/771047216.db2.gz LCKBLXHZAUGRCN-QLFBSQMISA-N 2 2 311.857 1.898 20 30 DDEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc2[nH]ccc2c[nH+]1 ZINC001171067709 772222306 /nfs/dbraw/zinc/22/23/06/772222306.db2.gz MYEZHHRAJWZMCD-LBPRGKRZSA-N 2 2 303.366 1.548 20 30 DDEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767888 773221744 /nfs/dbraw/zinc/22/17/44/773221744.db2.gz SVXCTNQAIXTRKX-MRXNPFEDSA-N 2 2 314.433 1.638 20 30 DDEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767888 773221748 /nfs/dbraw/zinc/22/17/48/773221748.db2.gz SVXCTNQAIXTRKX-MRXNPFEDSA-N 2 2 314.433 1.638 20 30 DDEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805591 773812134 /nfs/dbraw/zinc/81/21/34/773812134.db2.gz HOCVEAWWNMUQMX-DYVFJYSZSA-N 2 2 318.421 1.316 20 30 DDEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805591 773812140 /nfs/dbraw/zinc/81/21/40/773812140.db2.gz HOCVEAWWNMUQMX-DYVFJYSZSA-N 2 2 318.421 1.316 20 30 DDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099157630 774868757 /nfs/dbraw/zinc/86/87/57/774868757.db2.gz GDXYBTOBIYOOAL-HOCLYGCPSA-N 2 2 322.840 1.915 20 30 DDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099157630 774868761 /nfs/dbraw/zinc/86/87/61/774868761.db2.gz GDXYBTOBIYOOAL-HOCLYGCPSA-N 2 2 322.840 1.915 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099348238 774955502 /nfs/dbraw/zinc/95/55/02/774955502.db2.gz FHNIRLMIGOJCIK-VXGBXAGGSA-N 2 2 316.327 1.438 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001100461351 776188408 /nfs/dbraw/zinc/18/84/08/776188408.db2.gz VBMIXFALHFMYLP-SLTAFYQDSA-N 2 2 314.433 1.331 20 30 DDEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001100461351 776188414 /nfs/dbraw/zinc/18/84/14/776188414.db2.gz VBMIXFALHFMYLP-SLTAFYQDSA-N 2 2 314.433 1.331 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171485728 776295048 /nfs/dbraw/zinc/29/50/48/776295048.db2.gz CSXZVTNMRHGONG-CQSZACIVSA-N 2 2 303.406 1.531 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604504 776365275 /nfs/dbraw/zinc/36/52/75/776365275.db2.gz IEVUDJMIOASUPJ-HIFRSBDPSA-N 2 2 316.449 1.721 20 30 DDEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604504 776365283 /nfs/dbraw/zinc/36/52/83/776365283.db2.gz IEVUDJMIOASUPJ-HIFRSBDPSA-N 2 2 316.449 1.721 20 30 DDEDLP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598498 777290202 /nfs/dbraw/zinc/29/02/02/777290202.db2.gz QVAXJOXWFXKRRN-UHFFFAOYSA-N 2 2 316.449 1.761 20 30 DDEDLP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881059 777939337 /nfs/dbraw/zinc/93/93/37/777939337.db2.gz ISBJBPLBOLGFHM-AWEZNQCLSA-N 2 2 308.426 1.419 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517444 778918225 /nfs/dbraw/zinc/91/82/25/778918225.db2.gz NVMTVOYFLPPHRI-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517444 778918230 /nfs/dbraw/zinc/91/82/30/778918230.db2.gz NVMTVOYFLPPHRI-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517444 778918234 /nfs/dbraw/zinc/91/82/34/778918234.db2.gz NVMTVOYFLPPHRI-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517444 778918239 /nfs/dbraw/zinc/91/82/39/778918239.db2.gz NVMTVOYFLPPHRI-RRFJBIMHSA-N 2 2 302.422 1.296 20 30 DDEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630060 779442365 /nfs/dbraw/zinc/44/23/65/779442365.db2.gz IFHFINJJMYRBML-HUUCEWRRSA-N 2 2 302.422 1.423 20 30 DDEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929219 779542632 /nfs/dbraw/zinc/54/26/32/779542632.db2.gz HRYGABXOWRHYEA-YCPHGPKFSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CCC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509760 780199313 /nfs/dbraw/zinc/19/93/13/780199313.db2.gz CXRUUWFZQZQJPA-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115737649 780384751 /nfs/dbraw/zinc/38/47/51/780384751.db2.gz RUQLMZJCYJGELA-HUUCEWRRSA-N 2 2 314.433 1.566 20 30 DDEDLP C=CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084137 781753160 /nfs/dbraw/zinc/75/31/60/781753160.db2.gz CMXOYXVFMVURAE-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001271916120 844203299 /nfs/dbraw/zinc/20/32/99/844203299.db2.gz PMKIMTXOYKGFQT-KRWDZBQOSA-N 2 2 324.428 1.734 20 30 DDEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266873720 836980365 /nfs/dbraw/zinc/98/03/65/836980365.db2.gz XCNYFLZTWPYSEP-DOTOQJQBSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736348 840740604 /nfs/dbraw/zinc/74/06/04/840740604.db2.gz RGJNKDMUHDFRLR-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268736348 840740610 /nfs/dbraw/zinc/74/06/10/840740610.db2.gz RGJNKDMUHDFRLR-GJZGRUSLSA-N 2 2 304.438 1.848 20 30 DDEDLP C=C(C)C[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001268828680 840876113 /nfs/dbraw/zinc/87/61/13/840876113.db2.gz JERFLVYIIAFSIT-UHFFFAOYSA-N 2 2 302.422 1.386 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001269080338 841179626 /nfs/dbraw/zinc/17/96/26/841179626.db2.gz ZSCASQQVFMRDPE-RBSFLKMASA-N 2 2 302.422 1.964 20 30 DDEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001269080338 841179630 /nfs/dbraw/zinc/17/96/30/841179630.db2.gz ZSCASQQVFMRDPE-RBSFLKMASA-N 2 2 302.422 1.964 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001269806278 842065404 /nfs/dbraw/zinc/06/54/04/842065404.db2.gz ZQLAABBKGKNUEZ-OAHLLOKOSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCOCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001269806278 842065415 /nfs/dbraw/zinc/06/54/15/842065415.db2.gz ZQLAABBKGKNUEZ-OAHLLOKOSA-N 2 2 309.454 1.206 20 30 DDEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CC2)CC1 ZINC001270370662 842523601 /nfs/dbraw/zinc/52/36/01/842523601.db2.gz YOFHYFOCVMDSOG-UHFFFAOYSA-N 2 2 300.406 1.219 20 30 DDEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001271650333 843755869 /nfs/dbraw/zinc/75/58/69/843755869.db2.gz WEAZKPIRCRADNZ-CVEARBPZSA-N 2 2 304.438 1.924 20 30 DDEDLP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001271686499 843781185 /nfs/dbraw/zinc/78/11/85/843781185.db2.gz KEFROYNCUVVBOI-HOTGVXAUSA-N 2 2 302.422 1.513 20 30 DDEDLP CCc1nc(C#N)c(C#N)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155062453 861693869 /nfs/dbraw/zinc/69/38/69/861693869.db2.gz AGHHKEIMVDUJHI-UHFFFAOYSA-N 2 2 307.361 1.435 20 30 DDEDLP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C ZINC000995952739 846798468 /nfs/dbraw/zinc/79/84/68/846798468.db2.gz RWJMWXOJXNXDDK-AWEZNQCLSA-N 2 2 304.438 1.939 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260863 848188637 /nfs/dbraw/zinc/18/86/37/848188637.db2.gz PVAQYSPGAYDWGO-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260863 848188640 /nfs/dbraw/zinc/18/86/40/848188640.db2.gz PVAQYSPGAYDWGO-MRXNPFEDSA-N 2 2 316.449 1.921 20 30 DDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034283819 848251050 /nfs/dbraw/zinc/25/10/50/848251050.db2.gz XOSTVERKWNPRBD-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034283819 848251056 /nfs/dbraw/zinc/25/10/56/848251056.db2.gz XOSTVERKWNPRBD-ZDUSSCGKSA-N 2 2 306.410 1.507 20 30 DDEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001327359900 862100865 /nfs/dbraw/zinc/10/08/65/862100865.db2.gz PYBXDKMWBROJID-HNNXBMFYSA-N 2 2 318.421 1.199 20 30 DDEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426495 862235908 /nfs/dbraw/zinc/23/59/08/862235908.db2.gz VUKDMDRCNATREZ-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426495 862235921 /nfs/dbraw/zinc/23/59/21/862235921.db2.gz VUKDMDRCNATREZ-ZBFHGGJFSA-N 2 2 320.437 1.372 20 30 DDEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150664863 862402692 /nfs/dbraw/zinc/40/26/92/862402692.db2.gz ZKTGHFYQHSQFCJ-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150664863 862402703 /nfs/dbraw/zinc/40/27/03/862402703.db2.gz ZKTGHFYQHSQFCJ-MRXNPFEDSA-N 2 2 320.437 1.136 20 30 DDEDLP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415450 862762762 /nfs/dbraw/zinc/76/27/62/862762762.db2.gz SWHJYLMJCUHPIP-UHFFFAOYSA-N 2 2 320.437 1.447 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828790 857766481 /nfs/dbraw/zinc/76/64/81/857766481.db2.gz RTLQIQCHCXLLLL-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001072828790 857766482 /nfs/dbraw/zinc/76/64/82/857766482.db2.gz RTLQIQCHCXLLLL-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828790 857766489 /nfs/dbraw/zinc/76/64/89/857766489.db2.gz RTLQIQCHCXLLLL-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001072828790 857766494 /nfs/dbraw/zinc/76/64/94/857766494.db2.gz RTLQIQCHCXLLLL-ZIAGYGMSSA-N 2 2 300.406 1.624 20 30 DDEDLP C=CCn1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cn1 ZINC001139771838 860478198 /nfs/dbraw/zinc/47/81/98/860478198.db2.gz QVSROTQAEGDYCL-UHFFFAOYSA-N 2 2 303.410 1.699 20 30 DDEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001157916151 864258629 /nfs/dbraw/zinc/25/86/29/864258629.db2.gz KQZRWLHYMFZMBB-UHFFFAOYSA-N 2 2 315.497 1.905 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994371 864293396 /nfs/dbraw/zinc/29/33/96/864293396.db2.gz HZKFEALVWJQRCL-OAHLLOKOSA-N 2 2 304.438 1.777 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994371 864293408 /nfs/dbraw/zinc/29/34/08/864293408.db2.gz HZKFEALVWJQRCL-OAHLLOKOSA-N 2 2 304.438 1.777 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083336 864395791 /nfs/dbraw/zinc/39/57/91/864395791.db2.gz ROZHAXYBRIMMBK-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083336 864395797 /nfs/dbraw/zinc/39/57/97/864395797.db2.gz ROZHAXYBRIMMBK-CABCVRRESA-N 2 2 302.422 1.295 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160400356 865815152 /nfs/dbraw/zinc/81/51/52/865815152.db2.gz OSNSESYXXAGTGF-HUUCEWRRSA-N 2 2 300.406 1.838 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160400356 865815159 /nfs/dbraw/zinc/81/51/59/865815159.db2.gz OSNSESYXXAGTGF-HUUCEWRRSA-N 2 2 300.406 1.838 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160400356 865815171 /nfs/dbraw/zinc/81/51/71/865815171.db2.gz OSNSESYXXAGTGF-HUUCEWRRSA-N 2 2 300.406 1.838 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160400356 865815178 /nfs/dbraw/zinc/81/51/78/865815178.db2.gz OSNSESYXXAGTGF-HUUCEWRRSA-N 2 2 300.406 1.838 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001160437392 865837363 /nfs/dbraw/zinc/83/73/63/865837363.db2.gz UUEQXBHNRFULAS-WCWCZOKXSA-N 2 2 317.477 1.860 20 30 DDEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001332634472 866003567 /nfs/dbraw/zinc/00/35/67/866003567.db2.gz WWUQMQPELAXQOS-HNNXBMFYSA-N 2 2 316.405 1.193 20 30 DDEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001332634472 866003585 /nfs/dbraw/zinc/00/35/85/866003585.db2.gz WWUQMQPELAXQOS-HNNXBMFYSA-N 2 2 316.405 1.193 20 30 DDEDLP CC#CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225652349 881957642 /nfs/dbraw/zinc/95/76/42/881957642.db2.gz CELFCDVNNGNEOO-UHFFFAOYSA-N 2 2 302.422 1.515 20 30 DDEDLP C#CCC[N@@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320029056 866434752 /nfs/dbraw/zinc/43/47/52/866434752.db2.gz MQOMHNVJNMMJDH-UHFFFAOYSA-N 2 2 310.401 1.899 20 30 DDEDLP C#CCC[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320029056 866434753 /nfs/dbraw/zinc/43/47/53/866434753.db2.gz MQOMHNVJNMMJDH-UHFFFAOYSA-N 2 2 310.401 1.899 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274945 868295064 /nfs/dbraw/zinc/29/50/64/868295064.db2.gz LEVAVXVXJBCKGP-INIZCTEOSA-N 2 2 311.470 1.549 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274945 868295085 /nfs/dbraw/zinc/29/50/85/868295085.db2.gz LEVAVXVXJBCKGP-INIZCTEOSA-N 2 2 311.470 1.549 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165857082 869738381 /nfs/dbraw/zinc/73/83/81/869738381.db2.gz MCABTOOUYXTZKK-HNNXBMFYSA-N 2 2 314.433 1.345 20 30 DDEDLP C=CCC[NH+]1CCN(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001316967484 870010283 /nfs/dbraw/zinc/01/02/83/870010283.db2.gz BFEGOGVSEKARLC-MRXNPFEDSA-N 2 2 319.453 1.144 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001317020403 870127867 /nfs/dbraw/zinc/12/78/67/870127867.db2.gz WLASLHUZDUQCHC-HUUCEWRRSA-N 2 2 302.422 1.506 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139078 870343189 /nfs/dbraw/zinc/34/31/89/870343189.db2.gz LULDCFRRCJROQA-IAGOWNOFSA-N 2 2 316.449 1.932 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317139078 870343199 /nfs/dbraw/zinc/34/31/99/870343199.db2.gz LULDCFRRCJROQA-IAGOWNOFSA-N 2 2 316.449 1.932 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001317196777 870450901 /nfs/dbraw/zinc/45/09/01/870450901.db2.gz GEMMXLQPIDOFFG-MRXNPFEDSA-N 2 2 304.438 1.900 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203442149 870562012 /nfs/dbraw/zinc/56/20/12/870562012.db2.gz JROXJECXOGAIJH-HUUCEWRRSA-N 2 2 302.422 1.935 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001203606731 870669427 /nfs/dbraw/zinc/66/94/27/870669427.db2.gz QMMFVJAOIQMZQF-GJZGRUSLSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317541088 871025853 /nfs/dbraw/zinc/02/58/53/871025853.db2.gz RYGGTXOVEPZABJ-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317541088 871025870 /nfs/dbraw/zinc/02/58/70/871025870.db2.gz RYGGTXOVEPZABJ-OAHLLOKOSA-N 2 2 302.422 1.297 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342414009 872198201 /nfs/dbraw/zinc/19/82/01/872198201.db2.gz AGDOKZWVBHTHAQ-OAHLLOKOSA-N 2 2 315.421 1.896 20 30 DDEDLP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001318687851 872205089 /nfs/dbraw/zinc/20/50/89/872205089.db2.gz QJRPMWDMQKNZCH-RDJZCZTQSA-N 2 2 309.454 1.158 20 30 DDEDLP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318687851 872205107 /nfs/dbraw/zinc/20/51/07/872205107.db2.gz QJRPMWDMQKNZCH-RDJZCZTQSA-N 2 2 309.454 1.158 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208439241 874144498 /nfs/dbraw/zinc/14/44/98/874144498.db2.gz ORPWRZZHTWDQKA-HUUCEWRRSA-N 2 2 300.406 1.049 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218560541 877567987 /nfs/dbraw/zinc/56/79/87/877567987.db2.gz ROUNVSBPKFAMSV-ZDUSSCGKSA-N 2 2 314.393 1.357 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(C#N)oc2ccccc21 ZINC001218628524 877622052 /nfs/dbraw/zinc/62/20/52/877622052.db2.gz NMPYPHHEDJPAHZ-LBPRGKRZSA-N 2 2 309.329 1.546 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001380659687 880138178 /nfs/dbraw/zinc/13/81/78/880138178.db2.gz ATXUKSIBUNSRMA-KGLIPLIRSA-N 2 2 324.856 1.932 20 30 DDEDLP COC(=O)c1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C#N ZINC001414017917 881024260 /nfs/dbraw/zinc/02/42/60/881024260.db2.gz TZBUMLWNSSCVIX-HIFRSBDPSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C#N ZINC001414017917 881024270 /nfs/dbraw/zinc/02/42/70/881024270.db2.gz TZBUMLWNSSCVIX-HIFRSBDPSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C#N ZINC001414017917 881024278 /nfs/dbraw/zinc/02/42/78/881024278.db2.gz TZBUMLWNSSCVIX-HIFRSBDPSA-N 2 2 313.401 1.728 20 30 DDEDLP COC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1C#N ZINC001414017917 881024290 /nfs/dbraw/zinc/02/42/90/881024290.db2.gz TZBUMLWNSSCVIX-HIFRSBDPSA-N 2 2 313.401 1.728 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CCOc1ccccc1C#N ZINC001277595685 885991141 /nfs/dbraw/zinc/99/11/41/885991141.db2.gz AVIZPHFESXTDLR-CALCHBBNSA-N 2 2 314.433 1.257 20 30 DDEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC001277595685 885991142 /nfs/dbraw/zinc/99/11/42/885991142.db2.gz AVIZPHFESXTDLR-CALCHBBNSA-N 2 2 314.433 1.257 20 30 DDEDLP C[NH+](C)CCN1CCC12C[NH+](CCOc1ccccc1C#N)C2 ZINC001277596279 885994021 /nfs/dbraw/zinc/99/40/21/885994021.db2.gz WOHQQBYARAGDHW-UHFFFAOYSA-N 2 2 314.433 1.259 20 30 DDEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC[NH+](C)C ZINC001374528912 913161002 /nfs/dbraw/zinc/16/10/02/913161002.db2.gz AYBCIJRRVWQMSP-UHFFFAOYSA-N 2 2 320.412 1.539 20 30 DDEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)CC[NH+](C)C ZINC001374528912 913161014 /nfs/dbraw/zinc/16/10/14/913161014.db2.gz AYBCIJRRVWQMSP-UHFFFAOYSA-N 2 2 320.412 1.539 20 30 DDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001235002703 888327348 /nfs/dbraw/zinc/32/73/48/888327348.db2.gz DLALACIYACTFGR-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001235002703 888327363 /nfs/dbraw/zinc/32/73/63/888327363.db2.gz DLALACIYACTFGR-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001235002703 888327380 /nfs/dbraw/zinc/32/73/80/888327380.db2.gz DLALACIYACTFGR-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001235002703 888327393 /nfs/dbraw/zinc/32/73/93/888327393.db2.gz DLALACIYACTFGR-IAGOWNOFSA-N 2 2 321.465 1.043 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001278562982 894251247 /nfs/dbraw/zinc/25/12/47/894251247.db2.gz UPKXYNZHQCGPAR-WMLDXEAASA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001278562982 894251265 /nfs/dbraw/zinc/25/12/65/894251265.db2.gz UPKXYNZHQCGPAR-WMLDXEAASA-N 2 2 302.422 1.440 20 30 DDEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374816047 914019970 /nfs/dbraw/zinc/01/99/70/914019970.db2.gz OUXPFRZHZKHIJA-SNVBAGLBSA-N 2 2 303.391 1.180 20 30 DDEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001278747124 896154333 /nfs/dbraw/zinc/15/43/33/896154333.db2.gz GOHWBDHUSBOMPT-CYBMUJFWSA-N 2 2 312.364 1.533 20 30 DDEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001278747124 896154337 /nfs/dbraw/zinc/15/43/37/896154337.db2.gz GOHWBDHUSBOMPT-CYBMUJFWSA-N 2 2 312.364 1.533 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)(C)C ZINC001278973390 897620907 /nfs/dbraw/zinc/62/09/07/897620907.db2.gz SUVONFWPAHKWQI-UMVBOHGHSA-N 2 2 302.422 1.657 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)(C)C ZINC001278973390 897620917 /nfs/dbraw/zinc/62/09/17/897620917.db2.gz SUVONFWPAHKWQI-UMVBOHGHSA-N 2 2 302.422 1.657 20 30 DDEDLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001390848805 900349574 /nfs/dbraw/zinc/34/95/74/900349574.db2.gz XNLHNQIMNNLENV-INIZCTEOSA-N 2 2 320.412 1.586 20 30 DDEDLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001390848805 900349582 /nfs/dbraw/zinc/34/95/82/900349582.db2.gz XNLHNQIMNNLENV-INIZCTEOSA-N 2 2 320.412 1.586 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001263835159 900750496 /nfs/dbraw/zinc/75/04/96/900750496.db2.gz IBINOPNQNSMSPA-IXDOHACOSA-N 2 2 316.449 1.978 20 30 DDEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263863318 900780695 /nfs/dbraw/zinc/78/06/95/900780695.db2.gz NQOXFMUEZUQUOB-SHTZXODSSA-N 2 2 314.433 1.270 20 30 DDEDLP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264180813 900997496 /nfs/dbraw/zinc/99/74/96/900997496.db2.gz RCKZFTBPHXWPOA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264180813 900997505 /nfs/dbraw/zinc/99/75/05/900997505.db2.gz RCKZFTBPHXWPOA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264180813 900997510 /nfs/dbraw/zinc/99/75/10/900997510.db2.gz RCKZFTBPHXWPOA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264180813 900997515 /nfs/dbraw/zinc/99/75/15/900997515.db2.gz RCKZFTBPHXWPOA-HOTGVXAUSA-N 2 2 309.454 1.206 20 30 DDEDLP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001265736216 902353285 /nfs/dbraw/zinc/35/32/85/902353285.db2.gz LGERHPYFJPMZEL-FHERZECASA-N 2 2 314.433 1.486 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225513 903149132 /nfs/dbraw/zinc/14/91/32/903149132.db2.gz OUNMTRIZTWFUAO-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225513 903149141 /nfs/dbraw/zinc/14/91/41/903149141.db2.gz OUNMTRIZTWFUAO-HOTGVXAUSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811781 906061081 /nfs/dbraw/zinc/06/10/81/906061081.db2.gz QAZBIPWXDGZLNT-CVEARBPZSA-N 2 2 316.449 1.930 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811781 906061089 /nfs/dbraw/zinc/06/10/89/906061089.db2.gz QAZBIPWXDGZLNT-CVEARBPZSA-N 2 2 316.449 1.930 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001393391866 906866658 /nfs/dbraw/zinc/86/66/58/906866658.db2.gz CPFWSOIDVWIZCG-MFKMUULPSA-N 2 2 310.829 1.697 20 30 DDEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372803800 908301959 /nfs/dbraw/zinc/30/19/59/908301959.db2.gz KWJUJKSARXZPFA-OAHLLOKOSA-N 2 2 311.857 1.661 20 30 DDEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372803800 908301976 /nfs/dbraw/zinc/30/19/76/908301976.db2.gz KWJUJKSARXZPFA-OAHLLOKOSA-N 2 2 311.857 1.661 20 30 DDEDLP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001373543522 910136969 /nfs/dbraw/zinc/13/69/69/910136969.db2.gz KDPBQFOLZSMHGN-UHFFFAOYSA-N 2 2 314.433 1.448 20 30 DDEDLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001373543522 910136972 /nfs/dbraw/zinc/13/69/72/910136972.db2.gz KDPBQFOLZSMHGN-UHFFFAOYSA-N 2 2 314.433 1.448 20 30 DDEDLP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375111856 914995372 /nfs/dbraw/zinc/99/53/72/914995372.db2.gz PIVGXFUARGSRHI-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375111856 914995387 /nfs/dbraw/zinc/99/53/87/914995387.db2.gz PIVGXFUARGSRHI-CYBMUJFWSA-N 2 2 311.389 1.461 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615779433 362437504 /nfs/dbraw/zinc/43/75/04/362437504.db2.gz BCPVIHZOHBSWPB-KGLIPLIRSA-N 2 2 301.394 1.471 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000615779433 362437507 /nfs/dbraw/zinc/43/75/07/362437507.db2.gz BCPVIHZOHBSWPB-KGLIPLIRSA-N 2 2 301.394 1.471 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C#N ZINC000595862538 356682006 /nfs/dbraw/zinc/68/20/06/356682006.db2.gz CPZFDLBYGSYVNJ-KRWDZBQOSA-N 2 2 315.417 1.598 20 30 DDEDLP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C#N ZINC000595862538 356682007 /nfs/dbraw/zinc/68/20/07/356682007.db2.gz CPZFDLBYGSYVNJ-KRWDZBQOSA-N 2 2 315.417 1.598 20 30 DDEDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065167 356758797 /nfs/dbraw/zinc/75/87/97/356758797.db2.gz FIOJNXQTKJMBCA-DLBZAZTESA-N 2 2 317.433 1.566 20 30 DDEDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000596065167 356758801 /nfs/dbraw/zinc/75/88/01/356758801.db2.gz FIOJNXQTKJMBCA-DLBZAZTESA-N 2 2 317.433 1.566 20 30 DDEDLP N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328871 357896241 /nfs/dbraw/zinc/89/62/41/357896241.db2.gz APCOXDANWJBWCZ-GJZGRUSLSA-N 2 2 318.421 1.660 20 30 DDEDLP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000599328871 357896245 /nfs/dbraw/zinc/89/62/45/357896245.db2.gz APCOXDANWJBWCZ-GJZGRUSLSA-N 2 2 318.421 1.660 20 30 DDEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000599663181 358014346 /nfs/dbraw/zinc/01/43/46/358014346.db2.gz DCRRADKQTCGXNO-MRXNPFEDSA-N 2 2 323.481 1.864 20 30 DDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599679028 358021912 /nfs/dbraw/zinc/02/19/12/358021912.db2.gz VCYDFIKAOGTIQT-QGZVFWFLSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2c(CC#N)cccc2C1 ZINC000599679028 358021913 /nfs/dbraw/zinc/02/19/13/358021913.db2.gz VCYDFIKAOGTIQT-QGZVFWFLSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679028 358021915 /nfs/dbraw/zinc/02/19/15/358021915.db2.gz VCYDFIKAOGTIQT-QGZVFWFLSA-N 2 2 317.433 1.050 20 30 DDEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679028 358021917 /nfs/dbraw/zinc/02/19/17/358021917.db2.gz VCYDFIKAOGTIQT-QGZVFWFLSA-N 2 2 317.433 1.050 20 30 DDEDLP CC(C)C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000602095200 358810076 /nfs/dbraw/zinc/81/00/76/358810076.db2.gz FFSIJKZBLGZZOR-AWEZNQCLSA-N 2 2 303.410 1.574 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000602675589 359119572 /nfs/dbraw/zinc/11/95/72/359119572.db2.gz UVMGRSFYKYFHBL-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000602675589 359119575 /nfs/dbraw/zinc/11/95/75/359119575.db2.gz UVMGRSFYKYFHBL-JKSUJKDBSA-N 2 2 309.454 1.522 20 30 DDEDLP C=CCc1cc(C[NH+]2CCC([NH2+]CCO)CC2)cc(OC)c1O ZINC000635001056 422759161 /nfs/dbraw/zinc/75/91/61/422759161.db2.gz DGYBXCZBCGHJFS-UHFFFAOYSA-N 2 2 320.433 1.676 20 30 DDEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910586 359701739 /nfs/dbraw/zinc/70/17/39/359701739.db2.gz VCZUHSPGNRLNDS-OAGGEKHMSA-N 2 2 312.417 1.473 20 30 DDEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910586 359701742 /nfs/dbraw/zinc/70/17/42/359701742.db2.gz VCZUHSPGNRLNDS-OAGGEKHMSA-N 2 2 312.417 1.473 20 30 DDEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000611500496 360738729 /nfs/dbraw/zinc/73/87/29/360738729.db2.gz ORUJSSAZIVGWJF-CHWSQXEVSA-N 2 2 306.207 1.972 20 30 DDEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330945642 223156172 /nfs/dbraw/zinc/15/61/72/223156172.db2.gz HDCHCKDJWVBHKO-UKRRQHHQSA-N 2 2 306.410 1.789 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nnc[nH]3)CC2)cc1 ZINC000271873211 209286477 /nfs/dbraw/zinc/28/64/77/209286477.db2.gz NGZMNHGYFUXLHE-UHFFFAOYSA-N 2 2 310.405 1.473 20 30 DDEDLP COCC1(C#N)CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348285542 223382002 /nfs/dbraw/zinc/38/20/02/223382002.db2.gz RERIABBIENWVHS-UHFFFAOYSA-N 2 2 308.451 1.957 20 30 DDEDLP C[S@](=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181763750 306700032 /nfs/dbraw/zinc/70/00/32/306700032.db2.gz BXLXUCMLMZVNGZ-QFIPXVFZSA-N 2 2 319.474 1.881 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171733761 407754219 /nfs/dbraw/zinc/75/42/19/407754219.db2.gz QFVZTGAWNJJGRD-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171733761 407754223 /nfs/dbraw/zinc/75/42/23/407754223.db2.gz QFVZTGAWNJJGRD-UHFFFAOYSA-N 2 2 324.469 1.047 20 30 DDEDLP CN(C)C(=[NH+]CC1([NH+]2CCCCC2)CC[NH+](C)CC1)N(C)C ZINC000262526402 407856221 /nfs/dbraw/zinc/85/62/21/407856221.db2.gz LFWMMYQOLLBUCG-UHFFFAOYSA-N 3 2 309.502 1.416 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153972139 407942952 /nfs/dbraw/zinc/94/29/52/407942952.db2.gz IGEJJCNEYOFKBV-ZACQAIPSSA-N 2 2 322.497 1.168 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247240879 408436953 /nfs/dbraw/zinc/43/69/53/408436953.db2.gz DMFYVVWFCSQVJN-UONOGXRCSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247240879 408436956 /nfs/dbraw/zinc/43/69/56/408436956.db2.gz DMFYVVWFCSQVJN-UONOGXRCSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247240879 408436959 /nfs/dbraw/zinc/43/69/59/408436959.db2.gz DMFYVVWFCSQVJN-UONOGXRCSA-N 2 2 310.442 1.193 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247240879 408436961 /nfs/dbraw/zinc/43/69/61/408436961.db2.gz DMFYVVWFCSQVJN-UONOGXRCSA-N 2 2 310.442 1.193 20 30 DDEDLP CC#CC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001466 409047465 /nfs/dbraw/zinc/04/74/65/409047465.db2.gz CYDLKYHBYLNENA-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293001466 409047470 /nfs/dbraw/zinc/04/74/70/409047470.db2.gz CYDLKYHBYLNENA-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293001466 409047474 /nfs/dbraw/zinc/04/74/74/409047474.db2.gz CYDLKYHBYLNENA-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP CC#CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293001466 409047477 /nfs/dbraw/zinc/04/74/77/409047477.db2.gz CYDLKYHBYLNENA-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328782784 409979012 /nfs/dbraw/zinc/97/90/12/409979012.db2.gz GGGLKICNGBEOBD-CABCVRRESA-N 2 2 319.453 1.998 20 30 DDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000329277172 410207223 /nfs/dbraw/zinc/20/72/23/410207223.db2.gz JFKZXUQKLIXTFZ-AWEZNQCLSA-N 2 2 323.441 1.123 20 30 DDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000329277172 410207228 /nfs/dbraw/zinc/20/72/28/410207228.db2.gz JFKZXUQKLIXTFZ-AWEZNQCLSA-N 2 2 323.441 1.123 20 30 DDEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000329498948 410328941 /nfs/dbraw/zinc/32/89/41/410328941.db2.gz FOKUXEQVAXYRMM-INIZCTEOSA-N 2 2 313.405 1.423 20 30 DDEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000329498948 410328945 /nfs/dbraw/zinc/32/89/45/410328945.db2.gz FOKUXEQVAXYRMM-INIZCTEOSA-N 2 2 313.405 1.423 20 30 DDEDLP CC[C@]1(C)COCC[NH+]1CC#CC[N@H+]1CCOC[C@@]1(C)CC ZINC000341908459 411083470 /nfs/dbraw/zinc/08/34/70/411083470.db2.gz DKNKJJZRTGJBKP-QZTJIDSGSA-N 2 2 308.466 1.992 20 30 DDEDLP CC[C@]1(C)COCC[NH+]1CC#CC[N@@H+]1CCOC[C@@]1(C)CC ZINC000341908459 411083475 /nfs/dbraw/zinc/08/34/75/411083475.db2.gz DKNKJJZRTGJBKP-QZTJIDSGSA-N 2 2 308.466 1.992 20 30 DDEDLP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129166832 196025433 /nfs/dbraw/zinc/02/54/33/196025433.db2.gz MLEINGFLILAXSV-MRXNPFEDSA-N 2 2 315.417 1.591 20 30 DDEDLP N#Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129166832 196025435 /nfs/dbraw/zinc/02/54/35/196025435.db2.gz MLEINGFLILAXSV-MRXNPFEDSA-N 2 2 315.417 1.591 20 30 DDEDLP C#CC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000374095238 418487121 /nfs/dbraw/zinc/48/71/21/418487121.db2.gz DEOMDEMJDSVUDJ-INIZCTEOSA-N 2 2 320.481 1.648 20 30 DDEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361117196 418586983 /nfs/dbraw/zinc/58/69/83/418586983.db2.gz IIVLWZSIFQQCIQ-QAPCUYQASA-N 2 2 324.465 1.975 20 30 DDEDLP C#CCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367402900 418597270 /nfs/dbraw/zinc/59/72/70/418597270.db2.gz MTWRGZQXFUJNPM-KRWDZBQOSA-N 2 2 305.466 1.807 20 30 DDEDLP C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367402900 418597272 /nfs/dbraw/zinc/59/72/72/418597272.db2.gz MTWRGZQXFUJNPM-KRWDZBQOSA-N 2 2 305.466 1.807 20 30 DDEDLP C[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262306804 222275556 /nfs/dbraw/zinc/27/55/56/222275556.db2.gz ASKKTACUTDMXCG-HNNXBMFYSA-N 2 2 304.442 1.354 20 30 DDEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262336186 222276281 /nfs/dbraw/zinc/27/62/81/222276281.db2.gz ZHDBQZCDLQTPRD-UHFFFAOYSA-N 2 2 312.364 1.802 20 30 DDEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262336186 222276285 /nfs/dbraw/zinc/27/62/85/222276285.db2.gz ZHDBQZCDLQTPRD-UHFFFAOYSA-N 2 2 312.364 1.802 20 30 DDEDLP C=C(Cl)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363500595 418766187 /nfs/dbraw/zinc/76/61/87/418766187.db2.gz RZTVBAZWYROLNB-LBPRGKRZSA-N 2 2 300.834 1.207 20 30 DDEDLP C=C(Cl)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363500595 418766189 /nfs/dbraw/zinc/76/61/89/418766189.db2.gz RZTVBAZWYROLNB-LBPRGKRZSA-N 2 2 300.834 1.207 20 30 DDEDLP Cc1ccc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1C#N ZINC000364278835 418774257 /nfs/dbraw/zinc/77/42/57/418774257.db2.gz FDSUKIAQFVFSET-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP Cc1ccc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1C#N ZINC000364278835 418774260 /nfs/dbraw/zinc/77/42/60/418774260.db2.gz FDSUKIAQFVFSET-HNNXBMFYSA-N 2 2 313.449 1.866 20 30 DDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000365478688 418865782 /nfs/dbraw/zinc/86/57/82/418865782.db2.gz OABKTOOUKQRBPY-AWEZNQCLSA-N 2 2 300.406 1.404 20 30 DDEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000365736278 418902223 /nfs/dbraw/zinc/90/22/23/418902223.db2.gz NQDSMTHZGRQYFF-BRWVUGGUSA-N 2 2 306.454 1.065 20 30 DDEDLP Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425242938 228397891 /nfs/dbraw/zinc/39/78/91/228397891.db2.gz SJOFNVSDUHQCDF-HUUCEWRRSA-N 2 2 302.422 1.985 20 30 DDEDLP C=CCc1cc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc(OC)c1O ZINC000414949442 419888151 /nfs/dbraw/zinc/88/81/51/419888151.db2.gz ZOFRNETYILOZCL-GOSISDBHSA-N 2 2 320.433 1.988 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000572631662 421806780 /nfs/dbraw/zinc/80/67/80/421806780.db2.gz AZRHGPBSSMUMRC-SJORKVTESA-N 2 2 304.434 1.839 20 30 DDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000572631662 421806781 /nfs/dbraw/zinc/80/67/81/421806781.db2.gz AZRHGPBSSMUMRC-SJORKVTESA-N 2 2 304.434 1.839 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576489227 422374327 /nfs/dbraw/zinc/37/43/27/422374327.db2.gz AIDFPLCZBQVTPG-UKRRQHHQSA-N 2 2 314.389 1.486 20 30 DDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576489227 422374332 /nfs/dbraw/zinc/37/43/32/422374332.db2.gz AIDFPLCZBQVTPG-UKRRQHHQSA-N 2 2 314.389 1.486 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664018824 424340891 /nfs/dbraw/zinc/34/08/91/424340891.db2.gz CVBDQXGNCYUUFU-LSDHHAIUSA-N 2 2 324.469 1.045 20 30 DDEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664018824 424340899 /nfs/dbraw/zinc/34/08/99/424340899.db2.gz CVBDQXGNCYUUFU-LSDHHAIUSA-N 2 2 324.469 1.045 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(=O)NC3)CC2)cc1 ZINC000344111112 268065722 /nfs/dbraw/zinc/06/57/22/268065722.db2.gz ULWVLNGLIHTWFE-KRWDZBQOSA-N 2 2 312.417 1.391 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000377929622 268250121 /nfs/dbraw/zinc/25/01/21/268250121.db2.gz ARAZVMGUGPOYME-INIZCTEOSA-N 2 2 323.400 1.777 20 30 DDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000377929622 268250122 /nfs/dbraw/zinc/25/01/22/268250122.db2.gz ARAZVMGUGPOYME-INIZCTEOSA-N 2 2 323.400 1.777 20 30 DDEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339754576 526358673 /nfs/dbraw/zinc/35/86/73/526358673.db2.gz RVYMWNAKAYAAHC-QGZVFWFLSA-N 2 2 313.445 1.847 20 30 DDEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339754576 526358677 /nfs/dbraw/zinc/35/86/77/526358677.db2.gz RVYMWNAKAYAAHC-QGZVFWFLSA-N 2 2 313.445 1.847 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490761679 526949864 /nfs/dbraw/zinc/94/98/64/526949864.db2.gz VROAZUTZOMMNMA-QFBILLFUSA-N 2 2 311.429 1.457 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490761679 526949868 /nfs/dbraw/zinc/94/98/68/526949868.db2.gz VROAZUTZOMMNMA-QFBILLFUSA-N 2 2 311.429 1.457 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000347543642 528623338 /nfs/dbraw/zinc/62/33/38/528623338.db2.gz YMEXZWKJNOLYQI-DOTOQJQBSA-N 2 2 320.481 1.658 20 30 DDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 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ZINC001028641086 739833842 /nfs/dbraw/zinc/83/38/42/739833842.db2.gz BAIXBMHUUMOBIS-LSDHHAIUSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018671 740950889 /nfs/dbraw/zinc/95/08/89/740950889.db2.gz GPJOYOWFGPGQBG-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018671 740950893 /nfs/dbraw/zinc/95/08/93/740950893.db2.gz GPJOYOWFGPGQBG-OAGGEKHMSA-N 2 2 314.433 1.412 20 30 DDEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001088337626 741410673 /nfs/dbraw/zinc/41/06/73/741410673.db2.gz KFQPIVXMOPHDDJ-HOTGVXAUSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001088338115 741411302 /nfs/dbraw/zinc/41/13/02/741411302.db2.gz VPKSNMPDMHDZLR-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961488 742281700 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NFMAIKFNEAAXBY-TUVASFSCSA-N 2 2 300.406 1.126 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035808231 751912196 /nfs/dbraw/zinc/91/21/96/751912196.db2.gz SFMOXBDFAJCBEJ-MRXNPFEDSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001035815487 751917924 /nfs/dbraw/zinc/91/79/24/751917924.db2.gz MCBMNOGVUIAVHD-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001035815487 751917929 /nfs/dbraw/zinc/91/79/29/751917929.db2.gz MCBMNOGVUIAVHD-HNNXBMFYSA-N 2 2 314.433 1.536 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000992704298 745128764 /nfs/dbraw/zinc/12/87/64/745128764.db2.gz AHVFQPYTQZMUHI-CWRNSKLLSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992704298 745128770 /nfs/dbraw/zinc/12/87/70/745128770.db2.gz AHVFQPYTQZMUHI-CWRNSKLLSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992797072 745204398 /nfs/dbraw/zinc/20/43/98/745204398.db2.gz XFYOGABEDNEHLS-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000992799881 745205956 /nfs/dbraw/zinc/20/59/56/745205956.db2.gz ZYMDBMDJAGMILV-ARFHVFGLSA-N 2 2 300.406 1.123 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106312375 745594237 /nfs/dbraw/zinc/59/42/37/745594237.db2.gz DSOAWFZFAPNKCB-UKRRQHHQSA-N 2 2 303.406 1.503 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342834 745615908 /nfs/dbraw/zinc/61/59/08/745615908.db2.gz FXTVFVXEYMXPRY-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342834 745615911 /nfs/dbraw/zinc/61/59/11/745615911.db2.gz FXTVFVXEYMXPRY-BPLDGKMQSA-N 2 2 316.449 1.693 20 30 DDEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 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HHSAZUHQDSMHFU-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007495021 752172850 /nfs/dbraw/zinc/17/28/50/752172850.db2.gz HHSAZUHQDSMHFU-GJZGRUSLSA-N 2 2 300.406 1.364 20 30 DDEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099364420 747363181 /nfs/dbraw/zinc/36/31/81/747363181.db2.gz LLGVKOZVVDJZBJ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099364420 747363186 /nfs/dbraw/zinc/36/31/86/747363186.db2.gz LLGVKOZVVDJZBJ-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001003842522 747598791 /nfs/dbraw/zinc/59/87/91/747598791.db2.gz MWSYEISNYSNEQB-UHFFFAOYSA-N 2 2 323.400 1.605 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937137 748179285 /nfs/dbraw/zinc/17/92/85/748179285.db2.gz KEXSANAYPRBEAQ-TZMCWYRMSA-N 2 2 324.856 1.789 20 30 DDEDLP 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C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001327596426 862306104 /nfs/dbraw/zinc/30/61/04/862306104.db2.gz UITIEMAKHZPDJD-WBVHZDCISA-N 2 2 320.437 1.353 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751275 862427419 /nfs/dbraw/zinc/42/74/19/862427419.db2.gz LXKGJQFCGWYUJC-LSDHHAIUSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751275 862427422 /nfs/dbraw/zinc/42/74/22/862427422.db2.gz LXKGJQFCGWYUJC-LSDHHAIUSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751275 862427427 /nfs/dbraw/zinc/42/74/27/862427427.db2.gz LXKGJQFCGWYUJC-LSDHHAIUSA-N 2 2 322.453 1.618 20 30 DDEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751275 862427431 /nfs/dbraw/zinc/42/74/31/862427431.db2.gz LXKGJQFCGWYUJC-LSDHHAIUSA-N 2 2 322.453 1.618 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073553919 858434362 /nfs/dbraw/zinc/43/43/62/858434362.db2.gz CGWZBFQINMSHJB-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073553919 858434367 /nfs/dbraw/zinc/43/43/67/858434367.db2.gz CGWZBFQINMSHJB-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553919 858434370 /nfs/dbraw/zinc/43/43/70/858434370.db2.gz CGWZBFQINMSHJB-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553919 858434376 /nfs/dbraw/zinc/43/43/76/858434376.db2.gz CGWZBFQINMSHJB-KGLIPLIRSA-N 2 2 315.845 1.040 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001157257583 863688485 /nfs/dbraw/zinc/68/84/85/863688485.db2.gz VHTRFZCCONQSJB-UHFFFAOYSA-N 2 2 311.389 1.510 20 30 DDEDLP C[Si](C)(C)C#Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158209590 864492856 /nfs/dbraw/zinc/49/28/56/864492856.db2.gz YZXPUOHPYKNEJO-CQSZACIVSA-N 2 2 314.465 1.358 20 30 DDEDLP C=CCC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158256782 864518353 /nfs/dbraw/zinc/51/83/53/864518353.db2.gz OHSFJDRXAGPXKG-HZPDHXFCSA-N 2 2 316.449 1.826 20 30 DDEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[N@H+](C)C1CC1 ZINC001331962723 865464394 /nfs/dbraw/zinc/46/43/94/865464394.db2.gz MQYXAFAHJOIEGU-ZDUSSCGKSA-N 2 2 300.406 1.959 20 30 DDEDLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)[N@@H+](C)C1CC1 ZINC001331962723 865464403 /nfs/dbraw/zinc/46/44/03/865464403.db2.gz MQYXAFAHJOIEGU-ZDUSSCGKSA-N 2 2 300.406 1.959 20 30 DDEDLP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001332435858 865839735 /nfs/dbraw/zinc/83/97/35/865839735.db2.gz BMYQYVBHCHXZQQ-AWEZNQCLSA-N 2 2 302.422 1.537 20 30 DDEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160739214 866090481 /nfs/dbraw/zinc/09/04/81/866090481.db2.gz UKSRYUQMQSQPRY-UHFFFAOYSA-N 2 2 320.824 1.663 20 30 DDEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001323150679 866384518 /nfs/dbraw/zinc/38/45/18/866384518.db2.gz QYSKCIYKCSTFIT-CVEARBPZSA-N 2 2 316.449 1.593 20 30 DDEDLP O=C(N1CCC(C#Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161150431 866411860 /nfs/dbraw/zinc/41/18/60/866411860.db2.gz IKLXZSICYOQMMM-ICSRJNTNSA-N 2 2 323.440 1.228 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301680 866505821 /nfs/dbraw/zinc/50/58/21/866505821.db2.gz WHOUNHXQUZTEQO-LSDHHAIUSA-N 2 2 304.438 1.896 20 30 DDEDLP C#CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806135 867007309 /nfs/dbraw/zinc/00/73/09/867007309.db2.gz ZPPPNONQBBDOGL-UHFFFAOYSA-N 2 2 300.406 1.124 20 30 DDEDLP C#CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806135 867007326 /nfs/dbraw/zinc/00/73/26/867007326.db2.gz ZPPPNONQBBDOGL-UHFFFAOYSA-N 2 2 300.406 1.124 20 30 DDEDLP CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001163013136 867998014 /nfs/dbraw/zinc/99/80/14/867998014.db2.gz HQBIBPGVPCRQHV-UHFFFAOYSA-N 2 2 324.428 1.567 20 30 DDEDLP C=CCO[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332198 868117429 /nfs/dbraw/zinc/11/74/29/868117429.db2.gz AAGGKDICBLNJBE-WBVHZDCISA-N 2 2 321.421 1.137 20 30 DDEDLP C=CCO[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001322332198 868117436 /nfs/dbraw/zinc/11/74/36/868117436.db2.gz AAGGKDICBLNJBE-WBVHZDCISA-N 2 2 321.421 1.137 20 30 DDEDLP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322578689 868259340 /nfs/dbraw/zinc/25/93/40/868259340.db2.gz AKNUPHHKFZCUDP-CYBMUJFWSA-N 2 2 310.829 1.636 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274946 868295120 /nfs/dbraw/zinc/29/51/20/868295120.db2.gz LEVAVXVXJBCKGP-MRXNPFEDSA-N 2 2 311.470 1.549 20 30 DDEDLP C=CCCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274946 868295131 /nfs/dbraw/zinc/29/51/31/868295131.db2.gz LEVAVXVXJBCKGP-MRXNPFEDSA-N 2 2 311.470 1.549 20 30 DDEDLP C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC[NH+](C)CC1 ZINC001164205862 869010155 /nfs/dbraw/zinc/01/01/55/869010155.db2.gz BWZHZKXUGHGVJK-UHFFFAOYSA-N 2 2 318.381 1.299 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165592895 869647672 /nfs/dbraw/zinc/64/76/72/869647672.db2.gz CJNNUXWDNGOVMM-ZIAGYGMSSA-N 2 2 300.406 1.413 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165592895 869647676 /nfs/dbraw/zinc/64/76/76/869647676.db2.gz CJNNUXWDNGOVMM-ZIAGYGMSSA-N 2 2 300.406 1.413 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001317043987 870155726 /nfs/dbraw/zinc/15/57/26/870155726.db2.gz FLVUTLDTZUDHEB-MWDXBVQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001317043987 870155730 /nfs/dbraw/zinc/15/57/30/870155730.db2.gz FLVUTLDTZUDHEB-MWDXBVQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317043987 870155737 /nfs/dbraw/zinc/15/57/37/870155737.db2.gz FLVUTLDTZUDHEB-MWDXBVQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317043987 870155743 /nfs/dbraw/zinc/15/57/43/870155743.db2.gz FLVUTLDTZUDHEB-MWDXBVQZSA-N 2 2 321.465 1.347 20 30 DDEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203677339 870706332 /nfs/dbraw/zinc/70/63/32/870706332.db2.gz KPLUUDPEEGNJHH-HOTGVXAUSA-N 2 2 316.449 1.946 20 30 DDEDLP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C12CCC2 ZINC001203679779 870708972 /nfs/dbraw/zinc/70/89/72/870708972.db2.gz ZLBOQXNHOQXZLD-HUUCEWRRSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317457421 870873835 /nfs/dbraw/zinc/87/38/35/870873835.db2.gz SCXFVGNBYKSOKD-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317457421 870873843 /nfs/dbraw/zinc/87/38/43/870873843.db2.gz SCXFVGNBYKSOKD-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317457421 870873851 /nfs/dbraw/zinc/87/38/51/870873851.db2.gz SCXFVGNBYKSOKD-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C=C(C)C[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317457421 870873860 /nfs/dbraw/zinc/87/38/60/870873860.db2.gz SCXFVGNBYKSOKD-MRXNPFEDSA-N 2 2 309.454 1.254 20 30 DDEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001317720782 871440713 /nfs/dbraw/zinc/44/07/13/871440713.db2.gz MBVWUDJGMOWGBD-FUHWJXTLSA-N 2 2 322.412 1.526 20 30 DDEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205556327 871627416 /nfs/dbraw/zinc/62/74/16/871627416.db2.gz PXOYOQAYAFIVON-INIZCTEOSA-N 2 2 316.449 1.850 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001208737845 874429931 /nfs/dbraw/zinc/42/99/31/874429931.db2.gz BVKUSKLOQYBTRR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001208737845 874429936 /nfs/dbraw/zinc/42/99/36/874429936.db2.gz BVKUSKLOQYBTRR-SJORKVTESA-N 2 2 321.465 1.091 20 30 DDEDLP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001378263755 874575757 /nfs/dbraw/zinc/57/57/57/874575757.db2.gz BEUHZIRWRKTBGV-CHWSQXEVSA-N 2 2 310.829 1.682 20 30 DDEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210643511 875468537 /nfs/dbraw/zinc/46/85/37/875468537.db2.gz JRICMXKGVGKNNE-HNNXBMFYSA-N 2 2 323.400 1.485 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362072593 882966377 /nfs/dbraw/zinc/96/63/77/882966377.db2.gz GNGQZRPPDJIUJV-ZDUSSCGKSA-N 2 2 315.421 1.093 20 30 DDEDLP Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362072593 882966382 /nfs/dbraw/zinc/96/63/82/882966382.db2.gz GNGQZRPPDJIUJV-ZDUSSCGKSA-N 2 2 315.421 1.093 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001378915901 875906907 /nfs/dbraw/zinc/90/69/07/875906907.db2.gz CKSGTPNMYKUXCS-UONOGXRCSA-N 2 2 310.829 1.852 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855642 876818591 /nfs/dbraw/zinc/81/85/91/876818591.db2.gz UZRSQTJEGJBJBI-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855642 876818601 /nfs/dbraw/zinc/81/86/01/876818601.db2.gz UZRSQTJEGJBJBI-IIAWOOMASA-N 2 2 304.438 1.991 20 30 DDEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218561186 877570806 /nfs/dbraw/zinc/57/08/06/877570806.db2.gz YDZYHILMJFUJCI-GFCCVEGCSA-N 2 2 300.366 1.346 20 30 DDEDLP C=CCC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC001357432903 879969635 /nfs/dbraw/zinc/96/96/35/879969635.db2.gz CEAPCFCGQIOYIS-UHFFFAOYSA-N 2 2 308.470 1.845 20 30 DDEDLP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230618604 884656551 /nfs/dbraw/zinc/65/65/51/884656551.db2.gz PWTDEUDMGUXQKB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC#N)CC1 ZINC001230618604 884656554 /nfs/dbraw/zinc/65/65/54/884656554.db2.gz PWTDEUDMGUXQKB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230618604 884656560 /nfs/dbraw/zinc/65/65/60/884656560.db2.gz PWTDEUDMGUXQKB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230618604 884656566 /nfs/dbraw/zinc/65/65/66/884656566.db2.gz PWTDEUDMGUXQKB-INIZCTEOSA-N 2 2 306.454 1.555 20 30 DDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001235002706 888326665 /nfs/dbraw/zinc/32/66/65/888326665.db2.gz DLALACIYACTFGR-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001235002706 888326675 /nfs/dbraw/zinc/32/66/75/888326675.db2.gz DLALACIYACTFGR-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001235002706 888326689 /nfs/dbraw/zinc/32/66/89/888326689.db2.gz DLALACIYACTFGR-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001235002706 888326704 /nfs/dbraw/zinc/32/67/04/888326704.db2.gz DLALACIYACTFGR-IRXDYDNUSA-N 2 2 321.465 1.043 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001365839429 891691488 /nfs/dbraw/zinc/69/14/88/891691488.db2.gz DJYBDMWOPNJMLM-DRZSPHRISA-N 2 2 310.829 1.825 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246948826 893009791 /nfs/dbraw/zinc/00/97/91/893009791.db2.gz MNUYOXGFRZDLDJ-DFNIBXOVSA-N 3 2 318.509 1.561 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278685982 895528498 /nfs/dbraw/zinc/52/84/98/895528498.db2.gz GSJHHPWOBYZZSN-QGZVFWFLSA-N 2 2 302.422 1.502 20 30 DDEDLP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278685982 895528504 /nfs/dbraw/zinc/52/85/04/895528504.db2.gz GSJHHPWOBYZZSN-QGZVFWFLSA-N 2 2 302.422 1.502 20 30 DDEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254659950 896553556 /nfs/dbraw/zinc/55/35/56/896553556.db2.gz UMWQDPZSMSPGPD-OKZBNKHCSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254659950 896553566 /nfs/dbraw/zinc/55/35/66/896553566.db2.gz UMWQDPZSMSPGPD-OKZBNKHCSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254659950 896553575 /nfs/dbraw/zinc/55/35/75/896553575.db2.gz UMWQDPZSMSPGPD-OKZBNKHCSA-N 2 2 321.465 1.739 20 30 DDEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254659950 896553584 /nfs/dbraw/zinc/55/35/84/896553584.db2.gz UMWQDPZSMSPGPD-OKZBNKHCSA-N 2 2 321.465 1.739 20 30 DDEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC001278972299 897619194 /nfs/dbraw/zinc/61/91/94/897619194.db2.gz BRIAIJIDYYHDQB-GDBMZVCRSA-N 2 2 316.449 1.589 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001369555035 901526580 /nfs/dbraw/zinc/52/65/80/901526580.db2.gz ZOQJRCHHPQNJLS-OLZOCXBDSA-N 2 2 317.861 1.190 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001369555035 901526587 /nfs/dbraw/zinc/52/65/87/901526587.db2.gz ZOQJRCHHPQNJLS-OLZOCXBDSA-N 2 2 317.861 1.190 20 30 DDEDLP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705634 902323212 /nfs/dbraw/zinc/32/32/12/902323212.db2.gz LHHNQTNTCFZCNR-JKSUJKDBSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001265705634 902323224 /nfs/dbraw/zinc/32/32/24/902323224.db2.gz LHHNQTNTCFZCNR-JKSUJKDBSA-N 2 2 302.422 1.513 20 30 DDEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001266002168 902738393 /nfs/dbraw/zinc/73/83/93/902738393.db2.gz TWHVFNGLLRERTF-HNNXBMFYSA-N 2 2 308.385 1.557 20 30 DDEDLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001266180293 903071375 /nfs/dbraw/zinc/07/13/75/903071375.db2.gz CRSCLAUCJIJTTG-OAHLLOKOSA-N 2 2 310.401 1.488 20 30 DDEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001280621496 903848778 /nfs/dbraw/zinc/84/87/78/903848778.db2.gz SJVAYTYZFUONQI-HNNXBMFYSA-N 2 2 306.410 1.056 20 30 DDEDLP C#CC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001280836550 904097009 /nfs/dbraw/zinc/09/70/09/904097009.db2.gz YWYJQZMABRSSHN-UHFFFAOYSA-N 2 2 310.401 1.899 20 30 DDEDLP C#CC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001280836550 904097025 /nfs/dbraw/zinc/09/70/25/904097025.db2.gz YWYJQZMABRSSHN-UHFFFAOYSA-N 2 2 310.401 1.899 20 30 DDEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001375509271 916165623 /nfs/dbraw/zinc/16/56/23/916165623.db2.gz HJLBNKLPBNNQIZ-IYBDPMFKSA-N 2 2 323.400 1.508 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001316661324 916681415 /nfs/dbraw/zinc/68/14/15/916681415.db2.gz AQTCUDUCQUOBML-QLFBSQMISA-N 2 2 302.422 1.486 20 30 DDEDLP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001316661324 916681428 /nfs/dbraw/zinc/68/14/28/916681428.db2.gz AQTCUDUCQUOBML-QLFBSQMISA-N 2 2 302.422 1.486 20 30 DDEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001375758979 916884708 /nfs/dbraw/zinc/88/47/08/916884708.db2.gz FDIZUJZLIZKCPI-KGLIPLIRSA-N 2 2 322.840 1.779 20 30 DDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329747094 539307696 /nfs/dbraw/zinc/30/76/96/539307696.db2.gz SFFCWYGMSHDXPC-GDBMZVCRSA-N 2 2 321.469 1.550 20 30 DDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329747094 539307698 /nfs/dbraw/zinc/30/76/98/539307698.db2.gz SFFCWYGMSHDXPC-GDBMZVCRSA-N 2 2 321.469 1.550 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272816458 210217496 /nfs/dbraw/zinc/21/74/96/210217496.db2.gz FZLMOYJXAKXRDE-NVXWUHKLSA-N 2 2 301.434 1.931 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272816458 210217499 /nfs/dbraw/zinc/21/74/99/210217499.db2.gz FZLMOYJXAKXRDE-NVXWUHKLSA-N 2 2 301.434 1.931 20 30 DDEDLP C[NH+]1CCC(CCNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185378 530048715 /nfs/dbraw/zinc/04/87/15/530048715.db2.gz JCNAQVDISMACHL-CQSZACIVSA-N 2 2 305.426 1.433 20 30 DDEDLP C[NH+]1CCC(CC[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330185378 530048716 /nfs/dbraw/zinc/04/87/16/530048716.db2.gz JCNAQVDISMACHL-CQSZACIVSA-N 2 2 305.426 1.433 20 30 DDEDLP CN(Cc1nc(C#N)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589518462 354998719 /nfs/dbraw/zinc/99/87/19/354998719.db2.gz OBBUQUOZQOVTFB-OAHLLOKOSA-N 2 2 319.478 1.615 20 30 DDEDLP CN(Cc1nc(C#N)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589518462 354998721 /nfs/dbraw/zinc/99/87/21/354998721.db2.gz OBBUQUOZQOVTFB-OAHLLOKOSA-N 2 2 319.478 1.615 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@](C)(C#N)C3)C2)CC1 ZINC000595519363 356530566 /nfs/dbraw/zinc/53/05/66/356530566.db2.gz XIRRKWAGAOPWGD-PBHICJAKSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@](C)(C#N)C3)C2)CC1 ZINC000595519363 356530571 /nfs/dbraw/zinc/53/05/71/356530571.db2.gz XIRRKWAGAOPWGD-PBHICJAKSA-N 2 2 319.453 1.100 20 30 DDEDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C#N)c(F)c1 ZINC000596655309 356943562 /nfs/dbraw/zinc/94/35/62/356943562.db2.gz USHZKTJLARKVTJ-VIFPVBQESA-N 2 2 301.325 1.502 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CCC(C#N)CC1 ZINC000596595795 356928967 /nfs/dbraw/zinc/92/89/67/356928967.db2.gz GFLZYGUHIKUEHA-UHFFFAOYSA-N 2 2 323.485 1.499 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CCC(C#N)CC1 ZINC000596595795 356928971 /nfs/dbraw/zinc/92/89/71/356928971.db2.gz GFLZYGUHIKUEHA-UHFFFAOYSA-N 2 2 323.485 1.499 20 30 DDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598615529 357654489 /nfs/dbraw/zinc/65/44/89/357654489.db2.gz CNWKFOQMDHTEIR-GDBMZVCRSA-N 2 2 309.454 1.472 20 30 DDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598615529 357654493 /nfs/dbraw/zinc/65/44/93/357654493.db2.gz CNWKFOQMDHTEIR-GDBMZVCRSA-N 2 2 309.454 1.472 20 30 DDEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601042877 358392070 /nfs/dbraw/zinc/39/20/70/358392070.db2.gz MCJMKALYCHKNBV-UHFFFAOYSA-N 2 2 309.373 1.794 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157283 360267543 /nfs/dbraw/zinc/26/75/43/360267543.db2.gz BDYJCWDPECPFGP-GDBMZVCRSA-N 2 2 303.410 1.574 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157283 360267550 /nfs/dbraw/zinc/26/75/50/360267550.db2.gz BDYJCWDPECPFGP-GDBMZVCRSA-N 2 2 303.410 1.574 20 30 DDEDLP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000610812809 360542956 /nfs/dbraw/zinc/54/29/56/360542956.db2.gz MTNINJCTOTZDHW-UHFFFAOYSA-N 2 2 313.449 1.624 20 30 DDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271700329 209137256 /nfs/dbraw/zinc/13/72/56/209137256.db2.gz TVYCNOFCCBYNOS-LSDHHAIUSA-N 2 2 314.433 1.761 20 30 DDEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000569094981 304336353 /nfs/dbraw/zinc/33/63/53/304336353.db2.gz HSCLBPJHBZATMW-QGZVFWFLSA-N 2 2 311.385 1.834 20 30 DDEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)o3)cn2)CC1 ZINC000174261113 407927233 /nfs/dbraw/zinc/92/72/33/407927233.db2.gz MYKDFPFXYPVINC-UHFFFAOYSA-N 2 2 311.389 1.588 20 30 DDEDLP COc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1OC ZINC000273340630 408160451 /nfs/dbraw/zinc/16/04/51/408160451.db2.gz MVFMWTIBZCFCDF-CQSZACIVSA-N 2 2 320.437 1.715 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157294449 408297038 /nfs/dbraw/zinc/29/70/38/408297038.db2.gz ZHYIFAGUATZHBQ-CVEARBPZSA-N 2 2 306.454 1.697 20 30 DDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157294449 408297043 /nfs/dbraw/zinc/29/70/43/408297043.db2.gz ZHYIFAGUATZHBQ-CVEARBPZSA-N 2 2 306.454 1.697 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177749075 408699890 /nfs/dbraw/zinc/69/98/90/408699890.db2.gz BRLONMMDVAGYAP-INIZCTEOSA-N 2 2 300.406 1.219 20 30 DDEDLP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291812146 408926928 /nfs/dbraw/zinc/92/69/28/408926928.db2.gz YGXIXDNOCTXSQA-ZDUSSCGKSA-N 2 2 300.406 1.247 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296905261 409695394 /nfs/dbraw/zinc/69/53/94/409695394.db2.gz NHGDIFOVMPCYJK-AWEZNQCLSA-N 2 2 317.437 1.468 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296905261 409695399 /nfs/dbraw/zinc/69/53/99/409695399.db2.gz NHGDIFOVMPCYJK-AWEZNQCLSA-N 2 2 317.437 1.468 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000317682968 409868198 /nfs/dbraw/zinc/86/81/98/409868198.db2.gz HXMHHKVMFINLHE-IRXDYDNUSA-N 2 2 300.402 1.651 20 30 DDEDLP C#CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000317682968 409868205 /nfs/dbraw/zinc/86/82/05/409868205.db2.gz HXMHHKVMFINLHE-IRXDYDNUSA-N 2 2 300.402 1.651 20 30 DDEDLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328951730 410019940 /nfs/dbraw/zinc/01/99/40/410019940.db2.gz NQLDKOWKKHTUEG-AWEZNQCLSA-N 2 2 320.437 1.637 20 30 DDEDLP O=C(CCc1[nH]cc[nH+]1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329248808 410189952 /nfs/dbraw/zinc/18/99/52/410189952.db2.gz SRCPMKMRGJMHAC-OAHLLOKOSA-N 2 2 324.450 1.507 20 30 DDEDLP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329488202 410324267 /nfs/dbraw/zinc/32/42/67/410324267.db2.gz YAHCGNHSBQBHCV-ZDUSSCGKSA-N 2 2 303.410 1.388 20 30 DDEDLP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329488202 410324274 /nfs/dbraw/zinc/32/42/74/410324274.db2.gz YAHCGNHSBQBHCV-ZDUSSCGKSA-N 2 2 303.410 1.388 20 30 DDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638524468 422961832 /nfs/dbraw/zinc/96/18/32/422961832.db2.gz OMTFZSYSAWAKSV-UHFFFAOYSA-N 2 2 303.406 1.983 20 30 DDEDLP CCCc1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000267018014 222366097 /nfs/dbraw/zinc/36/60/97/222366097.db2.gz PQZNFRSBEMYYLV-UHFFFAOYSA-N 2 2 317.393 1.921 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)C1CC1 ZINC000369600573 418735313 /nfs/dbraw/zinc/73/53/13/418735313.db2.gz SAWNAKUIJDEVGV-GFOCRRMGSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)C1CC1 ZINC000369600573 418735315 /nfs/dbraw/zinc/73/53/15/418735315.db2.gz SAWNAKUIJDEVGV-GFOCRRMGSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)C1CC1 ZINC000369600573 418735316 /nfs/dbraw/zinc/73/53/16/418735316.db2.gz SAWNAKUIJDEVGV-GFOCRRMGSA-N 2 2 316.449 1.211 20 30 DDEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)C1CC1 ZINC000369600573 418735317 /nfs/dbraw/zinc/73/53/17/418735317.db2.gz SAWNAKUIJDEVGV-GFOCRRMGSA-N 2 2 316.449 1.211 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414828 418765967 /nfs/dbraw/zinc/76/59/67/418765967.db2.gz RXELLHGIYUJKEM-IKGGRYGDSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414828 418765969 /nfs/dbraw/zinc/76/59/69/418765969.db2.gz RXELLHGIYUJKEM-IKGGRYGDSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414828 418765971 /nfs/dbraw/zinc/76/59/71/418765971.db2.gz RXELLHGIYUJKEM-IKGGRYGDSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414828 418765972 /nfs/dbraw/zinc/76/59/72/418765972.db2.gz RXELLHGIYUJKEM-IKGGRYGDSA-N 2 2 303.450 1.603 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363709520 418768415 /nfs/dbraw/zinc/76/84/15/418768415.db2.gz CDEDLDICBJGZMD-CAOSSQGBSA-N 2 2 309.454 1.156 20 30 DDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363709520 418768418 /nfs/dbraw/zinc/76/84/18/418768418.db2.gz CDEDLDICBJGZMD-CAOSSQGBSA-N 2 2 309.454 1.156 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491816012 421204155 /nfs/dbraw/zinc/20/41/55/421204155.db2.gz VUSSKUZJFLMHBF-KRWDZBQOSA-N 2 2 323.481 1.195 20 30 DDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000563360439 421491249 /nfs/dbraw/zinc/49/12/49/421491249.db2.gz KMNVHOUOAFNGIC-UHFFFAOYSA-N 2 2 317.433 1.762 20 30 DDEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568254605 421618292 /nfs/dbraw/zinc/61/82/92/421618292.db2.gz FDADPRBIMINKKU-HOTGVXAUSA-N 2 2 303.406 1.176 20 30 DDEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000568254605 421618297 /nfs/dbraw/zinc/61/82/97/421618297.db2.gz FDADPRBIMINKKU-HOTGVXAUSA-N 2 2 303.406 1.176 20 30 DDEDLP CC(C)[C@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475732 421791815 /nfs/dbraw/zinc/79/18/15/421791815.db2.gz RIUVTSXJOUJOKA-MSOLQXFVSA-N 2 2 324.513 1.683 20 30 DDEDLP CC(C)[C@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCCCCC1 ZINC000572475732 421791819 /nfs/dbraw/zinc/79/18/19/421791819.db2.gz RIUVTSXJOUJOKA-MSOLQXFVSA-N 2 2 324.513 1.683 20 30 DDEDLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C ZINC000516663860 268082496 /nfs/dbraw/zinc/08/24/96/268082496.db2.gz DCNGRSLTZLALFL-KRWDZBQOSA-N 2 2 323.400 1.885 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330190916 278185057 /nfs/dbraw/zinc/18/50/57/278185057.db2.gz MRTLFQWAYZKEKX-KGLIPLIRSA-N 2 2 305.426 1.576 20 30 DDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330190916 278185058 /nfs/dbraw/zinc/18/50/58/278185058.db2.gz MRTLFQWAYZKEKX-KGLIPLIRSA-N 2 2 305.426 1.576 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119358233 289113221 /nfs/dbraw/zinc/11/32/21/289113221.db2.gz HDNNUOHLWOSPKI-CQSZACIVSA-N 2 2 303.410 1.139 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329757519 295384299 /nfs/dbraw/zinc/38/42/99/295384299.db2.gz ZKGFBMZORARQMA-KGLIPLIRSA-N 2 2 317.437 1.741 20 30 DDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329757519 295384301 /nfs/dbraw/zinc/38/43/01/295384301.db2.gz ZKGFBMZORARQMA-KGLIPLIRSA-N 2 2 317.437 1.741 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433165 341293428 /nfs/dbraw/zinc/29/34/28/341293428.db2.gz OZWQFLFETAKFEV-HOTGVXAUSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433165 341293429 /nfs/dbraw/zinc/29/34/29/341293429.db2.gz OZWQFLFETAKFEV-HOTGVXAUSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433165 341293430 /nfs/dbraw/zinc/29/34/30/341293430.db2.gz OZWQFLFETAKFEV-HOTGVXAUSA-N 2 2 319.453 1.304 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000245433165 341293431 /nfs/dbraw/zinc/29/34/31/341293431.db2.gz OZWQFLFETAKFEV-HOTGVXAUSA-N 2 2 319.453 1.304 20 30 DDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C(N)=O)O1 ZINC000329892668 534450235 /nfs/dbraw/zinc/45/02/35/534450235.db2.gz AKNAQTPBBNIGAR-BXUZGUMPSA-N 2 2 324.425 1.194 20 30 DDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C(N)=O)O1 ZINC000329892668 534450241 /nfs/dbraw/zinc/45/02/41/534450241.db2.gz AKNAQTPBBNIGAR-BXUZGUMPSA-N 2 2 324.425 1.194 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)CCC2 ZINC000330420921 534510729 /nfs/dbraw/zinc/51/07/29/534510729.db2.gz ZKMGKGQDRFTUSM-AWEZNQCLSA-N 2 2 307.442 1.913 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)CCC2 ZINC000330420921 534510732 /nfs/dbraw/zinc/51/07/32/534510732.db2.gz ZKMGKGQDRFTUSM-AWEZNQCLSA-N 2 2 307.442 1.913 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491220016 526933260 /nfs/dbraw/zinc/93/32/60/526933260.db2.gz JIVMHEIYJJLHOY-UHFFFAOYSA-N 2 2 323.400 1.610 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000491473294 526949392 /nfs/dbraw/zinc/94/93/92/526949392.db2.gz CCPCGRTZBGDNPS-ZDUSSCGKSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000491473294 526949397 /nfs/dbraw/zinc/94/93/97/526949397.db2.gz CCPCGRTZBGDNPS-ZDUSSCGKSA-N 2 2 317.355 1.038 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000490925398 526949820 /nfs/dbraw/zinc/94/98/20/526949820.db2.gz VSJLXNQQLHOKAP-CYBMUJFWSA-N 2 2 321.371 1.393 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000491662948 526982438 /nfs/dbraw/zinc/98/24/38/526982438.db2.gz RSSJWIWSDDZEHQ-GOSISDBHSA-N 2 2 313.445 1.552 20 30 DDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000491662948 526982442 /nfs/dbraw/zinc/98/24/42/526982442.db2.gz RSSJWIWSDDZEHQ-GOSISDBHSA-N 2 2 313.445 1.552 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337681428 528689286 /nfs/dbraw/zinc/68/92/86/528689286.db2.gz NMFPCTUUFVNDKB-OAHLLOKOSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337681428 528689289 /nfs/dbraw/zinc/68/92/89/528689289.db2.gz NMFPCTUUFVNDKB-OAHLLOKOSA-N 2 2 308.470 1.799 20 30 DDEDLP CCN1CCN(C(=O)N[C@H](C)CC[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331036239 529107337 /nfs/dbraw/zinc/10/73/37/529107337.db2.gz NFFBEXWXHXIHMT-ZIAGYGMSSA-N 2 2 322.457 1.343 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274178 696724989 /nfs/dbraw/zinc/72/49/89/696724989.db2.gz MIHWOGSAEWHNDB-XHSDSOJGSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980274178 696724990 /nfs/dbraw/zinc/72/49/90/696724990.db2.gz MIHWOGSAEWHNDB-XHSDSOJGSA-N 2 2 302.422 1.676 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401512 696376897 /nfs/dbraw/zinc/37/68/97/696376897.db2.gz DCMHTHCINNYIBD-FPCVCCKLSA-N 2 2 314.433 1.316 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401512 696376899 /nfs/dbraw/zinc/37/68/99/696376899.db2.gz DCMHTHCINNYIBD-FPCVCCKLSA-N 2 2 314.433 1.316 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1C[C@H](C)C[C@H](C)C1 ZINC000088240688 696569552 /nfs/dbraw/zinc/56/95/52/696569552.db2.gz UYAZQTAVTSSHSL-PBWFPOADSA-N 2 2 320.485 1.976 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183705 696702784 /nfs/dbraw/zinc/70/27/84/696702784.db2.gz PJUGZXCBJMHBID-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000980183705 696702787 /nfs/dbraw/zinc/70/27/87/696702787.db2.gz PJUGZXCBJMHBID-ZNMIVQPWSA-N 2 2 302.422 1.745 20 30 DDEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042606 697012189 /nfs/dbraw/zinc/01/21/89/697012189.db2.gz OVZBLEWDHWXOBQ-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000982042606 697012190 /nfs/dbraw/zinc/01/21/90/697012190.db2.gz OVZBLEWDHWXOBQ-INIZCTEOSA-N 2 2 314.433 1.782 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000981161744 697022335 /nfs/dbraw/zinc/02/23/35/697022335.db2.gz DOOBQFRSHXUNNB-UHFFFAOYSA-N 2 2 310.401 1.814 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000981161744 697022337 /nfs/dbraw/zinc/02/23/37/697022337.db2.gz DOOBQFRSHXUNNB-UHFFFAOYSA-N 2 2 310.401 1.814 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271415 697052770 /nfs/dbraw/zinc/05/27/70/697052770.db2.gz URQZTLXWGRNCRL-UHFFFAOYSA-N 2 2 305.447 1.591 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000981271415 697052773 /nfs/dbraw/zinc/05/27/73/697052773.db2.gz URQZTLXWGRNCRL-UHFFFAOYSA-N 2 2 305.447 1.591 20 30 DDEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472696 697105223 /nfs/dbraw/zinc/10/52/23/697105223.db2.gz OTVZKPJGLKWZNY-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000981472696 697105226 /nfs/dbraw/zinc/10/52/26/697105226.db2.gz OTVZKPJGLKWZNY-OAHLLOKOSA-N 2 2 302.422 1.556 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476835 697106694 /nfs/dbraw/zinc/10/66/94/697106694.db2.gz HOUNUDBIAIODHX-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000981476835 697106697 /nfs/dbraw/zinc/10/66/97/697106697.db2.gz HOUNUDBIAIODHX-OAHLLOKOSA-N 2 2 300.406 1.003 20 30 DDEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772346 697177874 /nfs/dbraw/zinc/17/78/74/697177874.db2.gz IORVAGSHTXLNLJ-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982772346 697177875 /nfs/dbraw/zinc/17/78/75/697177875.db2.gz IORVAGSHTXLNLJ-HDICACEKSA-N 2 2 316.449 1.709 20 30 DDEDLP C#CCC[N@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000983589410 697282275 /nfs/dbraw/zinc/28/22/75/697282275.db2.gz BOJHGHHNDGSODY-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP C#CCC[N@@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000983589410 697282276 /nfs/dbraw/zinc/28/22/76/697282276.db2.gz BOJHGHHNDGSODY-UHFFFAOYSA-N 2 2 323.400 1.439 20 30 DDEDLP Cc1[nH+]c(C=NNCCC[NH+]2CCOCC2)c2ccccn12 ZINC000799490405 700145815 /nfs/dbraw/zinc/14/58/15/700145815.db2.gz BXNOPTXOIXJMKR-UHFFFAOYSA-N 2 2 301.394 1.289 20 30 DDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000763233744 700930391 /nfs/dbraw/zinc/93/03/91/700930391.db2.gz NRCQSSKNVBHJOZ-RVKKMQEKSA-N 2 2 317.433 1.681 20 30 DDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000763233744 700930393 /nfs/dbraw/zinc/93/03/93/700930393.db2.gz NRCQSSKNVBHJOZ-RVKKMQEKSA-N 2 2 317.433 1.681 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000766493271 701053841 /nfs/dbraw/zinc/05/38/41/701053841.db2.gz GQLPKOWWWYQYNJ-INIZCTEOSA-N 2 2 312.417 1.136 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000766493271 701053842 /nfs/dbraw/zinc/05/38/42/701053842.db2.gz GQLPKOWWWYQYNJ-INIZCTEOSA-N 2 2 312.417 1.136 20 30 DDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876709504 705831364 /nfs/dbraw/zinc/83/13/64/705831364.db2.gz SPVQLGYYCZALDC-OAHLLOKOSA-N 2 2 323.824 1.927 20 30 DDEDLP Cc1nc(C#N)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881972744 707450014 /nfs/dbraw/zinc/45/00/14/707450014.db2.gz CNHAYBIEVIBJMF-INIZCTEOSA-N 2 2 314.437 1.261 20 30 DDEDLP Cc1nc(C#N)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881972744 707450015 /nfs/dbraw/zinc/45/00/15/707450015.db2.gz CNHAYBIEVIBJMF-INIZCTEOSA-N 2 2 314.437 1.261 20 30 DDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1Cc3ccccc3C1)C2 ZINC000884200125 708185387 /nfs/dbraw/zinc/18/53/87/708185387.db2.gz TVQILNNMSMQCKO-TVRKMHQQSA-N 2 2 324.428 1.258 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923411634 714347136 /nfs/dbraw/zinc/34/71/36/714347136.db2.gz OIVNYCXRBKNZDN-HZPDHXFCSA-N 2 2 303.406 1.501 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923411634 714347138 /nfs/dbraw/zinc/34/71/38/714347138.db2.gz OIVNYCXRBKNZDN-HZPDHXFCSA-N 2 2 303.406 1.501 20 30 DDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000923582768 714416075 /nfs/dbraw/zinc/41/60/75/714416075.db2.gz KVWYMVQXUNOMLX-HNNXBMFYSA-N 2 2 317.433 1.949 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000923582768 714416076 /nfs/dbraw/zinc/41/60/76/714416076.db2.gz KVWYMVQXUNOMLX-HNNXBMFYSA-N 2 2 317.433 1.949 20 30 DDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063119 717459082 /nfs/dbraw/zinc/45/90/82/717459082.db2.gz CNWKLNQMCPCEJM-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063119 717459084 /nfs/dbraw/zinc/45/90/84/717459084.db2.gz CNWKLNQMCPCEJM-ZBFHGGJFSA-N 2 2 316.449 1.775 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948570660 719554599 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DDEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447859 735243544 /nfs/dbraw/zinc/24/35/44/735243544.db2.gz YUJCFQRQUXZQIN-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447859 735243541 /nfs/dbraw/zinc/24/35/41/735243541.db2.gz YUJCFQRQUXZQIN-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035252995 751358219 /nfs/dbraw/zinc/35/82/19/751358219.db2.gz WIFWUTFLAYXFNZ-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035252995 751358227 /nfs/dbraw/zinc/35/82/27/751358227.db2.gz WIFWUTFLAYXFNZ-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001024487671 735865213 /nfs/dbraw/zinc/86/52/13/735865213.db2.gz ROJZZGAPCPPYMQ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001024487671 735865218 /nfs/dbraw/zinc/86/52/18/735865218.db2.gz ROJZZGAPCPPYMQ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001024487671 735865222 /nfs/dbraw/zinc/86/52/22/735865222.db2.gz ROJZZGAPCPPYMQ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001024487671 735865226 /nfs/dbraw/zinc/86/52/26/735865226.db2.gz ROJZZGAPCPPYMQ-IRXDYDNUSA-N 2 2 301.434 1.078 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511381 735886413 /nfs/dbraw/zinc/88/64/13/735886413.db2.gz GRWPIAMSNFRBTH-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001024511381 735886415 /nfs/dbraw/zinc/88/64/15/735886415.db2.gz GRWPIAMSNFRBTH-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514961 735890874 /nfs/dbraw/zinc/89/08/74/735890874.db2.gz JHEXIULCQZJQEA-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001024514961 735890877 /nfs/dbraw/zinc/89/08/77/735890877.db2.gz JHEXIULCQZJQEA-HZPDHXFCSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024659218 736008229 /nfs/dbraw/zinc/00/82/29/736008229.db2.gz BIFQBPACNVKDID-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001024659218 736008230 /nfs/dbraw/zinc/00/82/30/736008230.db2.gz BIFQBPACNVKDID-RRFJBIMHSA-N 2 2 300.406 1.128 20 30 DDEDLP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087310013 736039930 /nfs/dbraw/zinc/03/99/30/736039930.db2.gz PMADDCBIVFYBTG-DAXOMENPSA-N 2 2 300.406 1.191 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237857 736385345 /nfs/dbraw/zinc/38/53/45/736385345.db2.gz PIKKWSOWKXQKSK-DLBZAZTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237857 736385347 /nfs/dbraw/zinc/38/53/47/736385347.db2.gz PIKKWSOWKXQKSK-DLBZAZTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237857 736385350 /nfs/dbraw/zinc/38/53/50/736385350.db2.gz PIKKWSOWKXQKSK-DLBZAZTESA-N 2 2 314.433 1.821 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237857 736385353 /nfs/dbraw/zinc/38/53/53/736385353.db2.gz PIKKWSOWKXQKSK-DLBZAZTESA-N 2 2 314.433 1.821 20 30 DDEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104955129 737408885 /nfs/dbraw/zinc/40/88/85/737408885.db2.gz LHFOIBYKSLMOLR-UKRRQHHQSA-N 2 2 304.438 1.911 20 30 DDEDLP C#CC[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001026514733 737628786 /nfs/dbraw/zinc/62/87/86/737628786.db2.gz PWJDQBGVLHYSBA-UHFFFAOYSA-N 2 2 301.390 1.283 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468641 738322189 /nfs/dbraw/zinc/32/21/89/738322189.db2.gz MUGYPISSTICRIZ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001027468641 738322190 /nfs/dbraw/zinc/32/21/90/738322190.db2.gz MUGYPISSTICRIZ-HOTGVXAUSA-N 2 2 316.449 1.944 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=C)Cl)CC1 ZINC001028333210 739365992 /nfs/dbraw/zinc/36/59/92/739365992.db2.gz GDCQLANGPSRWGX-INIZCTEOSA-N 2 2 323.868 1.665 20 30 DDEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)Cl)CC1 ZINC001028333210 739365996 /nfs/dbraw/zinc/36/59/96/739365996.db2.gz GDCQLANGPSRWGX-INIZCTEOSA-N 2 2 323.868 1.665 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441673 740682410 /nfs/dbraw/zinc/68/24/10/740682410.db2.gz DEXPYXGICUPCQI-HUUCEWRRSA-N 2 2 318.421 1.172 20 30 DDEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001037960824 751596090 /nfs/dbraw/zinc/59/60/90/751596090.db2.gz GUHKLCSOQGLDSK-HOCLYGCPSA-N 2 2 302.422 1.203 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107982596 751665676 /nfs/dbraw/zinc/66/56/76/751665676.db2.gz WJYXJOXCOOHAFW-SJLPKXTDSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982596 751665680 /nfs/dbraw/zinc/66/56/80/751665680.db2.gz WJYXJOXCOOHAFW-SJLPKXTDSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982596 751665686 /nfs/dbraw/zinc/66/56/86/751665686.db2.gz WJYXJOXCOOHAFW-SJLPKXTDSA-N 2 2 321.465 1.091 20 30 DDEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982596 751665691 /nfs/dbraw/zinc/66/56/91/751665691.db2.gz WJYXJOXCOOHAFW-SJLPKXTDSA-N 2 2 321.465 1.091 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001032621096 751675598 /nfs/dbraw/zinc/67/55/98/751675598.db2.gz QXDWOCXVPMXKCU-MELADBBJSA-N 2 2 300.406 1.691 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001032621096 751675600 /nfs/dbraw/zinc/67/56/00/751675600.db2.gz QXDWOCXVPMXKCU-MELADBBJSA-N 2 2 300.406 1.691 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C ZINC001088631496 742028785 /nfs/dbraw/zinc/02/87/85/742028785.db2.gz NSRBYRWYPAHIHS-PVAVHDDUSA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088631496 742028790 /nfs/dbraw/zinc/02/87/90/742028790.db2.gz NSRBYRWYPAHIHS-PVAVHDDUSA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088631496 742028796 /nfs/dbraw/zinc/02/87/96/742028796.db2.gz NSRBYRWYPAHIHS-PVAVHDDUSA-N 2 2 303.450 1.463 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088631496 742028801 /nfs/dbraw/zinc/02/88/01/742028801.db2.gz NSRBYRWYPAHIHS-PVAVHDDUSA-N 2 2 303.450 1.463 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343904 742677348 /nfs/dbraw/zinc/67/73/48/742677348.db2.gz UPHKSAANYBKJDP-IJEWVQPXSA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001076343904 742677351 /nfs/dbraw/zinc/67/73/51/742677351.db2.gz UPHKSAANYBKJDP-IJEWVQPXSA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343904 742677354 /nfs/dbraw/zinc/67/73/54/742677354.db2.gz UPHKSAANYBKJDP-IJEWVQPXSA-N 2 2 300.406 1.144 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076343904 742677359 /nfs/dbraw/zinc/67/73/59/742677359.db2.gz UPHKSAANYBKJDP-IJEWVQPXSA-N 2 2 300.406 1.144 20 30 DDEDLP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001181952366 743407882 /nfs/dbraw/zinc/40/78/82/743407882.db2.gz WJUSCOGVRVMRBA-IIDMSEBBSA-N 2 2 316.449 1.706 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001035753404 751838597 /nfs/dbraw/zinc/83/85/97/751838597.db2.gz VEEVWNQSDRYCHS-UHFFFAOYSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035750661 751863930 /nfs/dbraw/zinc/86/39/30/751863930.db2.gz QDZGHNCAOXVMRZ-UHFFFAOYSA-N 2 2 300.406 1.139 20 30 DDEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CC2 ZINC001035794109 751880396 /nfs/dbraw/zinc/88/03/96/751880396.db2.gz XAPWPGDCEKWEKI-CQSZACIVSA-N 2 2 314.433 1.940 20 30 DDEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491761 744236033 /nfs/dbraw/zinc/23/60/33/744236033.db2.gz JLWSGEUDUHVKSV-HUUCEWRRSA-N 2 2 316.449 1.785 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185594916 744255599 /nfs/dbraw/zinc/25/55/99/744255599.db2.gz LMCWWGJBGWFKHG-HOTGVXAUSA-N 2 2 316.449 1.450 20 30 DDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868093 744294486 /nfs/dbraw/zinc/29/44/86/744294486.db2.gz KIOBSKALIIHXFH-TUVASFSCSA-N 2 2 300.406 1.126 20 30 DDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088868093 744294489 /nfs/dbraw/zinc/29/44/89/744294489.db2.gz KIOBSKALIIHXFH-TUVASFSCSA-N 2 2 300.406 1.126 20 30 DDEDLP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035835371 751931538 /nfs/dbraw/zinc/93/15/38/751931538.db2.gz PGJGSILWNIERDS-UHFFFAOYSA-N 2 2 323.868 1.759 20 30 DDEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992396534 744851950 /nfs/dbraw/zinc/85/19/50/744851950.db2.gz MMBYBQDUGIQXJX-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992396534 744851952 /nfs/dbraw/zinc/85/19/52/744851952.db2.gz MMBYBQDUGIQXJX-DOTOQJQBSA-N 2 2 302.422 1.652 20 30 DDEDLP C[N@H+](CCNC(=[NH2+])NC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000176397921 744895603 /nfs/dbraw/zinc/89/56/03/744895603.db2.gz IAPSRNHEFFQLBV-OAHLLOKOSA-N 2 2 308.401 1.341 20 30 DDEDLP C[N@@H+](CCNC(=[NH2+])NC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000176397921 744895606 /nfs/dbraw/zinc/89/56/06/744895606.db2.gz IAPSRNHEFFQLBV-OAHLLOKOSA-N 2 2 308.401 1.341 20 30 DDEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189874672 745010743 /nfs/dbraw/zinc/01/07/43/745010743.db2.gz NHAVTULBANWSHG-AWEZNQCLSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189874672 745010748 /nfs/dbraw/zinc/01/07/48/745010748.db2.gz NHAVTULBANWSHG-AWEZNQCLSA-N 2 2 306.410 1.078 20 30 DDEDLP C#CCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463395 745288523 /nfs/dbraw/zinc/28/85/23/745288523.db2.gz SAJNVJIDZHKSQX-UHFFFAOYSA-N 2 2 302.422 1.563 20 30 DDEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900046 745355253 /nfs/dbraw/zinc/35/52/53/745355253.db2.gz NIYWABCBRRQGPN-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900046 745355261 /nfs/dbraw/zinc/35/52/61/745355261.db2.gz NIYWABCBRRQGPN-OAHLLOKOSA-N 2 2 302.422 1.483 20 30 DDEDLP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001191534088 745536860 /nfs/dbraw/zinc/53/68/60/745536860.db2.gz YIFFYVTWVMPJMG-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001191534088 745536865 /nfs/dbraw/zinc/53/68/65/745536865.db2.gz YIFFYVTWVMPJMG-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191534088 745536866 /nfs/dbraw/zinc/53/68/66/745536866.db2.gz YIFFYVTWVMPJMG-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001191534088 745536869 /nfs/dbraw/zinc/53/68/69/745536869.db2.gz YIFFYVTWVMPJMG-DLBZAZTESA-N 2 2 323.481 1.596 20 30 DDEDLP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292694 745746213 /nfs/dbraw/zinc/74/62/13/745746213.db2.gz BCBZDHTVPBZUGR-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292694 745746216 /nfs/dbraw/zinc/74/62/16/745746216.db2.gz BCBZDHTVPBZUGR-KBPBESRZSA-N 2 2 302.422 1.938 20 30 DDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267498 746554296 /nfs/dbraw/zinc/55/42/96/746554296.db2.gz KFCDGSDODPKLAO-HOCLYGCPSA-N 2 2 314.433 1.754 20 30 DDEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381237 752119300 /nfs/dbraw/zinc/11/93/00/752119300.db2.gz CMMDFEBZGYFRSG-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007381237 752119303 /nfs/dbraw/zinc/11/93/03/752119303.db2.gz CMMDFEBZGYFRSG-AWEZNQCLSA-N 2 2 302.422 1.529 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538436 747178370 /nfs/dbraw/zinc/17/83/70/747178370.db2.gz BTSLGQVUJJQFPX-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538436 747178374 /nfs/dbraw/zinc/17/83/74/747178374.db2.gz BTSLGQVUJJQFPX-HNNXBMFYSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C ZINC001089652672 747575426 /nfs/dbraw/zinc/57/54/26/747575426.db2.gz ITDGKRYIZKHFOW-SJORKVTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C ZINC001089652672 747575431 /nfs/dbraw/zinc/57/54/31/747575431.db2.gz ITDGKRYIZKHFOW-SJORKVTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C ZINC001089652672 747575435 /nfs/dbraw/zinc/57/54/35/747575435.db2.gz ITDGKRYIZKHFOW-SJORKVTESA-N 2 2 317.477 1.877 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C ZINC001089652672 747575441 /nfs/dbraw/zinc/57/54/41/747575441.db2.gz ITDGKRYIZKHFOW-SJORKVTESA-N 2 2 317.477 1.877 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200954548 748388984 /nfs/dbraw/zinc/38/89/84/748388984.db2.gz CUHNPGZOCNNYFM-CQSZACIVSA-N 2 2 314.389 1.341 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201041609 748404988 /nfs/dbraw/zinc/40/49/88/748404988.db2.gz DPNYZINRPRIBEB-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001201320966 748477016 /nfs/dbraw/zinc/47/70/16/748477016.db2.gz DBMWVJOKRIOINN-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114485760 749271153 /nfs/dbraw/zinc/27/11/53/749271153.db2.gz JWQUXUMUUOUUIJ-LJIGWXMPSA-N 2 2 314.433 1.458 20 30 DDEDLP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001114485760 749271157 /nfs/dbraw/zinc/27/11/57/749271157.db2.gz JWQUXUMUUOUUIJ-LJIGWXMPSA-N 2 2 314.433 1.458 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC000996399775 749557158 /nfs/dbraw/zinc/55/71/58/749557158.db2.gz SNVJNTWCPDQIEN-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996399775 749557163 /nfs/dbraw/zinc/55/71/63/749557163.db2.gz SNVJNTWCPDQIEN-HIFRSBDPSA-N 2 2 304.438 1.991 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405605 762005102 /nfs/dbraw/zinc/00/51/02/762005102.db2.gz CJRKENNJVXSPAE-CVEARBPZSA-N 2 2 300.406 1.280 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405605 762005111 /nfs/dbraw/zinc/00/51/11/762005111.db2.gz CJRKENNJVXSPAE-CVEARBPZSA-N 2 2 300.406 1.280 20 30 DDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468724 750445938 /nfs/dbraw/zinc/44/59/38/750445938.db2.gz TVZLXVJCNFTUOZ-MRXNPFEDSA-N 2 2 323.400 1.485 20 30 DDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468724 750445946 /nfs/dbraw/zinc/44/59/46/750445946.db2.gz TVZLXVJCNFTUOZ-MRXNPFEDSA-N 2 2 323.400 1.485 20 30 DDEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005618804 750710169 /nfs/dbraw/zinc/71/01/69/750710169.db2.gz UPIWBBHSHVXLDY-OAHLLOKOSA-N 2 2 316.449 1.944 20 30 DDEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606625 750829785 /nfs/dbraw/zinc/82/97/85/750829785.db2.gz HITIRYJBBDVKNS-OIPACUDHSA-N 2 2 316.449 1.754 20 30 DDEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606625 750829793 /nfs/dbraw/zinc/82/97/93/750829793.db2.gz HITIRYJBBDVKNS-OIPACUDHSA-N 2 2 316.449 1.754 20 30 DDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999004683 752445420 /nfs/dbraw/zinc/44/54/20/752445420.db2.gz JQIDARVQEKKNFR-NFOMZHRRSA-N 2 2 302.422 1.601 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040494739 752621313 /nfs/dbraw/zinc/62/13/13/752621313.db2.gz ZHJKLWNXRBAZQN-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040494739 752621319 /nfs/dbraw/zinc/62/13/19/752621319.db2.gz ZHJKLWNXRBAZQN-SFHVURJKSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039648515 762146775 /nfs/dbraw/zinc/14/67/75/762146775.db2.gz QZBZUHSSHWUTHA-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039648515 762146777 /nfs/dbraw/zinc/14/67/77/762146777.db2.gz QZBZUHSSHWUTHA-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001039648515 762146779 /nfs/dbraw/zinc/14/67/79/762146779.db2.gz QZBZUHSSHWUTHA-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039648515 762146781 /nfs/dbraw/zinc/14/67/81/762146781.db2.gz QZBZUHSSHWUTHA-KSZLIROESA-N 2 2 315.461 1.559 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036703071 753499066 /nfs/dbraw/zinc/49/90/66/753499066.db2.gz WKUAHUHZHACQKJ-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036703071 753499070 /nfs/dbraw/zinc/49/90/70/753499070.db2.gz WKUAHUHZHACQKJ-CABCVRRESA-N 2 2 300.406 1.288 20 30 DDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369481 753821381 /nfs/dbraw/zinc/82/13/81/753821381.db2.gz LAGVSNKSCLEFDW-SWLSCSKDSA-N 2 2 318.446 1.404 20 30 DDEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001010369481 753821387 /nfs/dbraw/zinc/82/13/87/753821387.db2.gz LAGVSNKSCLEFDW-SWLSCSKDSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010369481 753821391 /nfs/dbraw/zinc/82/13/91/753821391.db2.gz LAGVSNKSCLEFDW-SWLSCSKDSA-N 2 2 318.446 1.404 20 30 DDEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010369481 753821396 /nfs/dbraw/zinc/82/13/96/753821396.db2.gz LAGVSNKSCLEFDW-SWLSCSKDSA-N 2 2 318.446 1.404 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000868784 762283357 /nfs/dbraw/zinc/28/33/57/762283357.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 2 314.433 1.757 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000868784 762283362 /nfs/dbraw/zinc/28/33/62/762283362.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 2 314.433 1.757 20 30 DDEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001000868784 762283369 /nfs/dbraw/zinc/28/33/69/762283369.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 2 314.433 1.757 20 30 DDEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001000868784 762283375 /nfs/dbraw/zinc/28/33/75/762283375.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 2 314.433 1.757 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993626 755668925 /nfs/dbraw/zinc/66/89/25/755668925.db2.gz SXZOEJLGUXGJAK-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001079993626 755668927 /nfs/dbraw/zinc/66/89/27/755668927.db2.gz SXZOEJLGUXGJAK-SUYBPPKGSA-N 2 2 314.433 1.283 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014490080 755757080 /nfs/dbraw/zinc/75/70/80/755757080.db2.gz DWKRSFPSGLDEME-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014490080 755757083 /nfs/dbraw/zinc/75/70/83/755757083.db2.gz DWKRSFPSGLDEME-CQSZACIVSA-N 2 2 302.422 1.529 20 30 DDEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040177797 762426660 /nfs/dbraw/zinc/42/66/60/762426660.db2.gz ALGCCNVCQCKXOY-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040177797 762426665 /nfs/dbraw/zinc/42/66/65/762426665.db2.gz ALGCCNVCQCKXOY-KRWDZBQOSA-N 2 2 300.406 1.290 20 30 DDEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001080715752 756065554 /nfs/dbraw/zinc/06/55/54/756065554.db2.gz HEKGCNUTRIKTJC-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001080715752 756065559 /nfs/dbraw/zinc/06/55/59/756065559.db2.gz HEKGCNUTRIKTJC-RHSMWYFYSA-N 2 2 323.400 1.341 20 30 DDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001001004628 762460768 /nfs/dbraw/zinc/46/07/68/762460768.db2.gz IZPFFUKRJUIGFS-IRXDYDNUSA-N 2 2 316.449 1.841 20 30 DDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603221 756863306 /nfs/dbraw/zinc/86/33/06/756863306.db2.gz PHYGPUBFRBWPNM-RBSFLKMASA-N 2 2 302.422 1.458 20 30 DDEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372471 757117453 /nfs/dbraw/zinc/11/74/53/757117453.db2.gz CRPPAJYKOCMDBP-XNISGKROSA-N 2 2 300.406 1.353 20 30 DDEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001097372471 757117455 /nfs/dbraw/zinc/11/74/55/757117455.db2.gz CRPPAJYKOCMDBP-XNISGKROSA-N 2 2 300.406 1.353 20 30 DDEDLP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001097361878 757123116 /nfs/dbraw/zinc/12/31/16/757123116.db2.gz GAWFCBFSXSHAAU-ABFRBSLYSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001097361878 757123119 /nfs/dbraw/zinc/12/31/19/757123119.db2.gz GAWFCBFSXSHAAU-ABFRBSLYSA-N 2 2 314.433 1.743 20 30 DDEDLP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040424147 762531725 /nfs/dbraw/zinc/53/17/25/762531725.db2.gz WUBVAEMJWXLGPR-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001040424147 762531728 /nfs/dbraw/zinc/53/17/28/762531728.db2.gz WUBVAEMJWXLGPR-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356066 757510586 /nfs/dbraw/zinc/51/05/86/757510586.db2.gz XZEVWWKSRGMHAQ-BZUAXINKSA-N 2 2 314.433 1.563 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356066 757510597 /nfs/dbraw/zinc/51/05/97/757510597.db2.gz XZEVWWKSRGMHAQ-BZUAXINKSA-N 2 2 314.433 1.563 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017696909 758160792 /nfs/dbraw/zinc/16/07/92/758160792.db2.gz VMMUWTOTZGOSII-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017696909 758160797 /nfs/dbraw/zinc/16/07/97/758160797.db2.gz VMMUWTOTZGOSII-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696909 758160801 /nfs/dbraw/zinc/16/08/01/758160801.db2.gz VMMUWTOTZGOSII-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696909 758160807 /nfs/dbraw/zinc/16/08/07/758160807.db2.gz VMMUWTOTZGOSII-BBWFWOEESA-N 2 2 305.466 1.968 20 30 DDEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045622 758179101 /nfs/dbraw/zinc/17/91/01/758179101.db2.gz BIJUTFMLDUKYEC-BBWFWOEESA-N 2 2 314.433 1.780 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045622 758179105 /nfs/dbraw/zinc/17/91/05/758179105.db2.gz BIJUTFMLDUKYEC-BBWFWOEESA-N 2 2 314.433 1.780 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124824 759197825 /nfs/dbraw/zinc/19/78/25/759197825.db2.gz ZSAQGPZIRHTZIZ-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001054124824 759197829 /nfs/dbraw/zinc/19/78/29/759197829.db2.gz ZSAQGPZIRHTZIZ-GOSISDBHSA-N 2 2 314.433 1.680 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054171792 759253016 /nfs/dbraw/zinc/25/30/16/759253016.db2.gz YFSIIPALTCFKNB-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001054171792 759253022 /nfs/dbraw/zinc/25/30/22/759253022.db2.gz YFSIIPALTCFKNB-GOSISDBHSA-N 2 2 314.433 1.300 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205843 759290306 /nfs/dbraw/zinc/29/03/06/759290306.db2.gz YPJXQPHDMHYACC-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001054205843 759290312 /nfs/dbraw/zinc/29/03/12/759290312.db2.gz YPJXQPHDMHYACC-QGZVFWFLSA-N 2 2 302.422 1.843 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001018877136 759359427 /nfs/dbraw/zinc/35/94/27/759359427.db2.gz NBOVZPGVBXNYMM-ZDUSSCGKSA-N 2 2 322.840 1.705 20 30 DDEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001019406645 759904208 /nfs/dbraw/zinc/90/42/08/759904208.db2.gz NDSJZZXSFRSLTL-YNEHKIRRSA-N 2 2 308.813 1.467 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639274 759911315 /nfs/dbraw/zinc/91/13/15/759911315.db2.gz LWBNNWFDAFOSNH-GJZGRUSLSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639274 759911321 /nfs/dbraw/zinc/91/13/21/759911321.db2.gz LWBNNWFDAFOSNH-GJZGRUSLSA-N 2 2 300.406 1.317 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864500 761487253 /nfs/dbraw/zinc/48/72/53/761487253.db2.gz HWVUNOXXZKTGJZ-MRXNPFEDSA-N 2 2 309.373 1.095 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038864500 761487255 /nfs/dbraw/zinc/48/72/55/761487255.db2.gz HWVUNOXXZKTGJZ-MRXNPFEDSA-N 2 2 309.373 1.095 20 30 DDEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041417626 763014518 /nfs/dbraw/zinc/01/45/18/763014518.db2.gz FRHJORGHECOZGT-CRAIPNDOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001041417626 763014525 /nfs/dbraw/zinc/01/45/25/763014525.db2.gz FRHJORGHECOZGT-CRAIPNDOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696809 763227922 /nfs/dbraw/zinc/22/79/22/763227922.db2.gz WBHRTYVZVMROHQ-RKVPGOIHSA-N 2 2 314.433 1.634 20 30 DDEDLP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041696809 763227933 /nfs/dbraw/zinc/22/79/33/763227933.db2.gz WBHRTYVZVMROHQ-RKVPGOIHSA-N 2 2 314.433 1.634 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116043 763670509 /nfs/dbraw/zinc/67/05/09/763670509.db2.gz GDYMDRQMTDZRKB-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116043 763670514 /nfs/dbraw/zinc/67/05/14/763670514.db2.gz GDYMDRQMTDZRKB-CXAGYDPISA-N 2 2 308.385 1.733 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042176656 763741996 /nfs/dbraw/zinc/74/19/96/763741996.db2.gz PTVHMYDGPHJTOB-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001042176656 763741998 /nfs/dbraw/zinc/74/19/98/763741998.db2.gz PTVHMYDGPHJTOB-HOTGVXAUSA-N 2 2 300.406 1.219 20 30 DDEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042355482 763956835 /nfs/dbraw/zinc/95/68/35/763956835.db2.gz MXMIVYLCMIEJAS-HUUCEWRRSA-N 2 2 322.840 1.867 20 30 DDEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042355482 763956843 /nfs/dbraw/zinc/95/68/43/763956843.db2.gz MXMIVYLCMIEJAS-HUUCEWRRSA-N 2 2 322.840 1.867 20 30 DDEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739499 764684154 /nfs/dbraw/zinc/68/41/54/764684154.db2.gz AAEIXOAUYVNLCI-INIZCTEOSA-N 2 2 311.470 1.432 20 30 DDEDLP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739499 764684159 /nfs/dbraw/zinc/68/41/59/764684159.db2.gz AAEIXOAUYVNLCI-INIZCTEOSA-N 2 2 311.470 1.432 20 30 DDEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001045482559 766340184 /nfs/dbraw/zinc/34/01/84/766340184.db2.gz FKIVDLCYFBGNJC-OAHLLOKOSA-N 2 2 316.449 1.992 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C(Cl)=C/Cl ZINC001129770423 766998300 /nfs/dbraw/zinc/99/83/00/766998300.db2.gz GHKNOTXVZYJVPC-MMRAYRKESA-N 2 2 304.221 1.109 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C(Cl)=C/Cl ZINC001129770423 766998305 /nfs/dbraw/zinc/99/83/05/766998305.db2.gz GHKNOTXVZYJVPC-MMRAYRKESA-N 2 2 304.221 1.109 20 30 DDEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130485078 767560683 /nfs/dbraw/zinc/56/06/83/767560683.db2.gz ZWKYWGAHSCEYPO-OAHLLOKOSA-N 2 2 304.438 1.898 20 30 DDEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434324 767562301 /nfs/dbraw/zinc/56/23/01/767562301.db2.gz LLYGVJJEDCRPQH-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001046434324 767562313 /nfs/dbraw/zinc/56/23/13/767562313.db2.gz LLYGVJJEDCRPQH-WMLDXEAASA-N 2 2 300.406 1.049 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434786 767562643 /nfs/dbraw/zinc/56/26/43/767562643.db2.gz RMTXHCGKSWGFBI-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434786 767562647 /nfs/dbraw/zinc/56/26/47/767562647.db2.gz RMTXHCGKSWGFBI-PBHICJAKSA-N 2 2 302.422 1.602 20 30 DDEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541569 768957176 /nfs/dbraw/zinc/95/71/76/768957176.db2.gz HLWJMCVCTBUSKB-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541569 768957178 /nfs/dbraw/zinc/95/71/78/768957178.db2.gz HLWJMCVCTBUSKB-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541569 768957180 /nfs/dbraw/zinc/95/71/80/768957180.db2.gz HLWJMCVCTBUSKB-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541569 768957181 /nfs/dbraw/zinc/95/71/81/768957181.db2.gz HLWJMCVCTBUSKB-AEFFLSMTSA-N 2 2 313.445 1.721 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132874071 769278406 /nfs/dbraw/zinc/27/84/06/769278406.db2.gz DARHMNYILACCOT-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132874071 769278413 /nfs/dbraw/zinc/27/84/13/769278413.db2.gz DARHMNYILACCOT-LSDHHAIUSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC=C ZINC001049528827 770982380 /nfs/dbraw/zinc/98/23/80/770982380.db2.gz IMKRASQMYGDPBI-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC=C ZINC001049528827 770982387 /nfs/dbraw/zinc/98/23/87/770982387.db2.gz IMKRASQMYGDPBI-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC=C ZINC001049528827 770982392 /nfs/dbraw/zinc/98/23/92/770982392.db2.gz IMKRASQMYGDPBI-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC=C ZINC001049528827 770982402 /nfs/dbraw/zinc/98/24/02/770982402.db2.gz IMKRASQMYGDPBI-BBWFWOEESA-N 2 2 301.434 1.335 20 30 DDEDLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001134498213 771028246 /nfs/dbraw/zinc/02/82/46/771028246.db2.gz APBKJQZYVFWCGC-AWEZNQCLSA-N 2 2 311.389 1.612 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049738286 771123493 /nfs/dbraw/zinc/12/34/93/771123493.db2.gz SXBNJRQKDWCJQH-KLHDSHLOSA-N 2 2 312.417 1.222 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049738286 771123494 /nfs/dbraw/zinc/12/34/94/771123494.db2.gz SXBNJRQKDWCJQH-KLHDSHLOSA-N 2 2 312.417 1.222 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866832 771218825 /nfs/dbraw/zinc/21/88/25/771218825.db2.gz KRUOVGQEGXQPJA-HOTGVXAUSA-N 2 2 300.406 1.349 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049866832 771218831 /nfs/dbraw/zinc/21/88/31/771218831.db2.gz KRUOVGQEGXQPJA-HOTGVXAUSA-N 2 2 300.406 1.349 20 30 DDEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869175 771220420 /nfs/dbraw/zinc/22/04/20/771220420.db2.gz DKHVKHZGTKDYBJ-IRXDYDNUSA-N 2 2 316.449 1.994 20 30 DDEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001049869175 771220424 /nfs/dbraw/zinc/22/04/24/771220424.db2.gz DKHVKHZGTKDYBJ-IRXDYDNUSA-N 2 2 316.449 1.994 20 30 DDEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672415 773574699 /nfs/dbraw/zinc/57/46/99/773574699.db2.gz GQCZQUJLNMCJLI-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672415 773574701 /nfs/dbraw/zinc/57/47/01/773574701.db2.gz GQCZQUJLNMCJLI-UHFFFAOYSA-N 2 2 302.422 1.761 20 30 DDEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001086952095 773741361 /nfs/dbraw/zinc/74/13/61/773741361.db2.gz AAMOWUOGJYKYMJ-HNNXBMFYSA-N 2 2 314.433 1.299 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086915 773940657 /nfs/dbraw/zinc/94/06/57/773940657.db2.gz XBIOJHAURQZFCP-DAYGRLMNSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001092086915 773940659 /nfs/dbraw/zinc/94/06/59/773940659.db2.gz XBIOJHAURQZFCP-DAYGRLMNSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086915 773940665 /nfs/dbraw/zinc/94/06/65/773940665.db2.gz XBIOJHAURQZFCP-DAYGRLMNSA-N 2 2 316.449 1.945 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092086915 773940670 /nfs/dbraw/zinc/94/06/70/773940670.db2.gz XBIOJHAURQZFCP-DAYGRLMNSA-N 2 2 316.449 1.945 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747312 774247813 /nfs/dbraw/zinc/24/78/13/774247813.db2.gz BSEYQJVCEDXWAI-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747312 774247817 /nfs/dbraw/zinc/24/78/17/774247817.db2.gz BSEYQJVCEDXWAI-BZUAXINKSA-N 2 2 316.449 1.706 20 30 DDEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771899 774563127 /nfs/dbraw/zinc/56/31/27/774563127.db2.gz OMPPKFXTHPCGOU-CABCVRRESA-N 2 2 308.385 1.504 20 30 DDEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]21 ZINC001036771899 774563130 /nfs/dbraw/zinc/56/31/30/774563130.db2.gz OMPPKFXTHPCGOU-CABCVRRESA-N 2 2 308.385 1.504 20 30 DDEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577742 776351736 /nfs/dbraw/zinc/35/17/36/776351736.db2.gz WEBSBLCSVLPORX-GJZGRUSLSA-N 2 2 302.422 1.343 20 30 DDEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171596102 776361836 /nfs/dbraw/zinc/36/18/36/776361836.db2.gz KLZXGTHXYJRWIX-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926682 778492206 /nfs/dbraw/zinc/49/22/06/778492206.db2.gz PLAKQPFHAOOLSM-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926682 778492208 /nfs/dbraw/zinc/49/22/08/778492208.db2.gz PLAKQPFHAOOLSM-HUUCEWRRSA-N 2 2 304.438 1.993 20 30 DDEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643786 778977316 /nfs/dbraw/zinc/97/73/16/778977316.db2.gz QEQLRRDJZCJHDP-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643786 778977321 /nfs/dbraw/zinc/97/73/21/778977321.db2.gz QEQLRRDJZCJHDP-HUUCEWRRSA-N 2 2 302.422 1.060 20 30 DDEDLP CC#CC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097094 779281881 /nfs/dbraw/zinc/28/18/81/779281881.db2.gz BAJYEOHEVOXCBE-UHFFFAOYSA-N 2 2 304.438 1.642 20 30 DDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386668 779749010 /nfs/dbraw/zinc/74/90/10/779749010.db2.gz GULXUYOMWGJDOP-YJBOKZPZSA-N 2 2 314.433 1.584 20 30 DDEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386668 779749015 /nfs/dbraw/zinc/74/90/15/779749015.db2.gz GULXUYOMWGJDOP-YJBOKZPZSA-N 2 2 314.433 1.584 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267170196 837460232 /nfs/dbraw/zinc/46/02/32/837460232.db2.gz GCQWBBXPJAZNFA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267170196 837460233 /nfs/dbraw/zinc/46/02/33/837460233.db2.gz GCQWBBXPJAZNFA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001266859062 836953180 /nfs/dbraw/zinc/95/31/80/836953180.db2.gz WUAOQERGQCDSMU-INIZCTEOSA-N 2 2 302.422 1.347 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001266859062 836953187 /nfs/dbraw/zinc/95/31/87/836953187.db2.gz WUAOQERGQCDSMU-INIZCTEOSA-N 2 2 302.422 1.347 20 30 DDEDLP C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267559017 838304508 /nfs/dbraw/zinc/30/45/08/838304508.db2.gz LWDRJCHBBGTOKV-OAHLLOKOSA-N 2 2 316.449 1.776 20 30 DDEDLP C=CC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267559017 838304514 /nfs/dbraw/zinc/30/45/14/838304514.db2.gz LWDRJCHBBGTOKV-OAHLLOKOSA-N 2 2 316.449 1.776 20 30 DDEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267703078 838679188 /nfs/dbraw/zinc/67/91/88/838679188.db2.gz LSBALFVCDLWUCB-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267703078 838679191 /nfs/dbraw/zinc/67/91/91/838679191.db2.gz LSBALFVCDLWUCB-HNNXBMFYSA-N 2 2 302.422 1.156 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267767014 838913229 /nfs/dbraw/zinc/91/32/29/838913229.db2.gz NDEUMOZJDORESA-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267767014 838913236 /nfs/dbraw/zinc/91/32/36/838913236.db2.gz NDEUMOZJDORESA-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267767014 838913244 /nfs/dbraw/zinc/91/32/44/838913244.db2.gz NDEUMOZJDORESA-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267767014 838913250 /nfs/dbraw/zinc/91/32/50/838913250.db2.gz NDEUMOZJDORESA-OAHLLOKOSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268072543 839645228 /nfs/dbraw/zinc/64/52/28/839645228.db2.gz UWZRFFSOXVBBCG-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001268175696 839794993 /nfs/dbraw/zinc/79/49/93/839794993.db2.gz WTTGMHJNZWEWRY-HZPDHXFCSA-N 2 2 316.449 1.593 20 30 DDEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268364761 840064325 /nfs/dbraw/zinc/06/43/25/840064325.db2.gz AMWAWGBHENXOAD-CZUORRHYSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268364761 840064336 /nfs/dbraw/zinc/06/43/36/840064336.db2.gz AMWAWGBHENXOAD-CZUORRHYSA-N 2 2 317.437 1.298 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001268769156 840774076 /nfs/dbraw/zinc/77/40/76/840774076.db2.gz BYXLDZAGSCWDDZ-RDJZCZTQSA-N 2 2 316.449 1.641 20 30 DDEDLP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001268843978 840893445 /nfs/dbraw/zinc/89/34/45/840893445.db2.gz LQBYBMGTTVYARQ-OAHLLOKOSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268992846 841092665 /nfs/dbraw/zinc/09/26/65/841092665.db2.gz IPQNVYGFLWYTNX-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001268992846 841092675 /nfs/dbraw/zinc/09/26/75/841092675.db2.gz IPQNVYGFLWYTNX-HOTGVXAUSA-N 2 2 302.422 1.915 20 30 DDEDLP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CC ZINC001269180502 841307105 /nfs/dbraw/zinc/30/71/05/841307105.db2.gz DQFDOUZPXYOIJS-HOCLYGCPSA-N 2 2 304.438 1.755 20 30 DDEDLP C#CC[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001269677401 841927038 /nfs/dbraw/zinc/92/70/38/841927038.db2.gz RGRQVPNWMVFTBP-GUYCJALGSA-N 2 2 302.422 1.549 20 30 DDEDLP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001326382143 861316778 /nfs/dbraw/zinc/31/67/78/861316778.db2.gz ONLFOROYJBHESP-CVEARBPZSA-N 2 2 302.422 1.686 20 30 DDEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270682150 842815035 /nfs/dbraw/zinc/81/50/35/842815035.db2.gz IRVKKHABOAXPJN-HOTGVXAUSA-N 2 2 311.470 1.500 20 30 DDEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270682150 842815040 /nfs/dbraw/zinc/81/50/40/842815040.db2.gz IRVKKHABOAXPJN-HOTGVXAUSA-N 2 2 311.470 1.500 20 30 DDEDLP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271155549 843323293 /nfs/dbraw/zinc/32/32/93/843323293.db2.gz PYAGHUSGVRTFLZ-HNNXBMFYSA-N 2 2 310.401 1.440 20 30 DDEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001271449803 843612462 /nfs/dbraw/zinc/61/24/62/843612462.db2.gz RURRFMUSPJZJDB-GOEBONIOSA-N 2 2 302.422 1.203 20 30 DDEDLP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001272474790 846177458 /nfs/dbraw/zinc/17/74/58/846177458.db2.gz JYYDRBCRYYHHKB-GJZGRUSLSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272479340 846188634 /nfs/dbraw/zinc/18/86/34/846188634.db2.gz HXVPQFMCGRIZQT-HNNXBMFYSA-N 2 2 305.422 1.653 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001272771873 847402926 /nfs/dbraw/zinc/40/29/26/847402926.db2.gz NUQYAXKBHXMTQK-QGZVFWFLSA-N 2 2 316.405 1.256 20 30 DDEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001272771873 847402928 /nfs/dbraw/zinc/40/29/28/847402928.db2.gz NUQYAXKBHXMTQK-QGZVFWFLSA-N 2 2 316.405 1.256 20 30 DDEDLP C=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791248 847431633 /nfs/dbraw/zinc/43/16/33/847431633.db2.gz OILZNWWMTWPNCB-SWLSCSKDSA-N 2 2 305.426 1.460 20 30 DDEDLP C=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791248 847431640 /nfs/dbraw/zinc/43/16/40/847431640.db2.gz OILZNWWMTWPNCB-SWLSCSKDSA-N 2 2 305.426 1.460 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193154 861816988 /nfs/dbraw/zinc/81/69/88/861816988.db2.gz GBYOAPQEPJETFQ-ZIAGYGMSSA-N 2 2 302.422 1.680 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193154 861817006 /nfs/dbraw/zinc/81/70/06/861817006.db2.gz GBYOAPQEPJETFQ-ZIAGYGMSSA-N 2 2 302.422 1.680 20 30 DDEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193153 861818780 /nfs/dbraw/zinc/81/87/80/861818780.db2.gz GBYOAPQEPJETFQ-KGLIPLIRSA-N 2 2 302.422 1.680 20 30 DDEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193153 861818794 /nfs/dbraw/zinc/81/87/94/861818794.db2.gz GBYOAPQEPJETFQ-KGLIPLIRSA-N 2 2 302.422 1.680 20 30 DDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279859 848242741 /nfs/dbraw/zinc/24/27/41/848242741.db2.gz YIYVISXUMLPXIF-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001034279859 848242752 /nfs/dbraw/zinc/24/27/52/848242752.db2.gz YIYVISXUMLPXIF-HUUCEWRRSA-N 2 2 302.422 1.602 20 30 DDEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444782 850644331 /nfs/dbraw/zinc/64/43/31/850644331.db2.gz GQKVOJUDABCYJK-DZGCQCFKSA-N 2 2 320.437 1.432 20 30 DDEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001132444782 850644338 /nfs/dbraw/zinc/64/43/38/850644338.db2.gz GQKVOJUDABCYJK-DZGCQCFKSA-N 2 2 320.437 1.432 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870345 857823823 /nfs/dbraw/zinc/82/38/23/857823823.db2.gz FUURMUQALHPZSZ-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870345 857823825 /nfs/dbraw/zinc/82/38/25/857823825.db2.gz FUURMUQALHPZSZ-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870467 857824824 /nfs/dbraw/zinc/82/48/24/857824824.db2.gz JYZBCFLNLPFSQT-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870467 857824828 /nfs/dbraw/zinc/82/48/28/857824828.db2.gz JYZBCFLNLPFSQT-OAHLLOKOSA-N 2 2 312.417 1.003 20 30 DDEDLP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001277001458 881569015 /nfs/dbraw/zinc/56/90/15/881569015.db2.gz NDURTVSAGHGYIY-KKUMJFAQSA-N 2 2 302.422 1.506 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618902 863459984 /nfs/dbraw/zinc/45/99/84/863459984.db2.gz URNRCJAXSNROOO-GOEBONIOSA-N 2 2 304.438 1.745 20 30 DDEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093409 864404186 /nfs/dbraw/zinc/40/41/86/864404186.db2.gz YZYXSUBBTDMNFI-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093409 864404192 /nfs/dbraw/zinc/40/41/92/864404192.db2.gz YZYXSUBBTDMNFI-HUUCEWRRSA-N 2 2 302.422 1.295 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158149172 864457367 /nfs/dbraw/zinc/45/73/67/864457367.db2.gz XZKPGWPTOGUZNZ-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001158149172 864457371 /nfs/dbraw/zinc/45/73/71/864457371.db2.gz XZKPGWPTOGUZNZ-DOTOQJQBSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C[C@H]1CCCO1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001331817424 865357548 /nfs/dbraw/zinc/35/75/48/865357548.db2.gz IHDRCDYNDPSSNV-QZTJIDSGSA-N 2 2 306.450 1.744 20 30 DDEDLP C#CC[N@@H+](C[C@H]1CCCO1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001331817424 865357560 /nfs/dbraw/zinc/35/75/60/865357560.db2.gz IHDRCDYNDPSSNV-QZTJIDSGSA-N 2 2 306.450 1.744 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)CC1 ZINC001160432315 865835928 /nfs/dbraw/zinc/83/59/28/865835928.db2.gz SRVWNWHHEWINCG-AWEZNQCLSA-N 2 2 323.387 1.555 20 30 DDEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001160435359 865837517 /nfs/dbraw/zinc/83/75/17/865837517.db2.gz AEJXPHHMTPKSHM-KRWDZBQOSA-N 2 2 324.428 1.435 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161324102 866531017 /nfs/dbraw/zinc/53/10/17/866531017.db2.gz UHDMXYPUZYSBNN-AWEZNQCLSA-N 2 2 320.437 1.122 20 30 DDEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161324102 866531029 /nfs/dbraw/zinc/53/10/29/866531029.db2.gz UHDMXYPUZYSBNN-AWEZNQCLSA-N 2 2 320.437 1.122 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433924 866665050 /nfs/dbraw/zinc/66/50/50/866665050.db2.gz LNGMXMIYDGGKIZ-AWEZNQCLSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161433924 866665061 /nfs/dbraw/zinc/66/50/61/866665061.db2.gz LNGMXMIYDGGKIZ-AWEZNQCLSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433924 866665068 /nfs/dbraw/zinc/66/50/68/866665068.db2.gz LNGMXMIYDGGKIZ-AWEZNQCLSA-N 2 2 302.422 1.913 20 30 DDEDLP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161433924 866665076 /nfs/dbraw/zinc/66/50/76/866665076.db2.gz LNGMXMIYDGGKIZ-AWEZNQCLSA-N 2 2 302.422 1.913 20 30 DDEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324659135 867431682 /nfs/dbraw/zinc/43/16/82/867431682.db2.gz ZMNLNCVANOICKZ-DOTOQJQBSA-N 2 2 318.421 1.065 20 30 DDEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001324659135 867431693 /nfs/dbraw/zinc/43/16/93/867431693.db2.gz ZMNLNCVANOICKZ-DOTOQJQBSA-N 2 2 318.421 1.065 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001325029359 867708545 /nfs/dbraw/zinc/70/85/45/867708545.db2.gz UEMJQGHCIVPPLE-AWEZNQCLSA-N 2 2 320.437 1.419 20 30 DDEDLP C=CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001325029359 867708551 /nfs/dbraw/zinc/70/85/51/867708551.db2.gz UEMJQGHCIVPPLE-AWEZNQCLSA-N 2 2 320.437 1.419 20 30 DDEDLP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001325693061 868258701 /nfs/dbraw/zinc/25/87/01/868258701.db2.gz CUAFGICAOJAXBM-UHFFFAOYSA-N 2 2 324.428 1.915 20 30 DDEDLP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001325708267 868276192 /nfs/dbraw/zinc/27/61/92/868276192.db2.gz MVQZUYVOVLLSKP-UHFFFAOYSA-N 2 2 324.428 1.604 20 30 DDEDLP N#Cc1ccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)s1 ZINC001163593063 868553688 /nfs/dbraw/zinc/55/36/88/868553688.db2.gz CWXOBECAPSNOKF-UHFFFAOYSA-N 2 2 317.418 1.502 20 30 DDEDLP C=CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336191676 868779598 /nfs/dbraw/zinc/77/95/98/868779598.db2.gz GHFCEBQZYJMKKL-UHFFFAOYSA-N 2 2 316.449 1.807 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336716867 869107190 /nfs/dbraw/zinc/10/71/90/869107190.db2.gz XQUKUSFKLXDWBF-MRXNPFEDSA-N 2 2 300.406 1.961 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336716867 869107200 /nfs/dbraw/zinc/10/72/00/869107200.db2.gz XQUKUSFKLXDWBF-MRXNPFEDSA-N 2 2 300.406 1.961 20 30 DDEDLP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165836518 869729954 /nfs/dbraw/zinc/72/99/54/869729954.db2.gz PYTSEONRQBXPKA-AWEZNQCLSA-N 2 2 302.422 1.508 20 30 DDEDLP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530893 870619302 /nfs/dbraw/zinc/61/93/02/870619302.db2.gz LPMIRGNCTGTHEJ-ZIAGYGMSSA-N 2 2 302.422 1.935 20 30 DDEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317605554 871186265 /nfs/dbraw/zinc/18/62/65/871186265.db2.gz IAUAUMWNVAMKNW-LSDHHAIUSA-N 2 2 304.438 1.848 20 30 DDEDLP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205553238 871625705 /nfs/dbraw/zinc/62/57/05/871625705.db2.gz QYCLAIJUJWVPCG-MRXNPFEDSA-N 2 2 314.433 1.297 20 30 DDEDLP C=CCC[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCCC1 ZINC001318645787 872186008 /nfs/dbraw/zinc/18/60/08/872186008.db2.gz GPZPTVGQCHLVLK-UHFFFAOYSA-N 2 2 304.438 1.947 20 30 DDEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001318727939 872230869 /nfs/dbraw/zinc/23/08/69/872230869.db2.gz GFQRMKOFDUYQSG-QGZVFWFLSA-N 2 2 302.422 1.251 20 30 DDEDLP C#CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917837 872361777 /nfs/dbraw/zinc/36/17/77/872361777.db2.gz KKOUMIPLXSNGQF-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP C#CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917837 872361797 /nfs/dbraw/zinc/36/17/97/872361797.db2.gz KKOUMIPLXSNGQF-AWEZNQCLSA-N 2 2 300.406 1.049 20 30 DDEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206519559 872406329 /nfs/dbraw/zinc/40/63/29/872406329.db2.gz MWSYJCGHLQHKGX-RDJZCZTQSA-N 2 2 324.384 1.497 20 30 DDEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206519559 872406340 /nfs/dbraw/zinc/40/63/40/872406340.db2.gz MWSYJCGHLQHKGX-RDJZCZTQSA-N 2 2 324.384 1.497 20 30 DDEDLP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947165 872442212 /nfs/dbraw/zinc/44/22/12/872442212.db2.gz HNHPCUCNCCBWPF-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001316947165 872442218 /nfs/dbraw/zinc/44/22/18/872442218.db2.gz HNHPCUCNCCBWPF-HNNXBMFYSA-N 2 2 304.438 1.900 20 30 DDEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678497 874375684 /nfs/dbraw/zinc/37/56/84/874375684.db2.gz IERXEMABDPUCMK-HNNXBMFYSA-N 2 2 320.437 1.136 20 30 DDEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210207244 875270162 /nfs/dbraw/zinc/27/01/62/875270162.db2.gz VAUXEJYQPYABSH-SZVBFZGTSA-N 2 2 313.445 1.533 20 30 DDEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210207244 875270174 /nfs/dbraw/zinc/27/01/74/875270174.db2.gz VAUXEJYQPYABSH-SZVBFZGTSA-N 2 2 313.445 1.533 20 30 DDEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802996 877062159 /nfs/dbraw/zinc/06/21/59/877062159.db2.gz MNDWKBNYPZCMFA-DJIMGWMZSA-N 2 2 321.465 1.110 20 30 DDEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001380113128 878823248 /nfs/dbraw/zinc/82/32/48/878823248.db2.gz KWEHJOCVARRUSF-UHFFFAOYSA-N 2 2 323.400 1.583 20 30 DDEDLP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230035040 884289704 /nfs/dbraw/zinc/28/97/04/884289704.db2.gz PDUQCXBIQPQSEW-AWEZNQCLSA-N 2 2 304.438 1.898 20 30 DDEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001278704959 895742630 /nfs/dbraw/zinc/74/26/30/895742630.db2.gz UUTKBVLMJYCURB-NWDGAFQWSA-N 2 2 316.327 1.296 20 30 DDEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665694 896563051 /nfs/dbraw/zinc/56/30/51/896563051.db2.gz PFWMALICZRYUOS-VDHUWJSZSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665694 896563064 /nfs/dbraw/zinc/56/30/64/896563064.db2.gz PFWMALICZRYUOS-VDHUWJSZSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665694 896563071 /nfs/dbraw/zinc/56/30/71/896563071.db2.gz PFWMALICZRYUOS-VDHUWJSZSA-N 2 2 313.449 1.866 20 30 DDEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C#N)C4)C[C@H]3C2)cn1 ZINC001254665694 896563082 /nfs/dbraw/zinc/56/30/82/896563082.db2.gz PFWMALICZRYUOS-VDHUWJSZSA-N 2 2 313.449 1.866 20 30 DDEDLP CC[C@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261207928 899420938 /nfs/dbraw/zinc/42/09/38/899420938.db2.gz XBVNNHWWTZRTSU-AWEZNQCLSA-N 2 2 308.401 1.272 20 30 DDEDLP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264107124 900936639 /nfs/dbraw/zinc/93/66/39/900936639.db2.gz HGXHFZUQBRVYIO-HNNXBMFYSA-N 2 2 320.437 1.038 20 30 DDEDLP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264107124 900936647 /nfs/dbraw/zinc/93/66/47/900936647.db2.gz HGXHFZUQBRVYIO-HNNXBMFYSA-N 2 2 320.437 1.038 20 30 DDEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001265372884 901936878 /nfs/dbraw/zinc/93/68/78/901936878.db2.gz RRHQHQPFUMBWJQ-RBSFLKMASA-N 2 2 302.422 1.584 20 30 DDEDLP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265944645 902638365 /nfs/dbraw/zinc/63/83/65/902638365.db2.gz MLJMDAIQSSJCRU-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265944645 902638377 /nfs/dbraw/zinc/63/83/77/902638377.db2.gz MLJMDAIQSSJCRU-UHFFFAOYSA-N 2 2 310.401 1.442 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001279317805 903218798 /nfs/dbraw/zinc/21/87/98/903218798.db2.gz FPZDZBZPHCLTPT-MRXNPFEDSA-N 2 2 324.428 1.840 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001279317805 903218811 /nfs/dbraw/zinc/21/88/11/903218811.db2.gz FPZDZBZPHCLTPT-MRXNPFEDSA-N 2 2 324.428 1.840 20 30 DDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001281567261 905040907 /nfs/dbraw/zinc/04/09/07/905040907.db2.gz MQWAEOHGLXRJMS-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001281567261 905040924 /nfs/dbraw/zinc/04/09/24/905040924.db2.gz MQWAEOHGLXRJMS-MRXNPFEDSA-N 2 2 316.449 1.903 20 30 DDEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001282537998 905858171 /nfs/dbraw/zinc/85/81/71/905858171.db2.gz VWNJGURSIFTXIR-UHFFFAOYSA-N 2 2 311.470 1.093 20 30 DDEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001282537998 905858185 /nfs/dbraw/zinc/85/81/85/905858185.db2.gz VWNJGURSIFTXIR-UHFFFAOYSA-N 2 2 311.470 1.093 20 30 DDEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001376748625 919253177 /nfs/dbraw/zinc/25/31/77/919253177.db2.gz FRKBYQOFLQIIII-ZDUSSCGKSA-N 2 2 322.840 1.827 20 30 DDEDLP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001377453395 921963607 /nfs/dbraw/zinc/96/36/07/921963607.db2.gz NCWTVGJDOUNTOV-QWHCGFSZSA-N 2 2 310.829 1.682 20 30 DDEDLP C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1[NH+](C)C ZINC000328618994 222876985 /nfs/dbraw/zinc/87/69/85/222876985.db2.gz VNYFUSCTDWXZAW-RDBSUJKOSA-N 2 2 305.426 1.556 20 30 DDEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000314948074 354489923 /nfs/dbraw/zinc/48/99/23/354489923.db2.gz LCJUCGWXSOIUIT-UKRRQHHQSA-N 2 2 300.362 1.173 20 30 DDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000591770602 355381779 /nfs/dbraw/zinc/38/17/79/355381779.db2.gz RNEFRAWHASTMIO-XJKCOSOUSA-N 2 2 321.396 1.257 20 30 DDEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050773 355780727 /nfs/dbraw/zinc/78/07/27/355780727.db2.gz IUGGIYOAZHRQFA-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050773 355780728 /nfs/dbraw/zinc/78/07/28/355780728.db2.gz IUGGIYOAZHRQFA-AWEZNQCLSA-N 2 2 300.406 1.325 20 30 DDEDLP CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c[nH+]1 ZINC000594440985 356216714 /nfs/dbraw/zinc/21/67/14/356216714.db2.gz KJQYHXJRCHNTEB-OAHLLOKOSA-N 2 2 317.437 1.955 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C#N ZINC000597235520 357105086 /nfs/dbraw/zinc/10/50/86/357105086.db2.gz IVOOPTZTXMUEQS-KRWDZBQOSA-N 2 2 315.417 1.598 20 30 DDEDLP COc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1C#N ZINC000597235520 357105088 /nfs/dbraw/zinc/10/50/88/357105088.db2.gz IVOOPTZTXMUEQS-KRWDZBQOSA-N 2 2 315.417 1.598 20 30 DDEDLP Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1cc(C)[nH+]cc1C#N)C2 ZINC000601183284 358437773 /nfs/dbraw/zinc/43/77/73/358437773.db2.gz DBBXWLRKUUTGBO-CQSZACIVSA-N 2 2 311.389 1.150 20 30 DDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907476 359286731 /nfs/dbraw/zinc/28/67/31/359286731.db2.gz MINAABHIQSLJGZ-QGZVFWFLSA-N 2 2 316.449 1.834 20 30 DDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907476 359286734 /nfs/dbraw/zinc/28/67/34/359286734.db2.gz MINAABHIQSLJGZ-QGZVFWFLSA-N 2 2 316.449 1.834 20 30 DDEDLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000603848787 359688406 /nfs/dbraw/zinc/68/84/06/359688406.db2.gz VOHKEDUHYHYGQI-QGZVFWFLSA-N 2 2 317.433 1.518 20 30 DDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCCO)CC2)cc1 ZINC000271914868 209320789 /nfs/dbraw/zinc/32/07/89/209320789.db2.gz YPXASBHOZWOOGO-UHFFFAOYSA-N 2 2 303.406 1.121 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330967206 223159390 /nfs/dbraw/zinc/15/93/90/223159390.db2.gz DZCOUBYBPXPQKP-VXGBXAGGSA-N 2 2 321.425 1.806 20 30 DDEDLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330967206 223159391 /nfs/dbraw/zinc/15/93/91/223159391.db2.gz DZCOUBYBPXPQKP-VXGBXAGGSA-N 2 2 321.425 1.806 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001120501902 781988844 /nfs/dbraw/zinc/98/88/44/781988844.db2.gz ZBEKPBLBONFWEX-NSHDSACASA-N 2 2 314.298 1.622 20 30 DDEDLP C#CCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122722322 407308828 /nfs/dbraw/zinc/30/88/28/407308828.db2.gz XMSVTSFHMBMBCH-UHFFFAOYSA-N 2 2 320.481 1.648 20 30 DDEDLP CN(C)C(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000170905871 407550509 /nfs/dbraw/zinc/55/05/09/407550509.db2.gz ANACWDYYLASQEO-UHFFFAOYSA-N 2 2 317.481 1.461 20 30 DDEDLP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042678 407949776 /nfs/dbraw/zinc/94/97/76/407949776.db2.gz WXXADKKEEXJRRA-BZUAXINKSA-N 2 2 309.454 1.110 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164187 408159882 /nfs/dbraw/zinc/15/98/82/408159882.db2.gz OLMSLGVEBCOOAB-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164187 408159885 /nfs/dbraw/zinc/15/98/85/408159885.db2.gz OLMSLGVEBCOOAB-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164187 408159894 /nfs/dbraw/zinc/15/98/94/408159894.db2.gz OLMSLGVEBCOOAB-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164187 408159901 /nfs/dbraw/zinc/15/99/01/408159901.db2.gz OLMSLGVEBCOOAB-HOTGVXAUSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995373 408375972 /nfs/dbraw/zinc/37/59/72/408375972.db2.gz BDDKABPONCFQPF-KONPQCLYSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995373 408375977 /nfs/dbraw/zinc/37/59/77/408375977.db2.gz BDDKABPONCFQPF-KONPQCLYSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158995373 408375983 /nfs/dbraw/zinc/37/59/83/408375983.db2.gz BDDKABPONCFQPF-KONPQCLYSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995373 408375986 /nfs/dbraw/zinc/37/59/86/408375986.db2.gz BDDKABPONCFQPF-KONPQCLYSA-N 2 2 320.481 1.845 20 30 DDEDLP C#CCC(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000185349983 408799283 /nfs/dbraw/zinc/79/92/83/408799283.db2.gz BLRMIFAXJNEBGX-UHFFFAOYSA-N 2 2 305.466 1.711 20 30 DDEDLP COCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281632981 408901362 /nfs/dbraw/zinc/90/13/62/408901362.db2.gz OLVHEAFNWWUJLG-SFHVURJKSA-N 2 2 317.433 1.510 20 30 DDEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878996 408946782 /nfs/dbraw/zinc/94/67/82/408946782.db2.gz AGYJEYJJJQHSMM-AWEZNQCLSA-N 2 2 302.422 1.701 20 30 DDEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878996 408946783 /nfs/dbraw/zinc/94/67/83/408946783.db2.gz AGYJEYJJJQHSMM-AWEZNQCLSA-N 2 2 302.422 1.701 20 30 DDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038977 408967543 /nfs/dbraw/zinc/96/75/43/408967543.db2.gz AFEOKTDNVJPVFU-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038977 408967546 /nfs/dbraw/zinc/96/75/46/408967546.db2.gz AFEOKTDNVJPVFU-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038977 408967549 /nfs/dbraw/zinc/96/75/49/408967549.db2.gz AFEOKTDNVJPVFU-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)C1 ZINC000292038977 408967553 /nfs/dbraw/zinc/96/75/53/408967553.db2.gz AFEOKTDNVJPVFU-GOSISDBHSA-N 2 2 312.417 1.202 20 30 DDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1nccn1C)C1CCOCC1 ZINC000297166062 409834339 /nfs/dbraw/zinc/83/43/39/409834339.db2.gz DDSIWEXXCZUTEP-INIZCTEOSA-N 2 2 304.438 1.433 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320457422 409903244 /nfs/dbraw/zinc/90/32/44/409903244.db2.gz YUXJZFFQDWDTEM-BRWVUGGUSA-N 2 2 315.417 1.514 20 30 DDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320457422 409903249 /nfs/dbraw/zinc/90/32/49/409903249.db2.gz YUXJZFFQDWDTEM-BRWVUGGUSA-N 2 2 315.417 1.514 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000328664435 409950141 /nfs/dbraw/zinc/95/01/41/409950141.db2.gz YMVGNCCDOOLTIG-LSDHHAIUSA-N 2 2 317.437 1.763 20 30 DDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000328664435 409950150 /nfs/dbraw/zinc/95/01/50/409950150.db2.gz YMVGNCCDOOLTIG-LSDHHAIUSA-N 2 2 317.437 1.763 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000247137573 222227031 /nfs/dbraw/zinc/22/70/31/222227031.db2.gz QXPVRROKVLVVIL-AEFFLSMTSA-N 2 2 318.465 1.745 20 30 DDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000247137573 222227032 /nfs/dbraw/zinc/22/70/32/222227032.db2.gz QXPVRROKVLVVIL-AEFFLSMTSA-N 2 2 318.465 1.745 20 30 DDEDLP Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367428538 418599750 /nfs/dbraw/zinc/59/97/50/418599750.db2.gz AYBTZEBTMCFMFV-CYBMUJFWSA-N 2 2 300.410 1.237 20 30 DDEDLP Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367428538 418599752 /nfs/dbraw/zinc/59/97/52/418599752.db2.gz AYBTZEBTMCFMFV-CYBMUJFWSA-N 2 2 300.410 1.237 20 30 DDEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N(C)Cc1ccon1 ZINC000261808728 222258493 /nfs/dbraw/zinc/25/84/93/222258493.db2.gz SEULRUGRQRNMLG-UHFFFAOYSA-N 2 2 312.377 1.572 20 30 DDEDLP CNC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264134156 222323841 /nfs/dbraw/zinc/32/38/41/222323841.db2.gz ZBDAWBJUFVKIGN-UHFFFAOYSA-N 2 2 303.454 1.119 20 30 DDEDLP C[NH+]=C(NCc1noc(C)n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262010599 222269005 /nfs/dbraw/zinc/26/90/05/222269005.db2.gz WMKHUEYIKNWLKI-DGCLKSJQSA-N 2 2 317.397 1.233 20 30 DDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1C[C@H](C)C[C@@H](C)C1 ZINC000262805248 222295498 /nfs/dbraw/zinc/29/54/98/222295498.db2.gz SCEKEYIIYHPXQY-CHWSQXEVSA-N 2 2 306.458 1.539 20 30 DDEDLP COc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1OC ZINC000264116901 222321346 /nfs/dbraw/zinc/32/13/46/222321346.db2.gz QCVWAEPJMRFHTG-CQSZACIVSA-N 2 2 322.453 1.786 20 30 DDEDLP Cn1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C#N ZINC000377622624 418711698 /nfs/dbraw/zinc/71/16/98/418711698.db2.gz IEYDEHDTLNOTAZ-KRWDZBQOSA-N 2 2 315.465 1.499 20 30 DDEDLP Cn1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C#N ZINC000377622624 418711699 /nfs/dbraw/zinc/71/16/99/418711699.db2.gz IEYDEHDTLNOTAZ-KRWDZBQOSA-N 2 2 315.465 1.499 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C#Cc3ccccc3)C2)CC1 ZINC000370022138 418740149 /nfs/dbraw/zinc/74/01/49/418740149.db2.gz YQFMWJIVRQEKAW-QGZVFWFLSA-N 2 2 311.429 1.323 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C#Cc3ccccc3)C2)CC1 ZINC000370022138 418740151 /nfs/dbraw/zinc/74/01/51/418740151.db2.gz YQFMWJIVRQEKAW-QGZVFWFLSA-N 2 2 311.429 1.323 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000371490311 418794700 /nfs/dbraw/zinc/79/47/00/418794700.db2.gz DHGIVTNNBAQYPD-UHFFFAOYSA-N 2 2 317.458 1.274 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000371490311 418794703 /nfs/dbraw/zinc/79/47/03/418794703.db2.gz DHGIVTNNBAQYPD-UHFFFAOYSA-N 2 2 317.458 1.274 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364743550 418807148 /nfs/dbraw/zinc/80/71/48/418807148.db2.gz RRFHNVCODBQLHG-DLBZAZTESA-N 2 2 305.466 1.712 20 30 DDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364743550 418807149 /nfs/dbraw/zinc/80/71/49/418807149.db2.gz RRFHNVCODBQLHG-DLBZAZTESA-N 2 2 305.466 1.712 20 30 DDEDLP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000365735193 418901448 /nfs/dbraw/zinc/90/14/48/418901448.db2.gz KHMXPWSHNRGNCM-DOTOQJQBSA-N 2 2 318.465 1.745 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000424188796 228243335 /nfs/dbraw/zinc/24/33/35/228243335.db2.gz JXTKURCZVRIIFB-CQSZACIVSA-N 2 2 321.450 1.199 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000424188796 228243337 /nfs/dbraw/zinc/24/33/37/228243337.db2.gz JXTKURCZVRIIFB-CQSZACIVSA-N 2 2 321.450 1.199 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433321286 229187490 /nfs/dbraw/zinc/18/74/90/229187490.db2.gz VADUTAVXGHYDDP-INIZCTEOSA-N 2 2 316.449 1.887 20 30 DDEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433321286 229187492 /nfs/dbraw/zinc/18/74/92/229187492.db2.gz VADUTAVXGHYDDP-INIZCTEOSA-N 2 2 316.449 1.887 20 30 DDEDLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000549764298 421507454 /nfs/dbraw/zinc/50/74/54/421507454.db2.gz PFTZVXCQROZAGT-UHFFFAOYSA-N 2 2 312.421 1.811 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000570163043 421629358 /nfs/dbraw/zinc/62/93/58/421629358.db2.gz ZNIYSELQJZTXTG-CQSZACIVSA-N 2 2 309.841 1.980 20 30 DDEDLP C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000570163043 421629359 /nfs/dbraw/zinc/62/93/59/421629359.db2.gz ZNIYSELQJZTXTG-CQSZACIVSA-N 2 2 309.841 1.980 20 30 DDEDLP C=CC[C@@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662392857 424604989 /nfs/dbraw/zinc/60/49/89/424604989.db2.gz MGRSOAZSRALPJV-SFHVURJKSA-N 2 2 314.433 1.996 20 30 DDEDLP CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344067062 266285495 /nfs/dbraw/zinc/28/54/95/266285495.db2.gz FOSMPQHOAGFBRA-GOSISDBHSA-N 2 2 317.433 1.510 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000571682809 308200238 /nfs/dbraw/zinc/20/02/38/308200238.db2.gz XKVCNBULEBRABS-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000571682809 308200239 /nfs/dbraw/zinc/20/02/39/308200239.db2.gz XKVCNBULEBRABS-AWEZNQCLSA-N 2 2 312.421 1.765 20 30 DDEDLP C=CCN1CC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000531045841 332227329 /nfs/dbraw/zinc/22/73/29/332227329.db2.gz DDUNJSAJUJSGCV-OAHLLOKOSA-N 2 2 300.406 1.745 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526055675 333057829 /nfs/dbraw/zinc/05/78/29/333057829.db2.gz JZGKSMPWLAFROV-JKSUJKDBSA-N 2 2 318.465 1.888 20 30 DDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000526055675 333057831 /nfs/dbraw/zinc/05/78/31/333057831.db2.gz JZGKSMPWLAFROV-JKSUJKDBSA-N 2 2 318.465 1.888 20 30 DDEDLP CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000109814011 333326647 /nfs/dbraw/zinc/32/66/47/333326647.db2.gz HRYYIEFISGAMMF-UHFFFAOYSA-N 2 2 320.481 1.991 20 30 DDEDLP CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000109814011 333326649 /nfs/dbraw/zinc/32/66/49/333326649.db2.gz HRYYIEFISGAMMF-UHFFFAOYSA-N 2 2 320.481 1.991 20 30 DDEDLP C=CCN1CC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000352835355 336271951 /nfs/dbraw/zinc/27/19/51/336271951.db2.gz XYTDYMNGOJAZOX-MRXNPFEDSA-N 2 2 309.454 1.252 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cn1 ZINC000582615104 337114841 /nfs/dbraw/zinc/11/48/41/337114841.db2.gz PRPCEVSUHCJNOP-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cn1 ZINC000582615104 337114842 /nfs/dbraw/zinc/11/48/42/337114842.db2.gz PRPCEVSUHCJNOP-ZACQAIPSSA-N 2 2 300.406 1.637 20 30 DDEDLP CC1(C#N)CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496405591 340004816 /nfs/dbraw/zinc/00/48/16/340004816.db2.gz ZZLHXAHEEDTHLJ-KRWDZBQOSA-N 2 2 318.421 1.486 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348273034 526603726 /nfs/dbraw/zinc/60/37/26/526603726.db2.gz DYRLIIHTXOHSTP-HIFRSBDPSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348273034 526603732 /nfs/dbraw/zinc/60/37/32/526603732.db2.gz DYRLIIHTXOHSTP-HIFRSBDPSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348273034 526603734 /nfs/dbraw/zinc/60/37/34/526603734.db2.gz DYRLIIHTXOHSTP-HIFRSBDPSA-N 2 2 322.453 1.050 20 30 DDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348273034 526603736 /nfs/dbraw/zinc/60/37/36/526603736.db2.gz DYRLIIHTXOHSTP-HIFRSBDPSA-N 2 2 322.453 1.050 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000490925399 526950561 /nfs/dbraw/zinc/95/05/61/526950561.db2.gz VSJLXNQQLHOKAP-ZDUSSCGKSA-N 2 2 321.371 1.393 20 30 DDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2SCC)CC1 ZINC000491166088 526952305 /nfs/dbraw/zinc/95/23/05/526952305.db2.gz PMPZGOYVLGZWKC-GJZGRUSLSA-N 2 2 309.479 1.028 20 30 DDEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449223381 527173046 /nfs/dbraw/zinc/17/30/46/527173046.db2.gz JMLWLKBXWYLZLU-SJORKVTESA-N 2 2 323.481 1.644 20 30 DDEDLP C#C[C@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491660296 527352414 /nfs/dbraw/zinc/35/24/14/527352414.db2.gz OIKPUKYMJXUSMA-MRXNPFEDSA-N 2 2 320.481 1.648 20 30 DDEDLP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980254924 696719790 /nfs/dbraw/zinc/71/97/90/696719790.db2.gz CKOLYTSEMMRMLM-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000980254924 696719792 /nfs/dbraw/zinc/71/97/92/696719792.db2.gz CKOLYTSEMMRMLM-ARFHVFGLSA-N 2 2 302.422 1.676 20 30 DDEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822029 695103264 /nfs/dbraw/zinc/10/32/64/695103264.db2.gz RQXXIEYMVRJHEK-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971822029 695103265 /nfs/dbraw/zinc/10/32/65/695103265.db2.gz RQXXIEYMVRJHEK-GJZGRUSLSA-N 2 2 302.422 1.554 20 30 DDEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011400 695138661 /nfs/dbraw/zinc/13/86/61/695138661.db2.gz IHNUTPNNCQVQFS-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011400 695138663 /nfs/dbraw/zinc/13/86/63/695138663.db2.gz IHNUTPNNCQVQFS-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011400 695138664 /nfs/dbraw/zinc/13/86/64/695138664.db2.gz IHNUTPNNCQVQFS-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011400 695138667 /nfs/dbraw/zinc/13/86/67/695138667.db2.gz IHNUTPNNCQVQFS-IRXDYDNUSA-N 2 2 321.465 1.206 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402186 695240869 /nfs/dbraw/zinc/24/08/69/695240869.db2.gz OQAIADLPTXUJLM-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402186 695240870 /nfs/dbraw/zinc/24/08/70/695240870.db2.gz OQAIADLPTXUJLM-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402186 695240872 /nfs/dbraw/zinc/24/08/72/695240872.db2.gz OQAIADLPTXUJLM-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402186 695240873 /nfs/dbraw/zinc/24/08/73/695240873.db2.gz OQAIADLPTXUJLM-AEFFLSMTSA-N 2 2 321.465 1.350 20 30 DDEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669347 695708082 /nfs/dbraw/zinc/70/80/82/695708082.db2.gz DQJNMCBILHJVBT-KGLIPLIRSA-N 2 2 300.406 1.220 20 30 DDEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974669347 695708084 /nfs/dbraw/zinc/70/80/84/695708084.db2.gz DQJNMCBILHJVBT-KGLIPLIRSA-N 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ZINC000950089331 720485556 /nfs/dbraw/zinc/48/55/56/720485556.db2.gz AAGAVLDGBHVUBX-HZPDHXFCSA-N 2 2 305.466 1.970 20 30 DDEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969995255 720590534 /nfs/dbraw/zinc/59/05/34/720590534.db2.gz CPORCPZRMZTXQP-HUUCEWRRSA-N 2 2 316.449 1.848 20 30 DDEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996049 720591110 /nfs/dbraw/zinc/59/11/10/720591110.db2.gz HKAPWRIFNBCFAS-KGLIPLIRSA-N 2 2 302.422 1.458 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@@H](C)F)C1 ZINC000950533728 720672818 /nfs/dbraw/zinc/67/28/18/720672818.db2.gz JHMXMKFSKQKUIL-ZBFHGGJFSA-N 2 2 309.429 1.365 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC[C@@H](C)F)C1 ZINC000950533728 720672820 /nfs/dbraw/zinc/67/28/20/720672820.db2.gz JHMXMKFSKQKUIL-ZBFHGGJFSA-N 2 2 309.429 1.365 20 30 DDEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585565 735325063 /nfs/dbraw/zinc/32/50/63/735325063.db2.gz 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CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021602227 733359297 /nfs/dbraw/zinc/35/92/97/733359297.db2.gz GQLBKNJRDZTIID-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602227 733359302 /nfs/dbraw/zinc/35/93/02/733359302.db2.gz GQLBKNJRDZTIID-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021602227 733359310 /nfs/dbraw/zinc/35/93/10/733359310.db2.gz GQLBKNJRDZTIID-RDJZCZTQSA-N 2 2 314.433 1.679 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027939263 738841189 /nfs/dbraw/zinc/84/11/89/738841189.db2.gz LHCYOAHHCXWJGL-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001027939263 738841192 /nfs/dbraw/zinc/84/11/92/738841192.db2.gz LHCYOAHHCXWJGL-ROUUACIJSA-N 2 2 317.477 1.855 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001027939263 738841195 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C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001270994130 843118572 /nfs/dbraw/zinc/11/85/72/843118572.db2.gz AZWFXZHKWFJVCZ-CJNGLKHVSA-N 2 2 318.421 1.017 20 30 DDEDLP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001272474841 846177255 /nfs/dbraw/zinc/17/72/55/846177255.db2.gz JYYDRBCRYYHHKB-HUUCEWRRSA-N 2 2 302.422 1.460 20 30 DDEDLP C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272808283 847459156 /nfs/dbraw/zinc/45/91/56/847459156.db2.gz NSHTWLVWBBEYQF-CQSZACIVSA-N 2 2 300.406 1.398 20 30 DDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279782 848242043 /nfs/dbraw/zinc/24/20/43/848242043.db2.gz XBDOXJHPPPRSEA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001034279782 848242053 /nfs/dbraw/zinc/24/20/53/848242053.db2.gz XBDOXJHPPPRSEA-HZPDHXFCSA-N 2 2 314.433 1.440 20 30 DDEDLP C=CCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274974321 852724035 /nfs/dbraw/zinc/72/40/35/852724035.db2.gz HPBDQGYHZZREGP-CALCHBBNSA-N 2 2 304.438 1.624 20 30 DDEDLP C=CCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274974321 852724040 /nfs/dbraw/zinc/72/40/40/852724040.db2.gz HPBDQGYHZZREGP-CALCHBBNSA-N 2 2 304.438 1.624 20 30 DDEDLP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001276233317 855017462 /nfs/dbraw/zinc/01/74/62/855017462.db2.gz VWWYMPSQPUTMRC-HUUCEWRRSA-N 2 2 304.438 1.928 20 30 DDEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870275 857824749 /nfs/dbraw/zinc/82/47/49/857824749.db2.gz DDPKEQGWCLOIES-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870275 857824750 /nfs/dbraw/zinc/82/47/50/857824750.db2.gz DDPKEQGWCLOIES-OAHLLOKOSA-N 2 2 314.433 1.556 20 30 DDEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ncccc2O)CC1 ZINC001138396091 860092864 /nfs/dbraw/zinc/09/28/64/860092864.db2.gz HVXWWNNANOBKOQ-UHFFFAOYSA-N 2 2 316.449 1.579 20 30 DDEDLP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329306431 863590048 /nfs/dbraw/zinc/59/00/48/863590048.db2.gz DTQILZFTVFQSFO-CQSZACIVSA-N 2 2 304.438 1.706 20 30 DDEDLP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001329743375 863824973 /nfs/dbraw/zinc/82/49/73/863824973.db2.gz UXOFYCOPXOVQQV-OAGGEKHMSA-N 2 2 316.449 1.999 20 30 DDEDLP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001329743375 863824982 /nfs/dbraw/zinc/82/49/82/863824982.db2.gz UXOFYCOPXOVQQV-OAGGEKHMSA-N 2 2 316.449 1.999 20 30 DDEDLP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329886030 863920126 /nfs/dbraw/zinc/92/01/26/863920126.db2.gz BIYIMMVFKQUEFI-JKSUJKDBSA-N 2 2 316.449 1.733 20 30 DDEDLP CC1([NH3+])CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001157644779 864006431 /nfs/dbraw/zinc/00/64/31/864006431.db2.gz YYWWFVFBFZFTLR-MRXNPFEDSA-N 2 2 312.417 1.472 20 30 DDEDLP CC1([NH3+])CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001157644779 864006442 /nfs/dbraw/zinc/00/64/42/864006442.db2.gz YYWWFVFBFZFTLR-MRXNPFEDSA-N 2 2 312.417 1.472 20 30 DDEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158149173 864457620 /nfs/dbraw/zinc/45/76/20/864457620.db2.gz XZKPGWPTOGUZNZ-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001158149173 864457622 /nfs/dbraw/zinc/45/76/22/864457622.db2.gz XZKPGWPTOGUZNZ-NVXWUHKLSA-N 2 2 314.433 1.392 20 30 DDEDLP CC#CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]ccc1OC)C(C)C ZINC001319920964 866382921 /nfs/dbraw/zinc/38/29/21/866382921.db2.gz ACMLOGOBAUOIFO-HNNXBMFYSA-N 2 2 303.406 1.386 20 30 DDEDLP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001333088566 866412197 /nfs/dbraw/zinc/41/21/97/866412197.db2.gz GZFODOPGPNIKHJ-WLYUNCDWSA-N 2 2 302.422 1.601 20 30 DDEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309282 866511803 /nfs/dbraw/zinc/51/18/03/866511803.db2.gz KVALXGYNEORZOR-CABCVRRESA-N 2 2 304.438 1.896 20 30 DDEDLP C=C(C)CC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001324340730 867216591 /nfs/dbraw/zinc/21/65/91/867216591.db2.gz YTNHMDQQFOJYMI-UHFFFAOYSA-N 2 2 304.438 1.900 20 30 DDEDLP CC#CC[NH+]1CCC(C)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001324897870 867612008 /nfs/dbraw/zinc/61/20/08/867612008.db2.gz RWSXMPJNGZHPIZ-UHFFFAOYSA-N 2 2 302.422 1.502 20 30 DDEDLP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001162992069 867979653 /nfs/dbraw/zinc/97/96/53/867979653.db2.gz CAPBEABCUINAKK-UHFFFAOYSA-N 2 2 324.428 1.555 20 30 DDEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165838272 869732387 /nfs/dbraw/zinc/73/23/87/869732387.db2.gz YHHKAWYXZJHMIF-OAHLLOKOSA-N 2 2 314.433 1.345 20 30 DDEDLP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790241 871507186 /nfs/dbraw/zinc/50/71/86/871507186.db2.gz UKRSESKIPFEGNB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317790241 871507197 /nfs/dbraw/zinc/50/71/97/871507197.db2.gz UKRSESKIPFEGNB-CVEARBPZSA-N 2 2 316.449 1.850 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487730 871580852 /nfs/dbraw/zinc/58/08/52/871580852.db2.gz KDFYWYPCZGSHFY-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487730 871580868 /nfs/dbraw/zinc/58/08/68/871580868.db2.gz KDFYWYPCZGSHFY-HUUCEWRRSA-N 2 2 302.422 1.918 20 30 DDEDLP CC[C@@H](C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001318155802 871785496 /nfs/dbraw/zinc/78/54/96/871785496.db2.gz ULIZDHJMBMTGEA-SFHVURJKSA-N 2 2 313.445 1.426 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001316700880 871883487 /nfs/dbraw/zinc/88/34/87/871883487.db2.gz WIVKQRJJJXZMEJ-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001316700880 871883505 /nfs/dbraw/zinc/88/35/05/871883505.db2.gz WIVKQRJJJXZMEJ-ZBFHGGJFSA-N 2 2 302.422 1.582 20 30 DDEDLP C#CC[NH2+]C[C@@](C)(NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001318700404 872213358 /nfs/dbraw/zinc/21/33/58/872213358.db2.gz CLOXZQBQVFOGCU-QGZVFWFLSA-N 2 2 301.390 1.140 20 30 DDEDLP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001316896613 872268207 /nfs/dbraw/zinc/26/82/07/872268207.db2.gz WNVCPRLBXXDUSL-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001316896613 872268223 /nfs/dbraw/zinc/26/82/23/872268223.db2.gz WNVCPRLBXXDUSL-HNNXBMFYSA-N 2 2 304.438 1.850 20 30 DDEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216397269 876932321 /nfs/dbraw/zinc/93/23/21/876932321.db2.gz OZWGDUJZOMYBEF-ZIAGYGMSSA-N 2 2 320.437 1.326 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001276779248 877440612 /nfs/dbraw/zinc/44/06/12/877440612.db2.gz QLXBFWLGRUJCQM-HOCLYGCPSA-N 2 2 320.437 1.514 20 30 DDEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001276779248 877440615 /nfs/dbraw/zinc/44/06/15/877440615.db2.gz QLXBFWLGRUJCQM-HOCLYGCPSA-N 2 2 320.437 1.514 20 30 DDEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001219518345 878289732 /nfs/dbraw/zinc/28/97/32/878289732.db2.gz HDGFRKNPEKFSET-AWEZNQCLSA-N 2 2 301.325 1.134 20 30 DDEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106033 878704986 /nfs/dbraw/zinc/70/49/86/878704986.db2.gz XTUMPXIKMWHRGG-CVEARBPZSA-N 2 2 322.453 1.405 20 30 DDEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106033 878704993 /nfs/dbraw/zinc/70/49/93/878704993.db2.gz XTUMPXIKMWHRGG-CVEARBPZSA-N 2 2 322.453 1.405 20 30 DDEDLP N#Cc1cccc2c(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c[nH]c21 ZINC001222497294 880508860 /nfs/dbraw/zinc/50/88/60/880508860.db2.gz BEKXOQNQSCQEFN-IRXDYDNUSA-N 2 2 309.417 1.565 20 30 DDEDLP N#Cc1cccc2c(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c[nH]c21 ZINC001222497294 880508866 /nfs/dbraw/zinc/50/88/66/880508866.db2.gz BEKXOQNQSCQEFN-IRXDYDNUSA-N 2 2 309.417 1.565 20 30 DDEDLP C=CCOCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229384912 883953978 /nfs/dbraw/zinc/95/39/78/883953978.db2.gz LSHXOVFFVALATL-OAHLLOKOSA-N 2 2 320.437 1.617 20 30 DDEDLP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013135 887557438 /nfs/dbraw/zinc/55/74/38/887557438.db2.gz UFTFWBWWTXDZQH-AWEZNQCLSA-N 2 2 306.410 1.078 20 30 DDEDLP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234013135 887557445 /nfs/dbraw/zinc/55/74/45/887557445.db2.gz UFTFWBWWTXDZQH-AWEZNQCLSA-N 2 2 306.410 1.078 20 30 DDEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001278184890 890017477 /nfs/dbraw/zinc/01/74/77/890017477.db2.gz VDFLUGRQWKDRER-UHFFFAOYSA-N 2 2 316.449 1.925 20 30 DDEDLP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001278570060 894291738 /nfs/dbraw/zinc/29/17/38/894291738.db2.gz CHFACTHYUAYASH-HIFRSBDPSA-N 2 2 303.406 1.693 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262569383 900252716 /nfs/dbraw/zinc/25/27/16/900252716.db2.gz XGPLJKJWRMSQSM-INIZCTEOSA-N 2 2 303.362 1.315 20 30 DDEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264006812 900869331 /nfs/dbraw/zinc/86/93/31/900869331.db2.gz LWVSMUDGPUOKNZ-HIFRSBDPSA-N 2 2 302.422 1.501 20 30 DDEDLP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266075324 902893576 /nfs/dbraw/zinc/89/35/76/902893576.db2.gz LSMZIFBEBAXQIV-GJZGRUSLSA-N 2 2 302.422 1.393 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001279317804 903218135 /nfs/dbraw/zinc/21/81/35/903218135.db2.gz FPZDZBZPHCLTPT-INIZCTEOSA-N 2 2 324.428 1.840 20 30 DDEDLP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001279317804 903218143 /nfs/dbraw/zinc/21/81/43/903218143.db2.gz FPZDZBZPHCLTPT-INIZCTEOSA-N 2 2 324.428 1.840 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001280218145 903555234 /nfs/dbraw/zinc/55/52/34/903555234.db2.gz BKTHBBZKSIZXPB-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001280218145 903555242 /nfs/dbraw/zinc/55/52/42/903555242.db2.gz BKTHBBZKSIZXPB-GJZGRUSLSA-N 2 2 302.422 1.440 20 30 DDEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392601616 904580847 /nfs/dbraw/zinc/58/08/47/904580847.db2.gz CIQJVAFBIXLGKK-NSHDSACASA-N 2 2 315.352 1.257 20 30 DDEDLP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001281497016 904937766 /nfs/dbraw/zinc/93/77/66/904937766.db2.gz DXWQODGUYUKVBY-HNNXBMFYSA-N 2 2 314.433 1.440 20 30 DDEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001281726581 905184746 /nfs/dbraw/zinc/18/47/46/905184746.db2.gz YOAJQMKPZBOFPF-JKSUJKDBSA-N 2 2 304.438 1.978 20 30 DDEDLP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001283449626 907370123 /nfs/dbraw/zinc/37/01/23/907370123.db2.gz NHZMFDGVNPMGSP-JKSUJKDBSA-N 2 2 316.449 1.589 20 30 DDEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665252 907767609 /nfs/dbraw/zinc/76/76/09/907767609.db2.gz JGDMAGYJABTXEN-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283665252 907767617 /nfs/dbraw/zinc/76/76/17/907767617.db2.gz JGDMAGYJABTXEN-NVXWUHKLSA-N 2 2 321.465 1.090 20 30 DDEDLP C=CCC[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283773022 907936428 /nfs/dbraw/zinc/93/64/28/907936428.db2.gz VSEABTFHIMMBMS-GXTWGEPZSA-N 2 2 316.405 1.598 20 30 DDEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC001283884642 908129906 /nfs/dbraw/zinc/12/99/06/908129906.db2.gz LVDLAKNUNJTOMZ-DZGCQCFKSA-N 2 2 301.390 1.235 20 30 DDEDLP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001283904395 908163501 /nfs/dbraw/zinc/16/35/01/908163501.db2.gz FUEILEZAVCLLHP-HUUCEWRRSA-N 2 2 304.438 1.898 20 30 DDEDLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001393973861 908426220 /nfs/dbraw/zinc/42/62/20/908426220.db2.gz GDQSWJMPAHEEJY-GHMZBOCLSA-N 2 2 317.418 1.568 20 30 DDEDLP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001284774396 909475278 /nfs/dbraw/zinc/47/52/78/909475278.db2.gz UWDROYYRPUOHBP-HLIUYOAVSA-N 2 2 302.422 1.601 20 30 DDEDLP C=C(C)C[NH2+]CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284870528 909603714 /nfs/dbraw/zinc/60/37/14/909603714.db2.gz QZFYPSQWPHSYSI-UHFFFAOYSA-N 2 2 316.405 1.817 20 30 DDEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001316638281 910284582 /nfs/dbraw/zinc/28/45/82/910284582.db2.gz QOANEOQRXRNTDQ-SHTZXODSSA-N 2 2 310.401 1.303 20 30 DDEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001377017633 920100076 /nfs/dbraw/zinc/10/00/76/920100076.db2.gz LGBLKJSCWUBJQV-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001377017633 920100089 /nfs/dbraw/zinc/10/00/89/920100089.db2.gz LGBLKJSCWUBJQV-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001377017633 920100096 /nfs/dbraw/zinc/10/00/96/920100096.db2.gz LGBLKJSCWUBJQV-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001377017633 920100109 /nfs/dbraw/zinc/10/01/09/920100109.db2.gz LGBLKJSCWUBJQV-CQSZACIVSA-N 2 2 317.861 1.240 20 30 DDEDLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262607 920823400 /nfs/dbraw/zinc/82/34/00/920823400.db2.gz XEHIHTNXQRPGHH-CQSZACIVSA-N 2 2 318.396 1.197 20 30 DDEDLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262607 920823410 /nfs/dbraw/zinc/82/34/10/920823410.db2.gz XEHIHTNXQRPGHH-CQSZACIVSA-N 2 2 318.396 1.197 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262607 920823417 /nfs/dbraw/zinc/82/34/17/920823417.db2.gz XEHIHTNXQRPGHH-CQSZACIVSA-N 2 2 318.396 1.197 20 30 DDEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(C#N)ccc1F ZINC001377262607 920823427 /nfs/dbraw/zinc/82/34/27/920823427.db2.gz XEHIHTNXQRPGHH-CQSZACIVSA-N 2 2 318.396 1.197 20 30 DDEDLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272627493 210027236 /nfs/dbraw/zinc/02/72/36/210027236.db2.gz XGOUSIDGEZQBDM-MRXNPFEDSA-N 2 2 309.373 1.577 20 30 DDEDLP C#CCC[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000064443945 352937159 /nfs/dbraw/zinc/93/71/59/352937159.db2.gz RWHIEFKNZLGGGE-UHFFFAOYSA-N 2 2 310.401 1.512 20 30 DDEDLP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000174417589 198332517 /nfs/dbraw/zinc/33/25/17/198332517.db2.gz VGZBWCKUDHEVIJ-CQSZACIVSA-N 2 2 303.406 1.625 20 30 DDEDLP N#CC[C@@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000592154576 355519664 /nfs/dbraw/zinc/51/96/64/355519664.db2.gz UHIBDNZVMKNUAB-GOSISDBHSA-N 2 2 315.417 1.369 20 30 DDEDLP N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000592154576 355519665 /nfs/dbraw/zinc/51/96/65/355519665.db2.gz UHIBDNZVMKNUAB-GOSISDBHSA-N 2 2 315.417 1.369 20 30 DDEDLP Cn1cc[nH+]c1CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595313130 356444319 /nfs/dbraw/zinc/44/43/19/356444319.db2.gz WOBNDCMOUGWQFN-UHFFFAOYSA-N 2 2 309.417 1.652 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@](C)(C#N)C3)C2)CC1 ZINC000595519366 356530494 /nfs/dbraw/zinc/53/04/94/356530494.db2.gz XIRRKWAGAOPWGD-YOEHRIQHSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@](C)(C#N)C3)C2)CC1 ZINC000595519366 356530499 /nfs/dbraw/zinc/53/04/99/356530499.db2.gz XIRRKWAGAOPWGD-YOEHRIQHSA-N 2 2 319.453 1.100 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596926125 357015954 /nfs/dbraw/zinc/01/59/54/357015954.db2.gz MKMKONWCFRRENR-CYBMUJFWSA-N 2 2 303.410 1.209 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596926125 357015957 /nfs/dbraw/zinc/01/59/57/357015957.db2.gz MKMKONWCFRRENR-CYBMUJFWSA-N 2 2 303.410 1.209 20 30 DDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000597942985 357392415 /nfs/dbraw/zinc/39/24/15/357392415.db2.gz SADXXJXSRLLGJS-ZDUSSCGKSA-N 2 2 318.421 1.266 20 30 DDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000597942985 357392419 /nfs/dbraw/zinc/39/24/19/357392419.db2.gz SADXXJXSRLLGJS-ZDUSSCGKSA-N 2 2 318.421 1.266 20 30 DDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C#N)CC4(CC4)C3)C2)CC1 ZINC000601158197 358425542 /nfs/dbraw/zinc/42/55/42/358425542.db2.gz OOYVQSCBIVMLCL-CQSZACIVSA-N 2 2 316.449 1.355 20 30 DDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C#N)CC4(CC4)C3)C2)CC1 ZINC000601158197 358425548 /nfs/dbraw/zinc/42/55/48/358425548.db2.gz OOYVQSCBIVMLCL-CQSZACIVSA-N 2 2 316.449 1.355 20 30 DDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917241 209322646 /nfs/dbraw/zinc/32/26/46/209322646.db2.gz ZBRALFITVRIQCN-BBRMVZONSA-N 2 2 300.406 1.549 20 30 DDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(C#N)c1 ZINC000271917241 209322649 /nfs/dbraw/zinc/32/26/49/209322649.db2.gz ZBRALFITVRIQCN-BBRMVZONSA-N 2 2 300.406 1.549 20 30 DDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373640145 223665748 /nfs/dbraw/zinc/66/57/48/223665748.db2.gz SJTADYLFFPJHMQ-AWEZNQCLSA-N 2 2 303.410 1.139 20 30 DDEDLP COc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1C#N ZINC000423129293 227369682 /nfs/dbraw/zinc/36/96/82/227369682.db2.gz WWJNSFBINDONCA-IAGOWNOFSA-N 2 2 301.390 1.423 20 30 DDEDLP C#CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001120501866 781988816 /nfs/dbraw/zinc/98/88/16/781988816.db2.gz ZBEKPBLBONFWEX-LLVKDONJSA-N 2 2 314.298 1.622 20 30 DDEDLP C[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000329805148 533362559 /nfs/dbraw/zinc/36/25/59/533362559.db2.gz AKVXFEIRAPEVFO-AWEZNQCLSA-N 2 2 305.426 1.733 20 30 DDEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110203 406956286 /nfs/dbraw/zinc/95/62/86/406956286.db2.gz QQOFCKNCZXKETJ-INIZCTEOSA-N 2 2 300.406 1.080 20 30 DDEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110203 406956288 /nfs/dbraw/zinc/95/62/88/406956288.db2.gz QQOFCKNCZXKETJ-INIZCTEOSA-N 2 2 300.406 1.080 20 30 DDEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110203 406956289 /nfs/dbraw/zinc/95/62/89/406956289.db2.gz QQOFCKNCZXKETJ-INIZCTEOSA-N 2 2 300.406 1.080 20 30 DDEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110203 406956291 /nfs/dbraw/zinc/95/62/91/406956291.db2.gz QQOFCKNCZXKETJ-INIZCTEOSA-N 2 2 300.406 1.080 20 30 DDEDLP C[N@H+](CC(=O)NCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480943 407585377 /nfs/dbraw/zinc/58/53/77/407585377.db2.gz LTCUPLNEOOHVPF-UHFFFAOYSA-N 2 2 300.406 1.223 20 30 DDEDLP C[N@@H+](CC(=O)NCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480943 407585385 /nfs/dbraw/zinc/58/53/85/407585385.db2.gz LTCUPLNEOOHVPF-UHFFFAOYSA-N 2 2 300.406 1.223 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000180033269 407847431 /nfs/dbraw/zinc/84/74/31/407847431.db2.gz IKCFOEHDOHIXKD-ZBFHGGJFSA-N 2 2 302.422 1.184 20 30 DDEDLP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180033269 407847436 /nfs/dbraw/zinc/84/74/36/407847436.db2.gz IKCFOEHDOHIXKD-ZBFHGGJFSA-N 2 2 302.422 1.184 20 30 DDEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268676384 408151769 /nfs/dbraw/zinc/15/17/69/408151769.db2.gz VUJPAZLCAAGIDL-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268676384 408151775 /nfs/dbraw/zinc/15/17/75/408151775.db2.gz VUJPAZLCAAGIDL-QGZVFWFLSA-N 2 2 313.449 1.950 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995499 408376704 /nfs/dbraw/zinc/37/67/04/408376704.db2.gz BDDKABPONCFQPF-BVIKNXMNSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158995499 408376708 /nfs/dbraw/zinc/37/67/08/408376708.db2.gz BDDKABPONCFQPF-BVIKNXMNSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158995499 408376710 /nfs/dbraw/zinc/37/67/10/408376710.db2.gz BDDKABPONCFQPF-BVIKNXMNSA-N 2 2 320.481 1.845 20 30 DDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995499 408376714 /nfs/dbraw/zinc/37/67/14/408376714.db2.gz BDDKABPONCFQPF-BVIKNXMNSA-N 2 2 320.481 1.845 20 30 DDEDLP Cn1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000177242353 408561442 /nfs/dbraw/zinc/56/14/42/408561442.db2.gz AXEFQNJTWZEIRZ-UHFFFAOYSA-N 2 2 309.417 2.000 20 30 DDEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328802775 409981031 /nfs/dbraw/zinc/98/10/31/409981031.db2.gz GVQGYHFWTMYYIH-INIZCTEOSA-N 2 2 319.453 1.769 20 30 DDEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329744900 410430442 /nfs/dbraw/zinc/43/04/42/410430442.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329744900 410430446 /nfs/dbraw/zinc/43/04/46/410430446.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 2 2 305.426 1.596 20 30 DDEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949027 410494378 /nfs/dbraw/zinc/49/43/78/410494378.db2.gz LFJXZZOLTSMZKK-FMKPAKJESA-N 2 2 317.437 1.917 20 30 DDEDLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329949027 410494383 /nfs/dbraw/zinc/49/43/83/410494383.db2.gz LFJXZZOLTSMZKK-FMKPAKJESA-N 2 2 317.437 1.917 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352853768 410679872 /nfs/dbraw/zinc/67/98/72/410679872.db2.gz OIJOIGBFIUQGFI-CYBMUJFWSA-N 2 2 321.450 1.047 20 30 DDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352853768 410679877 /nfs/dbraw/zinc/67/98/77/410679877.db2.gz OIJOIGBFIUQGFI-CYBMUJFWSA-N 2 2 321.450 1.047 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352853769 410681474 /nfs/dbraw/zinc/68/14/74/410681474.db2.gz OIJOIGBFIUQGFI-ZDUSSCGKSA-N 2 2 321.450 1.047 20 30 DDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352853769 410681477 /nfs/dbraw/zinc/68/14/77/410681477.db2.gz OIJOIGBFIUQGFI-ZDUSSCGKSA-N 2 2 321.450 1.047 20 30 DDEDLP N#CC1(CCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000366896129 418534009 /nfs/dbraw/zinc/53/40/09/418534009.db2.gz LMJGIIPHQAJSDX-QGZVFWFLSA-N 2 2 321.465 1.741 20 30 DDEDLP N#CC1(CCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000366896129 418534011 /nfs/dbraw/zinc/53/40/11/418534011.db2.gz LMJGIIPHQAJSDX-QGZVFWFLSA-N 2 2 321.465 1.741 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160434 222220821 /nfs/dbraw/zinc/22/08/21/222220821.db2.gz HPOARNRDHJEHEH-SJORKVTESA-N 2 2 305.466 1.993 20 30 DDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246160434 222220824 /nfs/dbraw/zinc/22/08/24/222220824.db2.gz HPOARNRDHJEHEH-SJORKVTESA-N 2 2 305.466 1.993 20 30 DDEDLP COc1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000262510841 222284450 /nfs/dbraw/zinc/28/44/50/222284450.db2.gz CYFQAFMNJCUPDR-UHFFFAOYSA-N 2 2 302.382 1.422 20 30 DDEDLP CCCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264103904 222318326 /nfs/dbraw/zinc/31/83/26/222318326.db2.gz NFQYURAVMWLTBN-INIZCTEOSA-N 2 2 304.438 1.592 20 30 DDEDLP CCCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264103904 222318330 /nfs/dbraw/zinc/31/83/30/222318330.db2.gz NFQYURAVMWLTBN-INIZCTEOSA-N 2 2 304.438 1.592 20 30 DDEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000362318956 418752478 /nfs/dbraw/zinc/75/24/78/418752478.db2.gz MCJUKTCZCOJEMI-IXDOHACOSA-N 2 2 312.417 1.501 20 30 DDEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000362318956 418752480 /nfs/dbraw/zinc/75/24/80/418752480.db2.gz MCJUKTCZCOJEMI-IXDOHACOSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000362318956 418752483 /nfs/dbraw/zinc/75/24/83/418752483.db2.gz MCJUKTCZCOJEMI-IXDOHACOSA-N 2 2 312.417 1.501 20 30 DDEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000362318956 418752486 /nfs/dbraw/zinc/75/24/86/418752486.db2.gz MCJUKTCZCOJEMI-IXDOHACOSA-N 2 2 312.417 1.501 20 30 DDEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000424153707 228237115 /nfs/dbraw/zinc/23/71/15/228237115.db2.gz KXTVMHPZCYBJMY-MRXNPFEDSA-N 2 2 316.405 1.478 20 30 DDEDLP COCC(COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449541162 421023769 /nfs/dbraw/zinc/02/37/69/421023769.db2.gz KAWYEUMDJUBSCP-UHFFFAOYSA-N 2 2 317.433 1.774 20 30 DDEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411162062 276755727 /nfs/dbraw/zinc/75/57/27/276755727.db2.gz GENLNMRAHWLXTO-UHFFFAOYSA-N 2 2 306.454 1.556 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157274677 279172115 /nfs/dbraw/zinc/17/21/15/279172115.db2.gz IHLROCAPDOSTOL-INIZCTEOSA-N 2 2 306.454 1.699 20 30 DDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157274677 279172117 /nfs/dbraw/zinc/17/21/17/279172117.db2.gz IHLROCAPDOSTOL-INIZCTEOSA-N 2 2 306.454 1.699 20 30 DDEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310033303 333216308 /nfs/dbraw/zinc/21/63/08/333216308.db2.gz YZDPGZPYIFZAKO-SJORKVTESA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310033303 333216309 /nfs/dbraw/zinc/21/63/09/333216309.db2.gz YZDPGZPYIFZAKO-SJORKVTESA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310033303 333216310 /nfs/dbraw/zinc/21/63/10/333216310.db2.gz YZDPGZPYIFZAKO-SJORKVTESA-N 2 2 312.417 1.080 20 30 DDEDLP N#CCNC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310033303 333216311 /nfs/dbraw/zinc/21/63/11/333216311.db2.gz YZDPGZPYIFZAKO-SJORKVTESA-N 2 2 312.417 1.080 20 30 DDEDLP C[C@@H]1CN(C(=O)NCCCC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345808345 534311080 /nfs/dbraw/zinc/31/10/80/534311080.db2.gz BHWDGFMDXBEEMG-CQSZACIVSA-N 2 2 307.442 1.100 20 30 DDEDLP C[C@@H]1CN(C(=O)NCCCC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345808345 534311081 /nfs/dbraw/zinc/31/10/81/534311081.db2.gz BHWDGFMDXBEEMG-CQSZACIVSA-N 2 2 307.442 1.100 20 30 DDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000491473305 526810260 /nfs/dbraw/zinc/81/02/60/526810260.db2.gz CEZWFRNNYWCNJU-OAHLLOKOSA-N 2 2 303.410 1.012 20 30 DDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000491473305 526810267 /nfs/dbraw/zinc/81/02/67/526810267.db2.gz CEZWFRNNYWCNJU-OAHLLOKOSA-N 2 2 303.410 1.012 20 30 DDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000330853492 527828650 /nfs/dbraw/zinc/82/86/50/527828650.db2.gz GPKBVBVRVCIUPP-OLZOCXBDSA-N 2 2 312.458 1.620 20 30 DDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000330853492 527828657 /nfs/dbraw/zinc/82/86/57/527828657.db2.gz GPKBVBVRVCIUPP-OLZOCXBDSA-N 2 2 312.458 1.620 20 30 DDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000330853492 527828660 /nfs/dbraw/zinc/82/86/60/527828660.db2.gz GPKBVBVRVCIUPP-OLZOCXBDSA-N 2 2 312.458 1.620 20 30 DDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC000330853492 527828668 /nfs/dbraw/zinc/82/86/68/527828668.db2.gz GPKBVBVRVCIUPP-OLZOCXBDSA-N 2 2 312.458 1.620 20 30 DDEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924416 696970569 /nfs/dbraw/zinc/97/05/69/696970569.db2.gz LJISNMGSGZYLFA-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000981924416 696970570 /nfs/dbraw/zinc/97/05/70/696970570.db2.gz LJISNMGSGZYLFA-UHFFFAOYSA-N 2 2 302.422 1.774 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000981963556 696988070 /nfs/dbraw/zinc/98/80/70/696988070.db2.gz FRNPAORHHDRFLR-UHFFFAOYSA-N 2 2 316.405 1.052 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000981963556 696988073 /nfs/dbraw/zinc/98/80/73/696988073.db2.gz FRNPAORHHDRFLR-UHFFFAOYSA-N 2 2 316.405 1.052 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000981211268 697035845 /nfs/dbraw/zinc/03/58/45/697035845.db2.gz LQZMGOORJPMSBX-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CC[NH+]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000981211268 697035847 /nfs/dbraw/zinc/03/58/47/697035847.db2.gz LQZMGOORJPMSBX-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CC[N@H+]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211268 697035851 /nfs/dbraw/zinc/03/58/51/697035851.db2.gz LQZMGOORJPMSBX-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP C=CC[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC1 ZINC000981211268 697035853 /nfs/dbraw/zinc/03/58/53/697035853.db2.gz LQZMGOORJPMSBX-INIZCTEOSA-N 2 2 317.437 1.510 20 30 DDEDLP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982600063 697156400 /nfs/dbraw/zinc/15/64/00/697156400.db2.gz SQULRMYMMFTIQF-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982600063 697156402 /nfs/dbraw/zinc/15/64/02/697156402.db2.gz SQULRMYMMFTIQF-CALCHBBNSA-N 2 2 300.406 1.146 20 30 DDEDLP COc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000303785476 698606864 /nfs/dbraw/zinc/60/68/64/698606864.db2.gz QMEAWBZMKHEHKZ-INIZCTEOSA-N 2 2 320.437 1.779 20 30 DDEDLP C#CC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458766 698630660 /nfs/dbraw/zinc/63/06/60/698630660.db2.gz ORNZSXCVPDGQIZ-LJQANCHMSA-N 2 2 313.445 1.631 20 30 DDEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000989458766 698630661 /nfs/dbraw/zinc/63/06/61/698630661.db2.gz ORNZSXCVPDGQIZ-LJQANCHMSA-N 2 2 313.445 1.631 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106187 699501679 /nfs/dbraw/zinc/50/16/79/699501679.db2.gz VVLHQQUESHEXRD-TWMKSMIVSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106187 699501681 /nfs/dbraw/zinc/50/16/81/699501681.db2.gz VVLHQQUESHEXRD-TWMKSMIVSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106187 699501682 /nfs/dbraw/zinc/50/16/82/699501682.db2.gz VVLHQQUESHEXRD-TWMKSMIVSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106187 699501684 /nfs/dbraw/zinc/50/16/84/699501684.db2.gz VVLHQQUESHEXRD-TWMKSMIVSA-N 2 2 305.466 1.567 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000730275670 699505680 /nfs/dbraw/zinc/50/56/80/699505680.db2.gz RXEQSTRNTPYFBW-SFHVURJKSA-N 2 2 311.429 1.259 20 30 DDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000730275670 699505681 /nfs/dbraw/zinc/50/56/81/699505681.db2.gz RXEQSTRNTPYFBW-SFHVURJKSA-N 2 2 311.429 1.259 20 30 DDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000730275670 699505683 /nfs/dbraw/zinc/50/56/83/699505683.db2.gz RXEQSTRNTPYFBW-SFHVURJKSA-N 2 2 311.429 1.259 20 30 DDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000730275670 699505685 /nfs/dbraw/zinc/50/56/85/699505685.db2.gz RXEQSTRNTPYFBW-SFHVURJKSA-N 2 2 311.429 1.259 20 30 DDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000848412446 703547710 /nfs/dbraw/zinc/54/77/10/703547710.db2.gz RIMKPDZLDMZTLT-MRXNPFEDSA-N 2 2 311.389 1.900 20 30 DDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000848412445 703547725 /nfs/dbraw/zinc/54/77/25/703547725.db2.gz RIMKPDZLDMZTLT-INIZCTEOSA-N 2 2 311.389 1.900 20 30 DDEDLP CON(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000850478468 703733176 /nfs/dbraw/zinc/73/31/76/703733176.db2.gz BJROXEJUZMIHHK-UHFFFAOYSA-N 2 2 302.422 1.605 20 30 DDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccccc1C#N ZINC000855416576 704484548 /nfs/dbraw/zinc/48/45/48/704484548.db2.gz OOEMHTXYJMIZDC-MDZDMXLPSA-N 2 2 314.433 1.571 20 30 DDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccccc1C#N ZINC000855416576 704484549 /nfs/dbraw/zinc/48/45/49/704484549.db2.gz OOEMHTXYJMIZDC-MDZDMXLPSA-N 2 2 314.433 1.571 20 30 DDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000876767902 705866794 /nfs/dbraw/zinc/86/67/94/705866794.db2.gz DUZDPEWBNKWOOL-ZDUSSCGKSA-N 2 2 306.797 1.771 20 30 DDEDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000883160034 707943527 /nfs/dbraw/zinc/94/35/27/707943527.db2.gz COUJNYBPQDQRHX-QGZVFWFLSA-N 2 2 318.465 1.807 20 30 DDEDLP C#CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000886573528 708779147 /nfs/dbraw/zinc/77/91/47/708779147.db2.gz MHGGAWBWHCVKMY-UHFFFAOYSA-N 2 2 314.433 1.318 20 30 DDEDLP C=C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000892522258 710451213 /nfs/dbraw/zinc/45/12/13/710451213.db2.gz VIRIRNXJXKRAIV-UHFFFAOYSA-N 2 2 320.481 1.907 20 30 DDEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880472 710942305 /nfs/dbraw/zinc/94/23/05/710942305.db2.gz IVBHAPICIGUEGB-VHSSKADRSA-N 2 2 314.433 1.982 20 30 DDEDLP N#CC1CCC(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000930073349 713749873 /nfs/dbraw/zinc/74/98/73/713749873.db2.gz ZITPLMANXMDYCV-VMBOVVBDSA-N 2 2 318.465 1.730 20 30 DDEDLP N#CC1CCC(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000930073349 713749876 /nfs/dbraw/zinc/74/98/76/713749876.db2.gz ZITPLMANXMDYCV-VMBOVVBDSA-N 2 2 318.465 1.730 20 30 DDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000923399485 714342084 /nfs/dbraw/zinc/34/20/84/714342084.db2.gz QHDHDBAHBPRXMB-HOCLYGCPSA-N 2 2 301.390 1.172 20 30 DDEDLP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000964089453 717997689 /nfs/dbraw/zinc/99/76/89/717997689.db2.gz JTRNACIJYMETMC-RWQKBRBCSA-N 2 2 314.433 1.649 20 30 DDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850588 716991900 /nfs/dbraw/zinc/99/19/00/716991900.db2.gz IICQSPFVYUBOPE-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850588 716991904 /nfs/dbraw/zinc/99/19/04/716991904.db2.gz IICQSPFVYUBOPE-GJZGRUSLSA-N 2 2 314.433 1.295 20 30 DDEDLP